#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyl s VAL 2 N 0.00 3.64 -0.67 3.17 1.01 -1.26 -4.80 120.40 121.48 3kyl s VAL 2 Ca 0.00 0.47 0.22 0.00 0.00 0.00 0.00 61.98 62.66 3kyl s VAL 2 Cb 0.00 -4.39 -0.25 0.00 0.00 0.00 0.00 36.38 31.74 3kyl s VAL 2 CO 0.00 -1.24 0.79 1.41 0.00 0.00 0.00 175.10 176.06 3kyl n HIS 3 N 10.44 0.02 -4.06 5.22 8.25 -1.26 -4.94 115.22 128.89 3kyl n HIS 3 Ca 0.13 0.01 -0.33 0.00 -0.26 0.00 0.00 57.72 57.27 3kyl n HIS 3 Cb 0.50 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.35 3kyl n HIS 3 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kyl s TYR 4 N -3.18 3.31 -0.13 4.41 4.12 -1.26 -2.02 117.35 122.62 3kyl s TYR 4 Ca 0.03 0.21 0.01 0.00 0.02 0.00 0.00 57.07 57.34 3kyl s TYR 4 Cb 0.15 -1.73 0.02 0.00 -1.52 0.00 0.00 41.96 38.88 3kyl s TYR 4 CO 0.87 0.56 -0.15 -0.47 0.02 0.00 0.00 175.55 176.38 3kyl s TYR 5 N -1.25 2.10 0.16 2.71 5.04 -0.04 -4.79 117.35 121.29 3kyl s TYR 5 Ca 0.25 -1.07 -0.30 0.00 -2.44 0.00 0.00 57.07 53.51 3kyl s TYR 5 Cb -0.12 -1.52 -0.07 0.00 0.35 0.00 0.00 41.96 40.60 3kyl s TYR 5 CO 0.16 -0.56 1.11 1.03 -1.34 0.00 0.00 175.55 175.95 3kyl s ARG 6 N 1.15 4.58 0.00 4.97 0.52 -1.26 -2.10 118.95 126.81 3kyl s ARG 6 Ca -0.03 1.72 0.31 0.00 -0.52 0.00 0.00 55.73 57.21 3kyl s ARG 6 Cb -0.14 -3.29 1.60 0.00 0.52 0.00 0.00 34.95 33.64 3kyl s ARG 6 CO -0.05 0.04 2.09 1.28 0.02 0.00 0.00 175.30 178.68 3kyl n LEU 7 N 2.54 0.02 -4.74 2.53 4.77 -0.92 -4.91 117.00 116.28 3kyl n LEU 7 Ca 0.03 0.21 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 3kyl n LEU 7 Cb 0.46 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 3kyl n LEU 7 CO 0.54 0.00 0.84 -0.55 -1.33 0.00 0.00 177.39 176.89 3kyl s SER 8 N -2.44 4.89 -0.18 -1.43 0.15 -1.26 -4.89 113.70 108.55 3kyl s SER 8 Ca 0.33 2.41 0.05 0.00 0.70 0.00 0.00 55.95 59.44 3kyl s SER 8 Cb 0.21 -2.60 0.39 0.00 -1.71 0.00 0.00 66.02 62.31 3kyl s SER 8 CO 0.44 -1.80 1.31 0.18 1.20 0.00 0.00 173.24 174.57 3kyl n LEU 9 N -1.90 4.18 -0.36 3.45 4.32 -1.26 -3.29 117.00 122.15 3kyl n LEU 9 Ca 0.14 -2.16 0.06 0.00 -0.02 0.00 0.00 56.01 54.03 3kyl n LEU 9 Cb 0.50 -0.64 0.02 0.00 -1.62 0.00 0.00 43.42 41.68 3kyl n LEU 9 CO 0.46 0.61 0.31 0.29 -1.22 0.00 0.00 177.39 177.83 3kyl n LYS 10 N -0.00 1.55 0.00 3.23 5.02 -1.26 -4.33 118.16 122.37 3kyl n LYS 10 Ca 0.22 -0.88 0.14 0.00 -2.02 0.00 0.00 58.31 55.77 3kyl n LYS 10 Cb 0.92 -1.18 0.57 0.00 -0.02 0.00 0.00 35.03 35.31 3kyl n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kyl n SER 11 N 0.11 0.25 -4.70 4.39 2.88 -1.21 -4.91 113.62 110.42 3kyl n SER 11 Ca 0.06 -0.07 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 3kyl n SER 11 Cb 0.28 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 3kyl n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kyl s ARG 12 N -2.77 4.26 0.10 -1.46 1.70 -1.26 -4.92 118.95 114.61 3kyl s ARG 12 Ca 0.20 2.16 0.04 0.00 -0.47 0.00 0.00 55.73 57.66 3kyl s ARG 12 Cb 0.19 -3.40 -0.04 0.00 -0.57 0.00 0.00 34.95 31.13 3kyl s ARG 12 CO 0.54 -0.57 0.09 1.14 -1.08 0.00 0.00 175.30 175.42 3kyl s GLN 13 N 1.80 2.87 0.13 3.89 -2.07 -1.00 -5.06 119.66 120.22 3kyl s GLN 13 Ca 0.68 -0.75 -0.31 0.00 -1.82 0.00 0.00 55.36 53.16 3kyl s GLN 13 Cb -0.37 -2.69 -0.08 0.00 -1.09 0.00 0.00 33.01 28.78 3kyl s GLN 13 CO 0.30 0.54 1.34 0.15 -1.32 0.00 0.00 175.29 176.30 3kyl s LYS 14 N -2.59 4.36 0.07 9.60 3.01 -1.26 -4.27 119.74 128.65 3kyl s LYS 14 Ca 0.30 2.02 -0.30 0.00 -1.01 0.00 0.00 55.97 56.97 3kyl s LYS 14 Cb -0.12 -3.25 -0.05 0.00 -1.01 0.00 0.00 37.83 33.41 3kyl s LYS 14 CO 0.22 -0.36 1.00 0.00 0.51 0.00 0.00 175.35 176.72 3kyl s ALA 15 N 0.84 3.23 0.79 5.17 0.00 -1.26 -5.02 121.76 125.51 3kyl s ALA 15 Ca 0.62 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 3kyl s ALA 15 Cb -0.36 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.51 3kyl s ALA 15 CO 0.32 -0.15 1.09 -2.14 0.00 0.00 0.00 175.76 174.88 3kyl s PRO 16 N 0.43 2.14 0.11 0.00 0.02 -1.26 -4.99 135.00 131.45 3kyl s PRO 16 Ca 0.50 1.00 -0.17 0.00 0.02 0.00 0.00 61.00 62.34 3kyl s PRO 16 Cb -0.23 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 3kyl s PRO 16 CO 0.29 -1.67 1.60 0.87 -0.33 0.00 0.00 177.00 177.76 3kyl h LYS 17 N -1.14 0.52 0.00 5.54 1.57 -1.98 -3.45 116.57 117.62 3kyl h LYS 17 Ca -0.45 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 3kyl h LYS 17 Cb 1.24 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3kyl h LYS 17 CO 0.54 0.59 0.00 -0.89 -0.57 0.00 0.00 179.45 179.12 3kyl n ILE 18 N -4.63 0.00 -3.73 1.86 -0.00 -1.26 -4.80 119.36 106.80 3kyl n ILE 18 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.60 3kyl n ILE 18 Cb 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 39.74 3kyl n ILE 18 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 3kyl s VAL 19 N 4.16 -0.00 0.48 1.39 0.11 -1.26 -5.01 120.40 120.26 3kyl s VAL 19 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 3kyl s VAL 19 Cb 0.00 -0.58 0.12 0.00 -1.53 0.00 0.00 36.38 34.39 3kyl s VAL 19 CO 0.00 0.00 0.47 -0.46 -3.33 0.00 0.00 175.10 171.78 3kyl n ASN 20 N 2.90 -1.11 0.14 3.54 0.23 -1.26 -4.94 115.26 114.75 3kyl n ASN 20 Ca -0.13 -0.86 0.04 0.00 -0.53 0.00 0.00 54.58 53.09 3kyl n ASN 20 Cb 0.57 -0.41 0.47 0.00 -2.08 0.00 0.00 39.78 38.33 3kyl n ASN 20 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3kyl h SER 21 N -1.48 0.20 0.18 0.53 0.02 -2.05 -3.30 113.55 107.66 3kyl h SER 21 Ca -0.17 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3kyl h SER 21 Cb 0.50 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3kyl h SER 21 CO 0.11 0.26 -0.09 0.11 -1.14 0.00 0.00 176.83 176.09 3kyl h LYS 22 N 0.22 -0.24 -6.76 3.45 6.56 -2.07 -3.46 116.57 114.28 3kyl h LYS 22 Ca 0.05 0.02 -0.53 0.00 -1.06 0.00 0.00 60.65 59.13 3kyl h LYS 22 Cb 0.19 0.05 0.07 0.00 -0.57 0.00 0.00 32.23 31.97 3kyl h LYS 22 CO 0.01 0.07 0.83 0.71 -2.06 0.00 0.00 179.45 179.01 3kyl s TYR 23 N -2.87 2.90 -0.14 -1.35 2.02 -1.24 -4.92 117.35 111.74 3kyl s TYR 23 Ca -0.09 0.86 -0.29 0.00 -0.37 0.00 0.00 57.07 57.18 3kyl s TYR 23 Cb 0.00 -3.95 -0.07 0.00 -0.40 0.00 0.00 41.96 37.54 3kyl s TYR 23 CO 0.32 -3.19 2.14 -1.71 -1.57 0.00 0.00 175.55 171.53 3kyl n ASN 24 N 2.45 3.51 -0.57 2.29 2.85 -1.26 -4.83 115.26 119.69 3kyl n ASN 24 Ca 0.08 0.45 0.00 0.00 -0.11 0.00 0.00 54.58 55.00 3kyl n ASN 24 Cb 0.39 -1.53 0.00 0.00 1.24 0.00 0.00 39.78 39.87 3kyl n ASN 24 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3kyl n SER 25 N 10.22 0.63 0.09 1.20 3.41 -1.26 -2.72 113.62 125.20 3kyl n SER 25 Ca 0.27 -1.00 -0.06 0.00 -0.26 0.00 0.00 58.87 57.82 3kyl n SER 25 Cb 0.42 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 3kyl n SER 25 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3kyl h ILE 26 N 0.07 1.46 0.00 -1.33 -0.00 -2.00 -3.13 117.51 112.57 3kyl h ILE 26 Ca 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 64.86 62.48 3kyl h ILE 26 Cb 0.28 2.28 0.00 0.00 -0.00 0.00 0.00 36.82 39.39 3kyl h ILE 26 CO 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 178.15 178.84 3kyl n LEU 27 N -3.73 0.78 0.21 2.19 -0.00 -1.10 -3.43 117.00 111.91 3kyl n LEU 27 Ca -0.03 0.61 0.05 0.00 -0.00 0.00 0.00 56.01 56.64 3kyl n LEU 27 Cb 0.72 -0.41 0.47 0.00 -0.00 0.00 0.00 43.42 44.20 3kyl n LEU 27 CO 0.46 -0.33 0.87 -1.13 -0.00 0.00 0.00 177.39 177.26 3kyl h ASN 28 N 0.00 0.02 -0.27 1.45 -0.00 -1.77 0.77 115.58 115.79 3kyl h ASN 28 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 3kyl h ASN 28 Cb 0.60 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.91 3kyl h ASN 28 CO 0.00 0.23 0.07 0.40 -0.00 0.00 0.00 177.43 178.13 3kyl h ILE 29 N 0.02 1.21 -0.28 2.57 1.08 -1.72 -0.34 117.51 120.05 3kyl h ILE 29 Ca 0.00 -0.70 -0.06 0.00 -0.39 0.00 0.00 64.86 63.71 3kyl h ILE 29 Cb 0.38 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 3kyl h ILE 29 CO 0.03 0.23 -0.09 0.00 -0.69 0.00 0.00 178.15 177.63 3kyl h ALA 30 N 0.89 1.33 -0.53 1.87 0.00 -1.59 -0.68 119.26 120.56 3kyl h ALA 30 Ca 0.08 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3kyl h ALA 30 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kyl h ALA 30 CO 0.00 0.45 -0.05 1.25 0.00 0.00 0.00 179.25 180.90 3kyl h LEU 31 N 0.43 0.93 -0.86 0.00 6.46 -0.59 -1.36 115.31 120.31 3kyl h LEU 31 Ca 0.08 -0.27 -0.12 0.00 -0.12 0.00 0.00 57.88 57.45 3kyl h LEU 31 Cb 0.42 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 3kyl h LEU 31 CO 0.02 1.02 -0.55 0.11 -0.62 0.00 0.00 178.44 178.41 3kyl h LYS 32 N 0.86 0.05 0.00 1.25 1.57 -0.72 -2.72 116.57 116.86 3kyl h LYS 32 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kyl h LYS 32 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3kyl h LYS 32 CO 0.03 0.59 0.00 -0.91 -0.57 0.00 0.00 179.45 178.59 3kyl h ASN 33 N 0.04 0.00 -0.42 0.86 2.35 -0.61 -2.61 115.58 115.18 3kyl h ASN 33 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3kyl h ASN 33 Cb 0.99 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3kyl h ASN 33 CO 0.07 0.00 -0.05 0.15 -1.65 0.00 0.00 177.43 175.95 3kyl h PHE 34 N 0.00 0.87 0.00 1.19 3.57 -0.93 -1.78 116.94 119.86 3kyl h PHE 34 Ca 0.00 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 3kyl h PHE 34 Cb 0.48 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3kyl h PHE 34 CO 0.00 0.87 -0.38 0.00 -2.23 0.00 0.00 178.31 176.57 3kyl h ARG 35 N 0.61 0.00 -0.26 1.11 3.08 -1.58 -1.38 114.38 115.96 3kyl h ARG 35 Ca 0.11 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.01 3kyl h ARG 35 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3kyl h ARG 35 CO 0.03 0.38 -0.43 -0.07 -1.07 0.00 0.00 179.97 178.81 3kyl h LEU 36 N 0.00 0.83 -0.17 3.04 4.07 -1.41 -2.87 115.31 118.80 3kyl h LEU 36 Ca -0.00 -0.52 -0.23 0.00 0.08 0.00 0.00 57.88 57.21 3kyl h LEU 36 Cb 1.21 -0.24 0.01 0.00 1.08 0.00 0.00 40.66 42.72 3kyl h LEU 36 CO 0.05 1.19 -0.89 0.00 -1.08 0.00 0.00 178.44 177.71 3kyl n LYS 38 N -3.83 0.06 -0.34 0.00 4.81 -0.52 -2.80 118.16 115.54 3kyl n LYS 38 Ca -0.07 0.48 -0.06 0.00 -0.87 0.00 0.00 58.31 57.78 3kyl n LYS 38 Cb 0.80 -1.67 0.05 0.00 0.02 0.00 0.00 35.03 34.23 3kyl n LYS 38 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3kyl n LYS 39 N -1.81 1.38 -1.57 1.64 3.00 -1.08 -4.92 118.16 114.80 3kyl n LYS 39 Ca 0.01 -0.84 -0.00 0.00 -0.00 0.00 0.00 58.31 57.47 3kyl n LYS 39 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 33.76 3kyl n LYS 39 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kyl n HIS 40 N 0.05 -0.18 0.06 5.64 8.25 -1.12 -5.05 115.22 122.87 3kyl n HIS 40 Ca 0.16 0.07 -0.02 0.00 -0.26 0.00 0.00 57.72 57.67 3kyl n HIS 40 Cb 0.81 -1.63 -0.01 0.00 1.12 0.00 0.00 29.99 30.28 3kyl n HIS 40 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3kyl h LYS 41 N 0.09 -0.15 -3.64 -0.41 1.57 -1.92 -3.50 116.57 108.60 3kyl h LYS 41 Ca 0.00 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 3kyl h LYS 41 Cb 0.23 0.03 -0.33 0.00 0.08 0.00 0.00 32.23 32.25 3kyl h LYS 41 CO 0.01 -0.10 -0.73 0.99 -0.57 0.00 0.00 179.45 179.04 3kyl s THR 42 N -3.09 0.04 0.25 -0.16 2.01 -1.26 -5.20 115.64 108.23 3kyl s THR 42 Ca -0.02 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.15 3kyl s THR 42 Cb 0.00 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.32 3kyl s THR 42 CO 0.07 0.09 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.54 3kyl s LYS 43 N 0.85 1.41 -0.16 4.92 1.02 -1.26 -5.15 119.74 121.37 3kyl s LYS 43 Ca -0.08 -1.72 -0.05 0.00 0.02 0.00 0.00 55.97 54.14 3kyl s LYS 43 Cb -0.11 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.40 3kyl s LYS 43 CO -0.02 -0.07 0.01 0.15 -0.92 0.00 0.00 175.35 174.50 3kyl s LYS 44 N -3.83 3.76 -0.10 1.68 1.02 -1.26 -3.89 119.74 117.12 3kyl s LYS 44 Ca 0.29 -0.43 0.13 0.00 0.02 0.00 0.00 55.97 55.97 3kyl s LYS 44 Cb 0.05 -3.04 -0.24 0.00 -0.52 0.00 0.00 37.83 34.09 3kyl s LYS 44 CO 0.10 0.29 0.46 -0.35 -0.92 0.00 0.00 175.35 174.93 3kyl n PRO 45 N 3.42 0.66 -3.07 -1.68 -0.04 -1.26 -5.08 135.00 127.95 3kyl n PRO 45 Ca -0.17 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 3kyl n PRO 45 Cb 0.52 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 3kyl n PRO 45 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kyl n VAL 46 N -3.00 -7.29 -1.62 0.52 0.31 -1.25 -4.89 118.33 101.12 3kyl n VAL 46 Ca -0.23 0.85 -0.40 0.00 -0.01 0.00 0.00 64.34 64.54 3kyl n VAL 46 Cb 1.08 -5.20 0.02 0.00 -0.91 0.00 0.00 33.84 28.84 3kyl n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kyl n GLN 47 N 0.40 1.26 0.19 5.55 3.00 -1.26 -4.75 117.38 121.76 3kyl n GLN 47 Ca 0.01 0.46 0.03 0.00 -0.01 0.00 0.00 57.00 57.49 3kyl n GLN 47 Cb 0.41 -2.10 0.36 0.00 0.00 0.00 0.00 30.24 28.91 3kyl n GLN 47 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3kyl h ILE 48 N 1.27 1.19 0.00 5.09 2.04 -1.93 -0.75 117.51 124.42 3kyl h ILE 48 Ca -0.46 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.05 3kyl h ILE 48 Cb 1.34 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3kyl h ILE 48 CO 0.55 0.38 0.00 -0.11 0.00 0.00 0.00 178.15 178.97 3kyl n LEU 49 N -3.96 0.00 -0.10 1.44 7.94 -1.26 -3.07 117.00 117.99 3kyl n LEU 49 Ca -0.02 0.40 -0.12 0.00 -1.11 0.00 0.00 56.01 55.16 3kyl n LEU 49 Cb 0.43 -0.40 -0.11 0.00 0.53 0.00 0.00 43.42 43.87 3kyl n LEU 49 CO 0.38 -0.08 -1.13 0.00 -1.11 0.00 0.00 177.39 175.45 3kyl n ALA 50 N -1.40 1.56 -0.23 1.96 0.00 -0.47 -4.30 120.51 117.63 3kyl n ALA 50 Ca 0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 53.44 52.46 3kyl n ALA 50 Cb 0.24 -0.04 0.06 0.00 0.00 0.00 0.00 19.45 19.71 3kyl n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kyl h LEU 51 N 0.00 1.04 -0.47 0.00 3.38 -1.23 -3.27 115.31 114.75 3kyl h LEU 51 Ca -0.47 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.10 3kyl h LEU 51 Cb 1.87 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 3kyl h LEU 51 CO -0.03 1.02 -0.74 0.25 0.09 0.00 0.00 178.44 179.03 3kyl h LEU 52 N 1.02 0.26 -0.49 1.67 5.85 -1.77 -1.82 115.31 120.02 3kyl h LEU 52 Ca 0.21 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kyl h LEU 52 Cb 0.41 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3kyl h LEU 52 CO 0.01 0.90 0.00 0.00 -0.34 0.00 0.00 178.44 179.01 3kyl n GLN 53 N -3.76 0.17 -0.12 1.25 6.02 -1.23 -1.12 117.38 118.58 3kyl n GLN 53 Ca -0.03 0.36 -0.16 0.00 -0.01 0.00 0.00 57.00 57.16 3kyl n GLN 53 Cb 0.71 -1.80 -0.12 0.00 1.02 0.00 0.00 30.24 30.05 3kyl n GLN 53 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3kyl n GLU 54 N -2.12 0.65 -0.02 -1.09 1.02 -1.11 -4.55 120.64 113.43 3kyl n GLU 54 Ca 0.03 0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 3kyl n GLU 54 Cb 0.25 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3kyl n GLU 54 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kyl h ILE 55 N 0.00 1.41 -3.27 -3.67 2.04 -1.29 -3.40 117.51 109.34 3kyl h ILE 55 Ca -0.56 -1.28 -0.59 0.00 1.00 0.00 0.00 64.86 63.43 3kyl h ILE 55 Cb 1.92 2.21 -0.08 0.00 -0.74 0.00 0.00 36.82 40.13 3kyl h ILE 55 CO -0.07 0.34 0.54 -0.63 0.00 0.00 0.00 178.15 178.33 3kyl s ILE 56 N -4.10 4.79 0.47 -0.67 1.01 -0.27 -4.35 121.20 118.08 3kyl s ILE 56 Ca -0.16 1.62 -0.24 0.00 0.00 0.00 0.00 60.65 61.87 3kyl s ILE 56 Cb 0.02 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 3kyl s ILE 56 CO 0.69 -0.13 1.31 -2.16 0.00 0.00 0.00 174.94 174.65 3kyl s PRO 57 N 2.96 3.60 0.57 2.79 0.04 -1.26 -4.55 135.00 139.15 3kyl s PRO 57 Ca 0.37 2.13 0.37 0.00 0.04 0.00 0.00 61.00 63.91 3kyl s PRO 57 Cb -0.15 -2.50 1.82 0.00 0.04 0.00 0.00 34.50 33.72 3kyl s PRO 57 CO 0.08 -0.78 2.12 -0.22 0.04 0.00 0.00 177.00 178.24 3kyl h LYS 58 N 2.08 0.00 0.00 4.56 3.64 -1.93 -2.12 116.57 122.79 3kyl h LYS 58 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3kyl h LYS 58 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3kyl h LYS 58 CO 0.60 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.65 3kyl n SER 59 N -2.96 0.18 -0.01 4.20 3.41 -1.26 -2.46 113.62 114.73 3kyl n SER 59 Ca -0.01 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 59.00 3kyl n SER 59 Cb 0.17 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 3kyl n SER 59 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3kyl h TYR 60 N 0.00 -0.00 0.00 7.33 3.20 -1.76 -3.30 116.97 122.44 3kyl h TYR 60 Ca 0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 3kyl h TYR 60 Cb 0.41 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3kyl h TYR 60 CO 0.00 0.42 -0.55 0.74 -1.64 0.00 0.00 178.16 177.13 3kyl h PHE 61 N -0.43 0.00 0.00 -3.82 0.04 -1.72 -3.46 116.94 107.55 3kyl h PHE 61 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kyl h PHE 61 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3kyl h PHE 61 CO 0.07 0.55 0.00 0.41 -0.60 0.00 0.00 178.31 178.74 3kyl n GLY 62 N 1.01 1.48 3.85 -1.45 0.00 -1.03 -4.57 105.19 104.48 3kyl n GLY 62 Ca 0.01 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3kyl n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kyl s THR 63 N 0.00 3.08 -0.39 2.61 -4.23 -1.26 -4.70 115.64 110.75 3kyl s THR 63 Ca 0.00 0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 3kyl s THR 63 Cb 0.00 -3.23 0.15 0.00 1.34 0.00 0.00 72.50 70.76 3kyl s THR 63 CO 0.00 -0.46 2.36 0.41 -0.54 0.00 0.00 174.62 176.40 3kyl n THR 64 N -3.25 3.05 0.00 3.99 -1.04 -1.26 -3.63 114.28 112.14 3kyl n THR 64 Ca 0.07 -2.29 0.00 0.00 -2.04 0.00 0.00 64.05 59.79 3kyl n THR 64 Cb 0.57 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 3kyl n THR 64 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kyl n THR 65 N 0.54 0.00 -0.05 12.58 -1.04 -1.26 -4.63 114.28 120.43 3kyl n THR 65 Ca 0.40 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.36 3kyl n THR 65 Cb 0.57 -0.55 0.16 0.00 -1.82 0.00 0.00 70.33 68.70 3kyl n THR 65 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3kyl h ASN 66 N 0.00 0.64 -0.42 8.00 2.35 -1.86 -2.95 115.58 121.34 3kyl h ASN 66 Ca 0.00 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3kyl h ASN 66 Cb 0.70 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3kyl h ASN 66 CO 0.00 0.82 0.26 0.25 -1.65 0.00 0.00 177.43 177.11 3kyl h LEU 67 N 0.58 0.50 -1.14 1.61 6.46 -1.85 -1.99 115.31 119.47 3kyl h LEU 67 Ca 0.09 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 3kyl h LEU 67 Cb 0.62 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3kyl h LEU 67 CO 0.04 0.38 -0.27 0.11 -0.62 0.00 0.00 178.44 178.09 3kyl h LYS 68 N 0.58 0.26 0.10 1.25 1.57 -1.78 -2.43 116.57 116.13 3kyl h LYS 68 Ca 0.16 -0.09 -0.28 0.00 -1.87 0.00 0.00 60.65 58.56 3kyl h LYS 68 Cb -0.03 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.28 3kyl h LYS 68 CO -0.03 0.52 -1.19 0.00 -0.57 0.00 0.00 179.45 178.18 3kyl h ARG 69 N 0.23 0.51 -0.21 3.15 3.08 -1.39 -3.22 114.38 116.54 3kyl h ARG 69 Ca 0.04 -0.69 -0.16 0.00 0.07 0.00 0.00 59.98 59.24 3kyl h ARG 69 Cb 0.60 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3kyl h ARG 69 CO 0.04 1.29 -0.49 0.35 -1.07 0.00 0.00 179.97 180.09 3kyl h PHE 70 N 0.23 0.90 0.00 3.04 3.57 -1.43 -3.20 116.94 120.05 3kyl h PHE 70 Ca -0.16 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.00 3kyl h PHE 70 Cb 1.87 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.44 3kyl h PHE 70 CO 0.09 1.13 0.00 0.66 -2.23 0.00 0.00 178.31 177.96 3kyl n TYR 71 N -4.14 0.00 -0.07 0.41 4.02 -0.92 -1.80 117.16 114.65 3kyl n TYR 71 Ca -0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.68 3kyl n TYR 71 Cb 0.59 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.51 3kyl n TYR 71 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3kyl h LYS 72 N 0.00 0.78 -0.38 -0.72 1.79 -1.56 -1.55 116.57 114.94 3kyl h LYS 72 Ca 0.00 -0.51 -0.03 0.00 -2.18 0.00 0.00 60.65 57.93 3kyl h LYS 72 Cb 0.27 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3kyl h LYS 72 CO 0.00 1.14 0.11 0.28 -1.08 0.00 0.00 179.45 179.89 3kyl h VAL 73 N 0.53 1.22 -0.70 0.50 2.07 -1.45 -0.53 116.25 117.88 3kyl h VAL 73 Ca 0.01 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3kyl h VAL 73 Cb 1.11 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3kyl h VAL 73 CO 0.11 0.25 0.32 0.58 0.02 0.00 0.00 177.57 178.85 3kyl h VAL 74 N 0.46 1.23 -0.26 2.57 2.07 -1.55 -2.10 116.25 118.67 3kyl h VAL 74 Ca 0.12 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3kyl h VAL 74 Cb 0.28 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3kyl h VAL 74 CO -0.00 0.28 -0.13 -0.08 0.02 0.00 0.00 177.57 177.66 3kyl h GLU 75 N 1.00 0.44 0.00 1.57 4.81 -0.99 -2.66 114.58 118.75 3kyl h GLU 75 Ca 0.24 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3kyl h GLU 75 Cb 0.13 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kyl h GLU 75 CO -0.03 0.56 -0.47 0.87 -0.73 0.00 0.00 179.01 179.22 3kyl h LYS 76 N 0.41 0.00 -0.20 1.92 1.57 -0.46 -2.91 116.57 116.90 3kyl h LYS 76 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 3kyl h LYS 76 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3kyl h LYS 76 CO 0.03 0.47 -0.20 0.82 -0.57 0.00 0.00 179.45 179.99 3kyl h ILE 77 N 0.00 1.23 -0.01 1.86 2.04 -1.05 -2.98 117.51 118.60 3kyl h ILE 77 Ca -0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3kyl h ILE 77 Cb 0.84 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3kyl h ILE 77 CO 0.06 0.33 0.00 0.18 0.00 0.00 0.00 178.15 178.72 3kyl n LEU 78 N -4.18 0.98 -0.15 1.44 4.77 -1.10 -3.64 117.00 115.12 3kyl n LEU 78 Ca -0.00 -0.33 0.02 0.00 -0.03 0.00 0.00 56.01 55.67 3kyl n LEU 78 Cb 0.34 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3kyl n LEU 78 CO 0.40 0.16 0.38 0.35 -1.33 0.00 0.00 177.39 177.35 3kyl n THR 79 N -0.23 0.63 -1.95 -5.08 -2.24 -1.16 -4.65 114.28 99.60 3kyl n THR 79 Ca 0.21 -0.71 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 3kyl n THR 79 Cb 0.27 0.49 0.04 0.00 -2.10 0.00 0.00 70.33 69.02 3kyl n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kyl s GLN 80 N -0.84 2.93 0.44 -0.78 -2.07 -1.13 -4.96 119.66 113.25 3kyl s GLN 80 Ca 0.07 1.66 -0.02 0.00 -1.82 0.00 0.00 55.36 55.24 3kyl s GLN 80 Cb 0.06 -1.94 -0.02 0.00 -1.09 0.00 0.00 33.01 30.02 3kyl s GLN 80 CO 0.01 -1.20 0.69 -1.12 -1.32 0.00 0.00 175.29 172.35 3kyl s SER 81 N -1.93 6.08 0.40 12.60 0.01 -1.26 -3.93 113.70 125.68 3kyl s SER 81 Ca 0.73 0.58 -0.27 0.00 1.31 0.00 0.00 55.95 58.31 3kyl s SER 81 Cb -0.26 -1.93 -0.10 0.00 0.21 0.00 0.00 66.02 63.95 3kyl s SER 81 CO 0.35 -0.58 1.44 -0.44 0.41 0.00 0.00 173.24 174.42 3kyl s SER 82 N -4.14 6.18 -1.64 2.44 0.01 -0.08 -2.80 113.70 113.67 3kyl s SER 82 Ca 0.46 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.68 3kyl s SER 82 Cb -0.10 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3kyl s SER 82 CO 0.40 -0.97 0.00 0.49 0.41 0.00 0.00 173.24 173.57 3kyl n PHE 83 N 0.21 -0.10 -2.99 2.43 3.72 -1.26 -4.98 117.46 114.48 3kyl n PHE 83 Ca 0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.04 3kyl n PHE 83 Cb 0.41 -2.83 -0.06 0.00 -0.94 0.00 0.00 39.48 36.05 3kyl n PHE 83 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3kyl s GLU 84 N -3.53 4.49 0.13 -1.08 2.12 -1.12 -4.54 118.70 115.16 3kyl s GLU 84 Ca 0.00 1.10 0.04 0.00 0.36 0.00 0.00 54.97 56.47 3kyl s GLU 84 Cb 0.00 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 3kyl s GLU 84 CO 0.00 0.50 -0.09 0.00 -0.54 0.00 0.00 175.26 175.12 3kyl s ILE 86 N -3.20 1.69 0.54 0.00 -0.00 -0.89 -4.96 121.20 114.38 3kyl s ILE 86 Ca 0.13 -2.00 -0.18 0.00 -0.00 0.00 0.00 60.65 58.60 3kyl s ILE 86 Cb 0.02 -2.89 -0.06 0.00 -0.00 0.00 0.00 42.46 39.53 3kyl s ILE 86 CO -0.01 0.00 1.06 -1.00 -0.00 0.00 0.00 174.94 175.00 3kyl s HIS 87 N -2.90 2.93 0.31 1.37 3.76 -1.26 -0.86 115.29 118.64 3kyl s HIS 87 Ca 0.34 1.55 0.09 0.00 -0.15 0.00 0.00 55.06 56.89 3kyl s HIS 87 Cb 0.09 -3.08 0.52 0.00 1.11 0.00 0.00 32.58 31.22 3kyl s HIS 87 CO 0.17 -1.08 1.72 -0.07 -0.85 0.00 0.00 174.74 174.63 3kyl h LEU 88 N 1.00 0.12 -2.35 0.89 3.38 -1.71 -3.06 115.31 113.58 3kyl h LEU 88 Ca -0.48 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3kyl h LEU 88 Cb 1.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3kyl h LEU 88 CO 0.58 0.55 0.00 0.77 0.09 0.00 0.00 178.44 180.43 3kyl h SER 89 N 0.10 0.00 0.66 -0.43 4.64 -1.93 -1.06 113.55 115.53 3kyl h SER 89 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 3kyl h SER 89 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 3kyl h SER 89 CO 0.06 0.00 -0.17 0.58 -0.87 0.00 0.00 176.83 176.43 3kyl h VAL 90 N 0.00 0.54 -0.05 0.95 2.07 -1.85 -2.59 116.25 115.32 3kyl h VAL 90 Ca 0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3kyl h VAL 90 Cb 0.20 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3kyl h VAL 90 CO 0.00 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.94 3kyl n LEU 91 N -3.48 0.89 0.00 2.57 4.77 -0.40 -4.30 117.00 117.05 3kyl n LEU 91 Ca -0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3kyl n LEU 91 Cb 0.34 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3kyl n LEU 91 CO 0.31 0.17 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 3kyl n HIS 92 N -0.26 0.00 -2.62 -1.77 1.44 -1.21 -4.39 115.22 106.42 3kyl n HIS 92 Ca 0.19 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.54 3kyl n HIS 92 Cb 0.23 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.30 3kyl n HIS 92 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3kyl s LYS 93 N -0.80 4.22 -1.26 -1.40 1.02 -0.98 -3.70 119.74 116.84 3kyl s LYS 93 Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.42 3kyl s LYS 93 Cb 0.00 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 3kyl s LYS 93 CO 0.00 -0.07 0.00 0.00 -0.92 0.00 0.00 175.35 174.36 3kyl s TYR 95 N -2.65 3.53 -0.44 0.00 2.02 -1.24 -5.04 117.35 113.54 3kyl s TYR 95 Ca 0.00 0.48 -0.29 0.00 -0.37 0.00 0.00 57.07 56.89 3kyl s TYR 95 Cb 0.00 -1.93 0.03 0.00 -0.40 0.00 0.00 41.96 39.66 3kyl s TYR 95 CO 0.00 0.55 1.10 0.34 -1.57 0.00 0.00 175.55 175.97 3kyl s ASP 96 N -2.18 6.70 -0.00 2.29 2.15 -1.26 -4.91 116.67 119.46 3kyl s ASP 96 Ca 0.34 0.59 0.05 0.00 0.43 0.00 0.00 52.55 53.96 3kyl s ASP 96 Cb -0.13 -2.54 -0.24 0.00 -0.30 0.00 0.00 42.92 39.71 3kyl s ASP 96 CO 0.22 -1.14 0.83 1.88 -0.17 0.00 0.00 175.17 176.79 3kyl h TYR 97 N 8.92 0.18 0.00 -5.34 0.05 -1.97 -3.35 116.97 115.46 3kyl h TYR 97 Ca -0.22 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.37 3kyl h TYR 97 Cb 1.06 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 3kyl h TYR 97 CO 0.93 1.18 -0.26 0.38 -1.05 0.00 0.00 178.16 179.34 3kyl h ASP 98 N 0.03 0.00 1.32 3.88 2.03 -1.98 -2.74 116.42 118.95 3kyl h ASP 98 Ca -0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 3kyl h ASP 98 Cb 1.96 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.46 3kyl h ASP 98 CO 0.12 0.26 0.00 0.00 -1.03 0.00 0.00 179.24 178.59 3kyl h ALA 99 N 1.74 1.00 -2.15 4.15 0.00 -1.94 -3.43 119.26 118.63 3kyl h ALA 99 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 3kyl h ALA 99 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 3kyl h ALA 99 CO 0.03 0.00 0.45 0.42 0.00 0.00 0.00 179.25 180.16 3kyl s ILE 100 N -3.18 4.70 -0.01 0.00 1.01 -1.03 -4.47 121.20 118.21 3kyl s ILE 100 Ca 0.08 1.06 -0.22 0.00 0.00 0.00 0.00 60.65 61.58 3kyl s ILE 100 Cb 0.11 -4.23 -0.21 0.00 0.01 0.00 0.00 42.46 38.13 3kyl s ILE 100 CO 0.55 -0.42 1.13 -0.65 0.00 0.00 0.00 174.94 175.55 3kyl h PRO 101 N 8.38 0.30 0.00 2.79 0.11 -1.84 -3.09 132.00 138.66 3kyl h PRO 101 Ca -0.24 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kyl h PRO 101 Cb 1.09 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kyl h PRO 101 CO 0.93 0.95 0.00 -2.67 -0.21 0.00 0.00 178.00 176.99 3kyl n TRP 102 N -4.41 0.00 0.48 0.65 4.27 -1.26 -1.09 117.44 116.08 3kyl n TRP 102 Ca -0.09 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.57 3kyl n TRP 102 Cb 0.53 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 3kyl n TRP 102 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3kyl n LEU 103 N -0.97 1.32 0.10 5.67 4.77 -1.21 -4.65 117.00 122.02 3kyl n LEU 103 Ca 0.14 -0.78 -0.23 0.00 -0.03 0.00 0.00 56.01 55.11 3kyl n LEU 103 Cb 0.07 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 3kyl n LEU 103 CO 0.11 0.26 -0.10 -0.61 -1.33 0.00 0.00 177.39 175.72 3kyl h GLN 104 N 1.28 0.55 -1.15 3.23 5.75 -1.02 -3.21 115.11 120.55 3kyl h GLN 104 Ca 0.00 -0.82 0.00 0.00 -0.15 0.00 0.00 58.65 57.68 3kyl h GLN 104 Cb 0.38 0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.21 3kyl h GLN 104 CO 0.00 1.38 0.00 0.09 -2.65 0.00 0.00 178.83 177.65 3kyl n ASN 105 N -3.83 2.20 -4.05 -0.69 4.13 -1.25 -4.78 115.26 107.00 3kyl n ASN 105 Ca -0.15 -1.60 -0.08 0.00 1.68 0.00 0.00 54.58 54.43 3kyl n ASN 105 Cb 0.99 -0.40 -0.10 0.00 -1.54 0.00 0.00 39.78 38.73 3kyl n ASN 105 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kyl s VAL 106 N 0.04 0.18 -0.36 2.41 1.01 -1.21 -5.11 120.40 117.36 3kyl s VAL 106 Ca 0.00 -1.52 -0.36 0.00 0.00 0.00 0.00 61.98 60.09 3kyl s VAL 106 Cb 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 36.38 35.06 3kyl s VAL 106 CO 0.00 -0.84 1.22 -0.62 0.00 0.00 0.00 175.10 174.86 3kyl n GLU 107 N 0.52 0.00 -0.10 2.72 -0.58 -1.26 -4.84 120.64 117.10 3kyl n GLU 107 Ca -0.17 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.65 3kyl n GLU 107 Cb 0.59 -1.18 0.43 0.00 -0.57 0.00 0.00 31.44 30.72 3kyl n GLU 107 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kyl h PRO 108 N 3.81 0.55 0.00 3.49 0.11 -1.90 -3.22 132.00 134.83 3kyl h PRO 108 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kyl h PRO 108 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3kyl h PRO 108 CO 0.75 0.36 -1.50 0.27 -0.21 0.00 0.00 178.00 177.67 3kyl n ASN 109 N -4.48 1.20 -0.71 -2.05 6.94 -1.26 -4.38 115.26 110.52 3kyl n ASN 109 Ca 0.08 -0.20 0.01 0.00 -0.02 0.00 0.00 54.58 54.45 3kyl n ASN 109 Cb 0.25 1.56 0.06 0.00 -2.36 0.00 0.00 39.78 39.29 3kyl n ASN 109 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3kyl n LEU 110 N -1.89 1.71 0.07 -4.53 4.77 -1.21 -4.30 117.00 111.60 3kyl n LEU 110 Ca -0.02 -0.86 -0.21 0.00 -0.03 0.00 0.00 56.01 54.90 3kyl n LEU 110 Cb 0.38 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 3kyl n LEU 110 CO 0.33 0.31 0.02 0.03 -1.33 0.00 0.00 177.39 176.74 3kyl h ARG 111 N 0.58 0.40 -0.70 3.23 3.08 -1.76 -3.31 114.38 115.90 3kyl h ARG 111 Ca 0.00 -0.62 0.12 0.00 0.07 0.00 0.00 59.98 59.56 3kyl h ARG 111 Cb 0.72 0.22 -0.13 0.00 0.08 0.00 0.00 29.97 30.86 3kyl h ARG 111 CO 0.07 1.28 -0.31 -1.35 -1.07 0.00 0.00 179.97 178.59 3kyl h PRO 112 N -0.15 -0.09 0.00 0.04 0.11 -1.93 0.42 132.00 130.40 3kyl h PRO 112 Ca -0.16 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.88 3kyl h PRO 112 Cb 1.72 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.84 3kyl h PRO 112 CO 0.18 -0.06 -0.40 0.87 -0.21 0.00 0.00 178.00 178.38 3kyl h LYS 113 N -0.10 0.00 -0.00 1.05 1.57 -1.91 -0.66 116.57 116.52 3kyl h LYS 113 Ca 0.28 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 3kyl h LYS 113 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.89 3kyl h LYS 113 CO -0.76 0.40 -0.67 -0.07 -0.57 0.00 0.00 179.45 177.78 3kyl h LEU 114 N 0.00 0.59 -0.39 2.94 3.38 -1.18 -1.14 115.31 119.51 3kyl h LEU 114 Ca -0.00 -0.76 0.01 0.00 0.09 0.00 0.00 57.88 57.22 3kyl h LEU 114 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3kyl h LEU 114 CO 0.05 1.27 0.24 0.25 0.09 0.00 0.00 178.44 180.35 3kyl h LEU 115 N -0.03 0.41 -0.88 1.67 5.85 -0.13 -1.13 115.31 121.07 3kyl h LEU 115 Ca -0.08 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3kyl h LEU 115 Cb 1.37 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 3kyl h LEU 115 CO 0.13 0.30 0.53 0.25 -0.34 0.00 0.00 178.44 179.30 3kyl h LEU 116 N 0.50 1.06 -0.82 2.25 5.85 -1.17 0.16 115.31 123.15 3kyl h LEU 116 Ca 0.15 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3kyl h LEU 116 Cb -0.03 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 3kyl h LEU 116 CO -0.05 0.82 0.05 0.50 -0.34 0.00 0.00 178.44 179.43 3kyl h LYS 117 N 1.22 0.94 0.01 1.25 3.64 -0.89 -1.18 116.57 121.56 3kyl h LYS 117 Ca 0.32 -0.25 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 3kyl h LYS 117 Cb -0.04 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3kyl h LYS 117 CO -0.06 0.90 -0.93 0.45 -2.27 0.00 0.00 179.45 177.54 3kyl h HIS 118 N 0.88 0.91 -0.07 1.91 3.86 -0.89 -2.99 115.15 118.75 3kyl h HIS 118 Ca 0.17 -0.50 0.03 0.00 -1.16 0.00 0.00 60.37 58.91 3kyl h HIS 118 Cb 0.44 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 3kyl h HIS 118 CO 0.03 1.34 -0.14 -0.91 0.86 0.00 0.00 177.93 179.11 3kyl h ASN 119 N 0.22 -0.42 -0.76 2.45 2.35 -0.60 -1.47 115.58 117.36 3kyl h ASN 119 Ca -0.12 0.07 0.15 0.00 -0.55 0.00 0.00 56.30 55.85 3kyl h ASN 119 Cb 1.60 0.19 -0.14 0.00 0.05 0.00 0.00 38.32 40.02 3kyl h ASN 119 CO 0.18 -0.19 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.50 3kyl h LEU 120 N -0.19 -0.78 -0.51 1.61 3.38 -1.28 -0.90 115.31 116.64 3kyl h LEU 120 Ca 0.07 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.31 3kyl h LEU 120 Cb 0.30 0.49 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3kyl h LEU 120 CO -0.19 -0.26 0.29 0.15 0.09 0.00 0.00 178.44 178.52 3kyl h PHE 121 N -0.01 0.54 -0.19 1.13 3.57 -1.23 -0.10 116.94 120.64 3kyl h PHE 121 Ca 0.36 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.90 3kyl h PHE 121 Cb 0.56 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3kyl h PHE 121 CO -0.62 0.29 0.06 -0.07 -2.23 0.00 0.00 178.31 175.74 3kyl h LEU 122 N 0.57 0.05 -0.17 0.59 3.38 -0.18 0.23 115.31 119.78 3kyl h LEU 122 Ca 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3kyl h LEU 122 Cb 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kyl h LEU 122 CO -0.12 0.06 0.09 -0.07 0.09 0.00 0.00 178.44 178.49 3kyl h LEU 123 N 0.15 0.22 -0.25 1.67 -0.00 -1.08 0.05 115.31 116.07 3kyl h LEU 123 Ca 0.08 -0.11 -0.18 0.00 -0.00 0.00 0.00 57.88 57.68 3kyl h LEU 123 Cb 0.06 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 3kyl h LEU 123 CO -0.10 0.27 -0.85 0.44 -0.00 0.00 0.00 178.44 178.21 3kyl h ASP 124 N 0.16 0.00 0.00 -0.43 3.45 -0.81 -0.01 116.42 118.78 3kyl h ASP 124 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3kyl h ASP 124 Cb 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3kyl h ASP 124 CO -0.01 0.85 -1.20 0.59 -1.57 0.00 0.00 179.24 177.90 3kyl n ASN 125 N -3.48 1.58 0.08 6.45 3.02 0.78 -2.38 115.26 121.31 3kyl n ASN 125 Ca -0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3kyl n ASN 125 Cb 0.82 1.36 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 3kyl n ASN 125 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3kyl n ILE 126 N -1.69 0.70 0.26 2.41 5.41 -0.74 -4.53 119.36 121.18 3kyl n ILE 126 Ca -0.01 0.23 -0.13 0.00 1.00 0.00 0.00 62.75 63.84 3kyl n ILE 126 Cb 0.27 -1.18 -0.07 0.00 -0.71 0.00 0.00 39.64 37.96 3kyl n ILE 126 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3kyl h VAL 127 N 0.00 0.00 -0.19 1.39 2.07 -1.01 -0.12 116.25 118.39 3kyl h VAL 127 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kyl h VAL 127 Cb 0.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3kyl h VAL 127 CO 0.00 0.00 0.09 0.11 0.02 0.00 0.00 177.57 177.79 3kyl h LYS 128 N -0.77 0.28 -0.87 1.57 1.57 -1.24 -2.15 116.57 114.96 3kyl h LYS 128 Ca -0.06 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3kyl h LYS 128 Cb 0.63 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3kyl h LYS 128 CO 0.04 0.32 0.54 -1.35 -0.57 0.00 0.00 179.45 178.42 3kyl h PRO 129 N 0.18 0.94 0.00 3.15 0.11 -1.77 0.15 132.00 134.76 3kyl h PRO 129 Ca 0.07 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 3kyl h PRO 129 Cb 0.13 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3kyl h PRO 129 CO -0.01 0.62 -0.17 0.97 -0.21 0.00 0.00 178.00 179.20 3kyl h ILE 130 N 0.97 0.41 0.01 4.15 2.10 -0.88 0.52 117.51 124.79 3kyl h ILE 130 Ca 0.39 -1.02 -0.00 0.00 1.08 0.00 0.00 64.86 65.30 3kyl h ILE 130 Cb 0.20 1.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 3kyl h ILE 130 CO -0.18 0.17 -0.01 0.40 -1.08 0.00 0.00 178.15 177.45 3kyl h ILE 131 N 0.00 1.50 0.00 2.19 2.04 -0.71 -2.84 117.51 119.69 3kyl h ILE 131 Ca -0.00 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 3kyl h ILE 131 Cb 0.74 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 3kyl h ILE 131 CO 0.02 0.42 -0.19 0.00 0.00 0.00 0.00 178.15 178.40 3kyl h ALA 132 N 0.21 1.25 -0.06 1.87 0.00 -0.44 0.85 119.26 122.95 3kyl h ALA 132 Ca -0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3kyl h ALA 132 Cb 0.70 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kyl h ALA 132 CO 0.00 0.23 -0.79 0.35 0.00 0.00 0.00 179.25 179.05 3kyl h PHE 133 N 0.00 0.56 0.00 0.00 3.04 -0.05 -3.33 116.94 117.15 3kyl h PHE 133 Ca -0.00 -0.26 -0.10 0.00 3.98 0.00 0.00 57.97 61.59 3kyl h PHE 133 Cb 0.48 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 3kyl h PHE 133 CO 0.00 1.04 -1.62 0.66 -2.02 0.00 0.00 178.31 176.37 3kyl n TYR 134 N -3.81 0.55 -4.26 0.41 4.01 -0.83 -4.88 117.16 108.34 3kyl n TYR 134 Ca -0.05 0.17 -0.14 0.00 -0.16 0.00 0.00 57.90 57.72 3kyl n TYR 134 Cb 0.74 -0.86 -0.10 0.00 -0.31 0.00 0.00 39.34 38.81 3kyl n TYR 134 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3kyl s TYR 135 N -3.16 1.33 -0.20 -0.72 1.51 0.29 -2.36 117.35 114.03 3kyl s TYR 135 Ca -0.05 -1.15 0.00 0.00 -1.01 0.00 0.00 57.07 54.86 3kyl s TYR 135 Cb 0.10 -0.76 0.05 0.00 -0.11 0.00 0.00 41.96 41.24 3kyl s TYR 135 CO 0.84 -0.34 -0.06 0.21 -1.11 0.00 0.00 175.55 175.09 3kyl s LYS 136 N -4.01 1.59 -0.24 -0.62 2.47 0.25 -4.37 119.74 114.82 3kyl s LYS 136 Ca 0.32 -0.77 -0.29 0.00 -1.56 0.00 0.00 55.97 53.67 3kyl s LYS 136 Cb 0.07 -2.34 -0.01 0.00 -1.46 0.00 0.00 37.83 34.09 3kyl s LYS 136 CO 0.09 -0.51 1.44 -1.25 0.16 0.00 0.00 175.35 175.28 3kyl s PRO 137 N 1.50 3.92 -0.08 4.03 0.04 -1.26 -2.29 135.00 140.86 3kyl s PRO 137 Ca -0.02 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.55 3kyl s PRO 137 Cb -0.17 -3.93 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 3kyl s PRO 137 CO -0.07 -1.12 -0.15 0.42 0.04 0.00 0.00 177.00 176.12 3kyl s ILE 138 N 4.57 2.97 -0.14 0.56 1.01 -0.97 -5.02 121.20 124.19 3kyl s ILE 138 Ca 0.63 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 3kyl s ILE 138 Cb -0.21 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3kyl s ILE 138 CO 0.25 0.57 1.11 -0.54 0.00 0.00 0.00 174.94 176.33 3kyl s LYS 139 N -0.34 4.32 0.07 2.79 -0.14 -1.26 -2.27 119.74 122.91 3kyl s LYS 139 Ca 0.03 1.50 0.26 0.00 -1.36 0.00 0.00 55.97 56.40 3kyl s LYS 139 Cb -0.13 -3.62 1.03 0.00 -1.68 0.00 0.00 37.83 33.44 3kyl s LYS 139 CO 0.02 -0.52 1.82 0.25 -0.76 0.00 0.00 175.35 176.16 3kyl n THR 140 N 4.96 0.33 -1.14 2.17 -2.24 -1.17 -4.90 114.28 112.30 3kyl n THR 140 Ca 0.11 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3kyl n THR 140 Cb 0.47 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 3kyl n THR 140 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kyl n LEU 141 N -1.73 0.21 -4.27 3.22 4.32 -1.26 -4.95 117.00 112.54 3kyl n LEU 141 Ca 0.06 0.12 -0.44 0.00 -0.02 0.00 0.00 56.01 55.73 3kyl n LEU 141 Cb 0.33 -2.13 -0.06 0.00 -1.62 0.00 0.00 43.42 39.94 3kyl n LEU 141 CO 0.26 -0.80 0.16 0.21 -1.22 0.00 0.00 177.39 175.99 3kyl s ASN 142 N -2.24 6.11 1.25 -1.43 2.47 -1.26 -4.95 114.94 114.89 3kyl s ASN 142 Ca 0.00 -2.15 0.00 0.00 0.42 0.00 0.00 52.86 51.13 3kyl s ASN 142 Cb 0.00 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.68 3kyl s ASN 142 CO 0.00 -0.70 0.00 0.61 -3.72 0.00 0.00 177.10 173.29 3kyl n GLY 143 N 4.67 2.57 1.08 1.21 0.00 -1.26 -3.01 105.19 110.45 3kyl n GLY 143 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.64 3kyl n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kyl n HIS 144 N 13.50 1.14 -1.89 1.61 8.25 0.85 -4.98 115.22 133.71 3kyl n HIS 144 Ca 0.00 -1.16 -0.41 0.00 -0.26 0.00 0.00 57.72 55.89 3kyl n HIS 144 Cb 0.00 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 30.68 3kyl n HIS 144 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3kyl s GLU 145 N -2.99 4.19 -0.27 -0.41 2.12 -1.17 -0.90 118.70 119.27 3kyl s GLU 145 Ca 0.44 2.46 0.02 0.00 0.36 0.00 0.00 54.97 58.25 3kyl s GLU 145 Cb 0.37 -3.03 0.07 0.00 0.26 0.00 0.00 34.13 31.80 3kyl s GLU 145 CO 0.06 -0.49 -0.04 0.42 -0.54 0.00 0.00 175.26 174.67 3kyl s ILE 146 N -0.51 1.92 0.08 -3.70 1.01 -1.25 -3.03 121.20 115.71 3kyl s ILE 146 Ca 0.57 -1.65 -0.26 0.00 0.00 0.00 0.00 60.65 59.31 3kyl s ILE 146 Cb -0.45 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 3kyl s ILE 146 CO 0.52 -0.22 0.79 -0.54 0.00 0.00 0.00 174.94 175.50 3kyl s LYS 147 N 1.18 4.54 -0.37 2.79 1.02 -0.96 -4.82 119.74 123.11 3kyl s LYS 147 Ca -0.03 1.13 -0.18 0.00 0.02 0.00 0.00 55.97 56.92 3kyl s LYS 147 Cb -0.19 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3kyl s LYS 147 CO -0.07 0.34 0.49 -0.06 -0.92 0.00 0.00 175.35 175.13 3kyl s PHE 148 N -0.30 3.17 -0.05 3.18 0.40 -1.26 -2.29 117.98 120.83 3kyl s PHE 148 Ca 0.39 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 3kyl s PHE 148 Cb -0.21 -2.92 -0.03 0.00 0.51 0.00 0.00 43.02 40.37 3kyl s PHE 148 CO 0.25 -0.58 -0.14 0.42 0.70 0.00 0.00 175.22 175.86 3kyl s ILE 149 N 2.33 3.06 0.12 0.64 -1.09 -0.97 -4.95 121.20 120.34 3kyl s ILE 149 Ca 0.17 -0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 57.56 3kyl s ILE 149 Cb -0.16 -2.20 -0.10 0.00 -1.58 0.00 0.00 42.46 38.42 3kyl s ILE 149 CO 0.14 0.59 1.80 -0.13 -1.23 0.00 0.00 174.94 176.11 3kyl s ARG 150 N -0.69 4.14 0.48 2.79 0.52 -1.26 0.87 118.95 125.81 3kyl s ARG 150 Ca 0.10 2.57 0.22 0.00 -0.52 0.00 0.00 55.73 58.11 3kyl s ARG 150 Cb -0.11 -3.56 1.25 0.00 0.52 0.00 0.00 34.95 33.05 3kyl s ARG 150 CO 0.01 -0.83 1.93 -0.22 0.02 0.00 0.00 175.30 176.21 3kyl h LYS 151 N 8.46 0.20 -0.12 3.54 3.64 -1.70 -1.87 116.57 128.71 3kyl h LYS 151 Ca -0.45 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3kyl h LYS 151 Cb 1.21 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3kyl h LYS 151 CO 0.95 0.13 0.04 1.05 -2.27 0.00 0.00 179.45 179.34 3kyl h GLU 152 N 0.20 0.19 0.00 1.90 4.11 -1.90 -2.84 114.58 116.25 3kyl h GLU 152 Ca 0.36 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.65 3kyl h GLU 152 Cb 1.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3kyl h GLU 152 CO -0.07 0.34 -0.54 0.93 0.07 0.00 0.00 179.01 179.74 3kyl h GLU 153 N 0.01 0.00 -0.13 1.06 4.39 -1.79 -3.10 114.58 115.01 3kyl h GLU 153 Ca 0.04 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 3kyl h GLU 153 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3kyl h GLU 153 CO -0.00 0.40 -0.60 -0.92 -1.16 0.00 0.00 179.01 176.72 3kyl h TYR 154 N 0.00 0.59 -0.02 4.33 3.20 -1.39 -0.36 116.97 123.32 3kyl h TYR 154 Ca -0.02 -0.22 -0.17 0.00 3.14 0.00 0.00 58.73 61.46 3kyl h TYR 154 Cb 1.34 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 3kyl h TYR 154 CO 0.00 0.94 -0.77 0.82 -1.64 0.00 0.00 178.16 177.51 3kyl h ILE 155 N 0.34 1.47 -0.01 1.81 2.04 -1.55 0.12 117.51 121.74 3kyl h ILE 155 Ca -0.01 -2.43 -0.12 0.00 1.00 0.00 0.00 64.86 63.30 3kyl h ILE 155 Cb 1.15 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.53 3kyl h ILE 155 CO 0.11 0.71 -0.57 0.77 0.00 0.00 0.00 178.15 179.16 3kyl h SER 156 N 0.10 0.04 -0.30 1.72 4.64 -1.48 -1.29 113.55 116.98 3kyl h SER 156 Ca -0.03 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 3kyl h SER 156 Cb 1.35 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3kyl h SER 156 CO 0.11 0.60 -0.23 0.15 -0.87 0.00 0.00 176.83 176.60 3kyl h PHE 157 N 0.02 0.81 -0.43 4.77 3.57 -0.82 -2.91 116.94 121.97 3kyl h PHE 157 Ca -0.01 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 61.17 3kyl h PHE 157 Cb 1.02 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3kyl h PHE 157 CO 0.00 0.95 -0.12 1.49 -2.23 0.00 0.00 178.31 178.41 3kyl h GLU 158 N 0.44 0.77 0.00 1.11 4.81 -0.61 -2.57 114.58 118.54 3kyl h GLU 158 Ca 0.06 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 3kyl h GLU 158 Cb 0.79 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3kyl h GLU 158 CO 0.06 0.86 -0.39 0.77 -0.73 0.00 0.00 179.01 179.58 3kyl h SER 159 N 0.70 0.00 0.15 1.04 0.02 -1.30 0.73 113.55 114.89 3kyl h SER 159 Ca 0.12 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 3kyl h SER 159 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3kyl h SER 159 CO 0.04 0.39 -0.52 0.11 -1.14 0.00 0.00 176.83 175.71 3kyl h LYS 160 N 0.00 0.40 0.13 3.45 1.57 -1.25 -2.58 116.57 118.29 3kyl h LYS 160 Ca -0.00 -0.24 -0.33 0.00 -1.87 0.00 0.00 60.65 58.21 3kyl h LYS 160 Cb 0.93 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3kyl h LYS 160 CO 0.05 0.83 -1.70 0.28 -0.57 0.00 0.00 179.45 178.34 3kyl h VAL 161 N 0.32 0.86 -0.05 0.50 2.07 -1.30 -3.30 116.25 115.35 3kyl h VAL 161 Ca 0.01 -2.40 0.01 0.00 0.82 0.00 0.00 66.70 65.14 3kyl h VAL 161 Cb 1.02 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.42 3kyl h VAL 161 CO 0.09 0.79 0.06 0.15 0.02 0.00 0.00 177.57 178.68 3kyl h PHE 162 N -0.10 0.00 -0.09 1.57 3.57 -0.96 -2.20 116.94 118.73 3kyl h PHE 162 Ca -0.36 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 3kyl h PHE 162 Cb 1.93 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.66 3kyl h PHE 162 CO 0.10 0.00 0.00 1.25 -2.23 0.00 0.00 178.31 177.43 3kyl h HIS 163 N 0.00 0.18 -0.06 0.41 2.76 -1.54 -2.67 115.15 114.23 3kyl h HIS 163 Ca 0.02 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3kyl h HIS 163 Cb 0.13 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 3kyl h HIS 163 CO 0.00 0.41 -0.12 0.87 -1.30 0.00 0.00 177.93 177.79 3kyl h LYS 164 N -0.11 -0.17 -0.40 5.26 1.57 -1.48 0.26 116.57 121.51 3kyl h LYS 164 Ca 0.03 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3kyl h LYS 164 Cb 0.34 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3kyl h LYS 164 CO 0.00 -0.11 0.07 -0.07 -0.57 0.00 0.00 179.45 178.77 3kyl h LEU 165 N -0.17 0.56 -0.09 2.94 3.38 -1.60 0.38 115.31 120.72 3kyl h LEU 165 Ca 0.06 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 3kyl h LEU 165 Cb 0.26 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kyl h LEU 165 CO -0.17 0.59 -0.85 0.50 0.09 0.00 0.00 178.44 178.60 3kyl h LYS 166 N 0.59 0.73 -0.03 1.13 3.64 -1.17 -2.89 116.57 118.57 3kyl h LYS 166 Ca 0.13 -0.67 -0.17 0.00 -1.27 0.00 0.00 60.65 58.67 3kyl h LYS 166 Cb 0.27 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3kyl h LYS 166 CO 0.00 1.27 -0.74 -0.22 -2.27 0.00 0.00 179.45 177.49 3kyl h LYS 167 N 0.43 0.22 0.00 1.90 3.11 -0.04 -3.42 116.57 118.78 3kyl h LYS 167 Ca -0.08 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 3kyl h LYS 167 Cb 1.49 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.77 3kyl h LYS 167 CO 0.17 0.86 0.00 -0.12 -2.81 0.00 0.00 179.45 177.56 3kyl n MET 168 N -3.76 0.00 0.00 1.90 1.56 0.13 -5.03 117.12 111.91 3kyl n MET 168 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 3kyl n MET 168 Cb 0.71 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.08 3kyl n MET 168 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 3kyl n LYS 169 N 0.00 0.00 0.17 2.12 4.81 -1.23 -4.97 118.16 119.05 3kyl n LYS 169 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 3kyl n LYS 169 Cb 0.00 0.00 0.56 0.00 0.02 0.00 0.00 35.03 35.61 3kyl n LYS 169 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3kyl h TYR 170 N 0.00 0.18 -3.30 5.64 -1.99 -1.89 -3.41 116.97 112.20 3kyl h TYR 170 Ca 0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 3kyl h TYR 170 Cb 0.41 -0.06 -0.37 0.00 2.00 0.00 0.00 36.73 38.72 3kyl h TYR 170 CO 0.00 0.12 -0.78 -1.17 -0.00 0.00 0.00 178.16 176.33 3kyl s LEU 171 N -9.19 0.95 -0.08 3.88 2.96 -1.09 -2.10 118.68 114.01 3kyl s LEU 171 Ca -0.06 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3kyl s LEU 171 Cb 0.17 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.34 3kyl s LEU 171 CO 0.69 -0.13 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.79 3kyl s VAL 172 N 1.58 1.10 0.30 1.68 1.01 -0.44 -4.40 120.40 121.23 3kyl s VAL 172 Ca -0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3kyl s VAL 172 Cb -0.13 -1.04 -0.11 0.00 0.00 0.00 0.00 36.38 35.11 3kyl s VAL 172 CO -0.04 0.36 1.51 -0.70 0.00 0.00 0.00 175.10 176.22 3kyl s GLU 173 N 0.99 4.18 -0.19 2.72 2.12 -1.26 0.94 118.70 128.21 3kyl s GLU 173 Ca -0.08 2.46 -0.14 0.00 0.36 0.00 0.00 54.97 57.57 3kyl s GLU 173 Cb -0.15 -3.04 -0.21 0.00 0.26 0.00 0.00 34.13 30.99 3kyl s GLU 173 CO -0.00 -0.52 0.17 1.55 -0.54 0.00 0.00 175.26 175.93 3kyl n VAL 174 N 1.83 1.62 -2.91 3.70 3.14 -0.71 -4.79 118.33 120.22 3kyl n VAL 174 Ca 0.06 -0.33 -0.05 0.00 -2.96 0.00 0.00 64.34 61.07 3kyl n VAL 174 Cb 0.39 -1.87 0.01 0.00 -1.06 0.00 0.00 33.84 31.30 3kyl n VAL 174 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3kyl n GLN 175 N -4.00 -2.48 0.00 1.45 -0.06 -1.26 -5.05 117.38 105.98 3kyl n GLN 175 Ca -0.36 2.13 0.00 0.00 -2.00 0.00 0.00 57.00 56.78 3kyl n GLN 175 Cb 0.86 -4.24 0.00 0.00 -4.06 0.00 0.00 30.24 22.80 3kyl n GLN 175 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 3kyl n ASP 176 N 0.58 0.00 0.00 1.69 2.03 -1.26 -5.03 116.55 114.55 3kyl n ASP 176 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 3kyl n ASP 176 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 3kyl n ASP 176 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kyl n GLU 177 N 0.00 0.00 -2.35 -0.67 1.02 -1.26 -4.72 120.64 112.66 3kyl n GLU 177 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 3kyl n GLU 177 Cb 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 3kyl n GLU 177 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kyl n VAL 178 N 0.00 3.93 -1.49 2.62 0.31 -1.26 -4.85 118.33 117.59 3kyl n VAL 178 Ca 0.00 -3.95 0.00 0.00 -0.01 0.00 0.00 64.34 60.38 3kyl n VAL 178 Cb 0.00 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.48 3kyl n VAL 178 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kyl n LYS 179 N 6.35 -0.26 -1.95 5.55 5.02 -1.26 -4.91 118.16 126.70 3kyl n LYS 179 Ca 0.46 0.39 -0.34 0.00 -2.02 0.00 0.00 58.31 56.80 3kyl n LYS 179 Cb 0.41 -0.38 0.03 0.00 -0.02 0.00 0.00 35.03 35.07 3kyl n LYS 179 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kyl s PRO 180 N -0.27 3.04 0.11 1.97 0.04 -1.26 -4.91 135.00 133.72 3kyl s PRO 180 Ca 0.00 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 3kyl s PRO 180 Cb 0.00 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3kyl s PRO 180 CO 0.00 -1.07 1.43 -0.09 0.04 0.00 0.00 177.00 177.31 3kyl h ARG 181 N 0.44 0.78 0.00 4.56 2.43 -1.27 -3.48 114.38 117.84 3kyl h ARG 181 Ca -0.48 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.26 3kyl h ARG 181 Cb 1.25 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3kyl h ARG 181 CO 0.55 1.06 0.00 0.41 -1.51 0.00 0.00 179.97 180.48 3kyl n GLY 182 N 0.20 1.86 3.55 2.80 0.00 -1.25 -3.45 105.19 108.89 3kyl n GLY 182 Ca -0.04 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3kyl n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyl s VAL 183 N -2.28 3.79 0.08 1.61 0.11 -0.25 -1.85 120.40 121.61 3kyl s VAL 183 Ca 0.00 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.32 3kyl s VAL 183 Cb 0.00 -2.59 -0.05 0.00 -1.53 0.00 0.00 36.38 32.20 3kyl s VAL 183 CO 0.00 0.56 1.05 -0.22 -3.33 0.00 0.00 175.10 173.16 3kyl s LEU 184 N -0.34 4.43 -0.02 2.54 0.20 0.59 -0.86 118.68 125.22 3kyl s LEU 184 Ca 0.05 1.86 0.07 0.00 0.69 0.00 0.00 54.13 56.80 3kyl s LEU 184 Cb -0.12 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.04 3kyl s LEU 184 CO 0.02 -0.25 -0.23 0.20 -0.29 0.00 0.00 176.35 175.80 3kyl s ASN 185 N 0.54 2.74 -0.44 3.68 -0.87 -0.53 -4.83 114.94 115.23 3kyl s ASN 185 Ca 0.52 -0.43 -0.08 0.00 -1.57 0.00 0.00 52.86 51.30 3kyl s ASN 185 Cb -0.25 -0.36 0.10 0.00 -0.02 0.00 0.00 41.25 40.72 3kyl s ASN 185 CO 0.30 0.28 0.28 -0.63 -2.57 0.00 0.00 177.10 174.76 3kyl s ILE 186 N -0.49 4.08 -0.16 0.60 -1.09 -1.26 -2.42 121.20 120.46 3kyl s ILE 186 Ca 0.07 -1.64 -0.07 0.00 -2.23 0.00 0.00 60.65 56.79 3kyl s ILE 186 Cb -0.09 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3kyl s ILE 186 CO -0.00 -0.63 0.07 -0.63 -1.23 0.00 0.00 174.94 172.52 3kyl s ILE 187 N 1.36 4.87 0.77 2.92 1.01 0.10 -4.90 121.20 127.33 3kyl s ILE 187 Ca 0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 3kyl s ILE 187 Cb -0.24 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.09 3kyl s ILE 187 CO 0.00 0.50 1.04 -2.65 0.00 0.00 0.00 174.94 173.83 3kyl n PRO 188 N 3.17 0.36 0.00 2.79 -0.02 -1.26 0.12 135.00 140.16 3kyl n PRO 188 Ca -0.17 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3kyl n PRO 188 Cb 0.53 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3kyl n PRO 188 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kyl n LYS 189 N -2.41 0.00 0.00 -0.52 3.00 -0.30 -4.65 118.16 113.28 3kyl n LYS 189 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 3kyl n LYS 189 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 3kyl n LYS 189 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3kyl n GLN 190 N 0.00 0.00 0.00 1.64 1.13 -1.26 -4.70 117.38 114.19 3kyl n GLN 190 Ca 0.00 0.12 0.06 0.00 -1.94 0.00 0.00 57.00 55.24 3kyl n GLN 190 Cb 0.00 -0.52 -0.06 0.00 0.11 0.00 0.00 30.24 29.77 3kyl n GLN 190 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3kyl n ASP 191 N -1.23 0.69 -1.51 1.08 5.75 -1.26 -5.05 116.55 115.02 3kyl n ASP 191 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3kyl n ASP 191 Cb 0.00 0.93 0.00 0.00 -1.03 0.00 0.00 41.12 41.02 3kyl n ASP 191 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kyl n ASN 192 N -1.14 0.00 -1.83 -1.12 2.85 -1.26 -5.15 115.26 107.61 3kyl n ASN 192 Ca 0.03 -0.32 -0.03 0.00 -0.11 0.00 0.00 54.58 54.15 3kyl n ASN 192 Cb 0.20 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.22 3kyl n ASN 192 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 3kyl n PHE 193 N -0.45 0.04 -3.67 1.20 -1.74 -1.26 -1.15 117.46 110.43 3kyl n PHE 193 Ca 0.00 -0.24 -0.08 0.00 -0.56 0.00 0.00 57.45 56.57 3kyl n PHE 193 Cb 0.00 -0.01 -0.09 0.00 1.52 0.00 0.00 39.48 40.90 3kyl n PHE 193 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 3kyl s ARG 194 N -2.15 0.44 -0.55 3.97 6.06 0.32 -4.43 118.95 122.61 3kyl s ARG 194 Ca 0.01 1.05 -0.06 0.00 -2.50 0.00 0.00 55.73 54.23 3kyl s ARG 194 Cb 0.00 0.27 0.14 0.00 0.06 0.00 0.00 34.95 35.42 3kyl s ARG 194 CO 0.01 -0.20 0.39 0.00 -2.50 0.00 0.00 175.30 173.00 3kyl s ALA 195 N 2.12 3.48 0.41 6.12 0.00 -1.26 -0.72 121.76 131.90 3kyl s ALA 195 Ca -0.06 -2.86 0.07 0.00 0.00 0.00 0.00 51.96 49.12 3kyl s ALA 195 Cb -0.10 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 3kyl s ALA 195 CO -0.15 -1.99 0.17 0.96 0.00 0.00 0.00 175.76 174.75 3kyl s ILE 196 N 0.73 2.31 -0.18 0.00 -5.25 -1.01 -4.34 121.20 113.45 3kyl s ILE 196 Ca 0.11 -1.72 -0.01 0.00 -0.99 0.00 0.00 60.65 58.05 3kyl s ILE 196 Cb -0.22 -3.00 0.00 0.00 2.95 0.00 0.00 42.46 42.20 3kyl s ILE 196 CO -0.03 -0.01 -0.14 0.68 -1.79 0.00 0.00 174.94 173.65 3kyl s VAL 197 N -2.60 2.69 -0.36 8.37 -7.23 -0.23 -1.45 120.40 119.60 3kyl s VAL 197 Ca 0.41 -0.74 -0.29 0.00 -1.81 0.00 0.00 61.98 59.54 3kyl s VAL 197 Cb 0.04 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.83 3kyl s VAL 197 CO 0.22 0.50 1.19 -0.55 -0.31 0.00 0.00 175.10 176.15 3kyl s SER 198 N 1.10 6.73 0.15 4.85 0.15 -0.04 -4.61 113.70 122.03 3kyl s SER 198 Ca 0.00 0.94 -0.29 0.00 0.70 0.00 0.00 55.95 57.30 3kyl s SER 198 Cb -0.14 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.55 3kyl s SER 198 CO -0.04 -1.08 0.93 -0.63 1.20 0.00 0.00 173.24 173.62 3kyl s ILE 199 N 4.22 4.38 0.14 6.45 -1.09 -1.26 -1.09 121.20 132.95 3kyl s ILE 199 Ca 0.51 2.03 -0.31 0.00 -2.23 0.00 0.00 60.65 60.64 3kyl s ILE 199 Cb -0.12 -4.30 -0.10 0.00 -1.58 0.00 0.00 42.46 36.36 3kyl s ILE 199 CO 0.23 0.38 1.58 -0.36 -1.23 0.00 0.00 174.94 175.54 3kyl s PHE 200 N -0.41 2.95 -0.94 3.97 2.99 -1.22 -4.90 117.98 120.41 3kyl s PHE 200 Ca 0.44 0.58 -0.24 0.00 0.00 0.00 0.00 56.93 57.71 3kyl s PHE 200 Cb -0.24 -3.92 -0.16 0.00 0.00 0.00 0.00 43.02 38.69 3kyl s PHE 200 CO 0.30 -3.46 1.93 -0.35 -0.00 0.00 0.00 175.22 173.63 3kyl n PRO 201 N 4.27 1.13 -3.53 0.24 -0.04 -1.26 -4.82 135.00 130.99 3kyl n PRO 201 Ca 0.14 -2.03 -0.40 0.00 -0.04 0.00 0.00 63.50 61.18 3kyl n PRO 201 Cb 0.39 -3.45 -0.04 0.00 -0.04 0.00 0.00 33.50 30.35 3kyl n PRO 201 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3kyl s ASP 202 N 6.57 6.41 -0.20 3.54 2.15 -1.26 -5.02 116.67 128.85 3kyl s ASP 202 Ca 0.68 -3.55 -0.04 0.00 0.43 0.00 0.00 52.55 50.07 3kyl s ASP 202 Cb 0.04 -2.02 0.07 0.00 -0.30 0.00 0.00 42.92 40.71 3kyl s ASP 202 CO 0.17 -0.25 0.07 -0.94 -0.17 0.00 0.00 175.17 174.04 3kyl s SER 203 N 0.52 2.83 0.76 -0.34 1.04 -1.26 -2.93 113.70 114.32 3kyl s SER 203 Ca 0.27 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3kyl s SER 203 Cb -0.09 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.58 3kyl s SER 203 CO -0.10 -0.34 0.00 0.00 0.98 0.00 0.00 173.24 173.77 3kyl n ALA 204 N 5.15 0.00 0.00 5.32 0.00 -1.26 -4.89 120.51 124.82 3kyl n ALA 204 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kyl n ALA 204 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3kyl n ALA 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kyl n ARG 205 N 0.00 0.00 -0.05 0.00 1.74 -1.15 -3.22 116.66 113.98 3kyl n ARG 205 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3kyl n ARG 205 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3kyl n ARG 205 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3kyl h LYS 206 N 0.00 -0.40 0.00 5.56 3.64 -1.91 0.93 116.57 124.39 3kyl h LYS 206 Ca 0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3kyl h LYS 206 Cb 0.00 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3kyl h LYS 206 CO 0.00 -0.27 -0.17 -1.00 -2.27 0.00 0.00 179.45 175.74 3kyl h PRO 207 N -0.42 0.00 0.38 1.90 0.13 -1.95 -1.86 132.00 130.18 3kyl h PRO 207 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3kyl h PRO 207 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3kyl h PRO 207 CO -0.47 0.17 -0.18 0.35 -0.23 0.00 0.00 178.00 177.64 3kyl h PHE 208 N 0.00 -0.47 -0.99 1.56 -0.00 -1.15 -2.50 116.94 113.39 3kyl h PHE 208 Ca -0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 57.97 58.10 3kyl h PHE 208 Cb 0.65 0.16 -0.09 0.00 -0.00 0.00 0.00 35.95 36.66 3kyl h PHE 208 CO 0.00 -0.15 0.61 0.74 -0.00 0.00 0.00 178.31 179.51 3kyl h PHE 209 N -0.93 1.09 0.00 0.41 0.04 0.75 -0.19 116.94 118.11 3kyl h PHE 209 Ca -0.05 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 3kyl h PHE 209 Cb 0.54 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 3kyl h PHE 209 CO 0.03 0.37 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.88 3kyl h LYS 210 N 0.90 0.00 0.03 1.51 3.64 -1.27 -1.57 116.57 119.81 3kyl h LYS 210 Ca 0.52 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.64 3kyl h LYS 210 Cb 0.61 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3kyl h LYS 210 CO -0.31 0.01 -1.34 1.25 -2.27 0.00 0.00 179.45 176.79 3kyl h LEU 211 N 0.00 0.10 -0.21 5.20 7.12 -0.58 -3.17 115.31 123.78 3kyl h LEU 211 Ca -0.00 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.84 3kyl h LEU 211 Cb 0.01 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 3kyl h LEU 211 CO 0.00 1.11 0.00 -0.07 -0.13 0.00 0.00 178.44 179.36 3kyl h LEU 212 N 0.02 0.36 -1.00 2.25 4.07 -0.74 -2.90 115.31 117.37 3kyl h LEU 212 Ca -0.15 -0.31 -0.09 0.00 0.08 0.00 0.00 57.88 57.41 3kyl h LEU 212 Cb 1.90 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 43.54 3kyl h LEU 212 CO 0.12 0.58 -0.30 0.71 -1.08 0.00 0.00 178.44 178.47 3kyl h THR 213 N 0.13 1.27 -0.39 0.22 1.35 -1.58 -2.06 112.91 111.84 3kyl h THR 213 Ca 0.06 -1.30 -0.01 0.00 -0.55 0.00 0.00 66.41 64.60 3kyl h THR 213 Cb 0.40 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3kyl h THR 213 CO 0.01 0.40 0.18 -1.28 -0.25 0.00 0.00 175.52 174.59 3kyl h SER 214 N 0.31 0.49 0.71 5.36 0.87 -1.51 -1.69 113.55 118.10 3kyl h SER 214 Ca 0.04 -0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.34 3kyl h SER 214 Cb 0.69 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 3kyl h SER 214 CO 0.05 0.43 -1.41 0.11 -0.53 0.00 0.00 176.83 175.48 3kyl h LYS 215 N 0.55 0.00 0.00 2.24 1.57 -1.27 -3.04 116.57 116.62 3kyl h LYS 215 Ca 0.14 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 3kyl h LYS 215 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3kyl h LYS 215 CO -0.02 0.50 -0.60 0.82 -0.57 0.00 0.00 179.45 179.58 3kyl h ILE 216 N 0.00 1.42 0.00 1.86 2.04 -1.22 -2.48 117.51 119.13 3kyl h ILE 216 Ca -0.18 -2.08 -0.00 0.00 1.00 0.00 0.00 64.86 63.60 3kyl h ILE 216 Cb 1.79 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 40.00 3kyl h ILE 216 CO 0.08 0.59 -0.01 1.88 0.00 0.00 0.00 178.15 180.69 3kyl h TYR 217 N 0.00 0.00 0.04 1.37 0.05 -1.37 -2.59 116.97 114.46 3kyl h TYR 217 Ca -0.01 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.55 3kyl h TYR 217 Cb 1.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 3kyl h TYR 217 CO 0.00 0.01 -0.99 0.87 -1.05 0.00 0.00 178.16 176.99 3kyl h LYS 218 N 0.00 0.21 -0.41 4.88 1.79 -1.37 -3.22 116.57 118.44 3kyl h LYS 218 Ca -0.00 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 58.08 3kyl h LYS 218 Cb 0.77 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 3kyl h LYS 218 CO 0.00 1.04 -0.20 0.28 -1.08 0.00 0.00 179.45 179.49 3kyl h VAL 219 N 0.09 1.28 -0.75 0.50 2.07 -1.32 -3.01 116.25 115.12 3kyl h VAL 219 Ca -0.07 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 3kyl h VAL 219 Cb 1.67 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 3kyl h VAL 219 CO 0.15 0.45 0.29 -0.07 0.02 0.00 0.00 177.57 178.42 3kyl h LEU 220 N 0.68 1.02 -0.08 2.57 3.38 -1.53 -0.99 115.31 120.37 3kyl h LEU 220 Ca 0.09 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.66 3kyl h LEU 220 Cb 0.76 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3kyl h LEU 220 CO 0.06 0.91 -0.97 1.05 0.09 0.00 0.00 178.44 179.59 3kyl h GLU 221 N 1.09 0.66 0.00 1.13 4.11 -1.60 -2.17 114.58 117.80 3kyl h GLU 221 Ca 0.25 -0.67 -0.19 0.00 0.07 0.00 0.00 59.36 58.83 3kyl h GLU 221 Cb 0.21 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3kyl h GLU 221 CO -0.02 1.26 -0.90 0.93 0.07 0.00 0.00 179.01 180.35 3kyl h GLU 222 N 0.39 0.00 0.00 1.06 5.08 -1.41 -3.40 114.58 116.29 3kyl h GLU 222 Ca -0.10 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.91 3kyl h GLU 222 Cb 1.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.81 3kyl h GLU 222 CO 0.19 0.89 -2.14 1.63 -1.00 0.00 0.00 179.01 178.57 3kyl n LYS 223 N -3.32 0.51 -2.58 2.33 4.76 -0.38 -5.05 118.16 114.42 3kyl n LYS 223 Ca 0.00 0.22 -0.23 0.00 -2.87 0.00 0.00 58.31 55.43 3kyl n LYS 223 Cb 0.90 -1.36 0.04 0.00 -1.84 0.00 0.00 35.03 32.77 3kyl n LYS 223 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3kyl s TYR 224 N -2.50 2.98 0.01 2.13 1.51 -0.81 -4.99 117.35 115.69 3kyl s TYR 224 Ca -0.33 0.21 -0.31 0.00 -1.01 0.00 0.00 57.07 55.63 3kyl s TYR 224 Cb 0.12 -2.77 -0.09 0.00 -0.11 0.00 0.00 41.96 39.11 3kyl s TYR 224 CO 0.42 -0.89 1.98 1.63 -1.11 0.00 0.00 175.55 177.57 3kyl n LYS 225 N -2.45 2.76 -1.84 -0.62 5.02 -1.26 -4.66 118.16 115.11 3kyl n LYS 225 Ca 0.06 1.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.99 3kyl n LYS 225 Cb 0.59 -2.97 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 3kyl n LYS 225 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kyl s THR 226 N 4.55 3.21 -0.29 -0.18 -4.23 -1.26 -4.84 115.64 112.60 3kyl s THR 226 Ca 0.90 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 61.48 3kyl s THR 226 Cb -0.46 -3.56 0.07 0.00 1.34 0.00 0.00 72.50 69.89 3kyl s THR 226 CO 0.43 -0.54 2.53 -1.54 -0.54 0.00 0.00 174.62 174.97 3kyl n SER 227 N 14.19 6.19 0.00 3.99 3.41 -1.26 -4.94 113.62 135.20 3kyl n SER 227 Ca 0.28 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 3kyl n SER 227 Cb 0.53 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 3kyl n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kyl n GLY 228 N 0.97 0.93 0.00 5.00 0.00 -1.26 -4.80 105.19 106.03 3kyl n GLY 228 Ca 0.36 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3kyl n GLY 228 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kyl n SER 229 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.98 113.62 111.87 3kyl n SER 229 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3kyl n SER 229 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3kyl n SER 229 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3kyl n LEU 230 N 0.00 0.00 -0.04 2.46 7.94 -1.26 -4.80 117.00 121.30 3kyl n LEU 230 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.69 3kyl n LEU 230 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 3kyl n LEU 230 CO 0.00 0.00 -0.56 0.22 -1.11 0.00 0.00 177.39 175.94 3kyl h TYR 231 N 0.00 0.26 -0.53 1.96 3.20 -1.99 -3.34 116.97 116.52 3kyl h TYR 231 Ca 0.00 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.66 3kyl h TYR 231 Cb 0.00 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3kyl h TYR 231 CO 0.00 1.58 0.23 1.15 -1.64 0.00 0.00 178.16 179.48 3kyl h THR 232 N -0.50 1.21 0.17 1.81 2.02 -1.96 -0.30 112.91 115.36 3kyl h THR 232 Ca -0.35 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 3kyl h THR 232 Cb 1.63 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3kyl h THR 232 CO -0.05 0.24 -0.12 0.00 0.37 0.00 0.00 175.52 175.96 3kyl h TRP 234 N -0.29 1.06 -0.02 0.00 2.91 -1.67 -2.01 115.95 115.93 3kyl h TRP 234 Ca -0.01 -0.28 0.00 0.00 1.13 0.00 0.00 58.89 59.73 3kyl h TRP 234 Cb 0.26 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 28.67 3kyl h TRP 234 CO -0.10 1.08 0.01 1.03 -1.03 0.00 0.00 178.44 179.43 3kyl h SER 235 N 0.74 0.02 -0.52 2.65 0.87 -0.96 -1.26 113.55 115.09 3kyl h SER 235 Ca 0.09 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 3kyl h SER 235 Cb 0.82 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3kyl h SER 235 CO 0.07 0.04 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.03 3kyl h GLU 236 N 0.00 0.95 -0.34 2.24 5.08 -1.24 -2.58 114.58 118.70 3kyl h GLU 236 Ca 0.01 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3kyl h GLU 236 Cb 0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3kyl h GLU 236 CO -0.00 0.99 0.19 0.35 -1.00 0.00 0.00 179.01 179.54 3kyl h PHE 237 N 0.82 0.46 -0.36 4.33 3.57 -1.18 -1.65 116.94 122.92 3kyl h PHE 237 Ca 0.14 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3kyl h PHE 237 Cb 0.59 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3kyl h PHE 237 CO 0.04 0.36 -0.15 1.79 -2.23 0.00 0.00 178.31 178.13 3kyl h THR 238 N 0.43 1.25 -0.73 4.41 1.35 -1.23 -1.89 112.91 116.50 3kyl h THR 238 Ca 0.12 -1.17 -0.06 0.00 -0.55 0.00 0.00 66.41 64.75 3kyl h THR 238 Cb 0.05 1.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 3kyl h THR 238 CO -0.02 0.39 0.23 1.56 -0.25 0.00 0.00 175.52 177.43 3kyl h GLN 239 N 0.59 1.14 0.01 4.72 4.20 -1.19 -3.17 115.11 121.41 3kyl h GLN 239 Ca 0.10 -0.25 -0.22 0.00 0.06 0.00 0.00 58.65 58.35 3kyl h GLN 239 Cb 0.59 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 3kyl h GLN 239 CO 0.04 0.97 -1.02 1.57 -0.67 0.00 0.00 178.83 179.72 3kyl h LYS 240 N 1.08 0.03 -6.07 1.46 2.10 -1.18 -3.45 116.57 110.54 3kyl h LYS 240 Ca 0.24 -0.05 -0.56 0.00 -2.00 0.00 0.00 60.65 58.27 3kyl h LYS 240 Cb 0.31 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.61 3kyl h LYS 240 CO -0.01 1.02 0.04 0.99 -2.00 0.00 0.00 179.45 179.49 3kyl s THR 241 N -2.72 4.95 -0.08 0.07 2.01 -0.72 -4.96 115.64 114.19 3kyl s THR 241 Ca 0.00 1.36 0.11 0.00 0.31 0.00 0.00 61.69 63.47 3kyl s THR 241 Cb 0.10 -3.99 -0.15 0.00 0.01 0.00 0.00 72.50 68.46 3kyl s THR 241 CO 0.83 0.34 0.11 0.00 -0.69 0.00 0.00 174.62 175.21 3kyl n GLN 242 N 3.21 1.60 -0.20 4.92 3.00 -1.26 -4.87 117.38 123.77 3kyl n GLN 242 Ca -0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3kyl n GLN 242 Cb 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.47 3kyl n GLN 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kyl n GLY 243 N 2.16 0.04 3.69 1.08 0.00 -1.26 -5.02 105.19 105.87 3kyl n GLY 243 Ca -0.13 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3kyl n GLY 243 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kyl s GLN 244 N -1.11 4.30 0.09 1.61 2.00 -1.26 -5.01 119.66 120.28 3kyl s GLN 244 Ca 0.00 1.84 -0.30 0.00 -2.00 0.00 0.00 55.36 54.90 3kyl s GLN 244 Cb 0.00 -3.58 -0.05 0.00 0.80 0.00 0.00 33.01 30.17 3kyl s GLN 244 CO 0.00 -0.54 0.99 0.42 -0.50 0.00 0.00 175.29 175.67 3kyl s ILE 245 N 2.40 4.48 0.03 -2.34 1.01 -1.25 -4.47 121.20 121.06 3kyl s ILE 245 Ca 0.61 1.98 0.04 0.00 0.00 0.00 0.00 60.65 63.28 3kyl s ILE 245 Cb -0.28 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 3kyl s ILE 245 CO 0.24 0.27 -0.08 -0.31 0.00 0.00 0.00 174.94 175.05 3kyl s TYR 246 N 0.26 2.82 0.02 3.97 1.51 0.48 -4.66 117.35 121.74 3kyl s TYR 246 Ca 0.49 -0.09 -0.24 0.00 -1.01 0.00 0.00 57.07 56.22 3kyl s TYR 246 Cb -0.24 -1.56 0.05 0.00 -0.11 0.00 0.00 41.96 40.11 3kyl s TYR 246 CO 0.30 0.37 0.54 0.20 -1.11 0.00 0.00 175.55 175.85 3kyl s GLY 247 N -1.57 -0.44 -0.01 0.71 0.00 -1.26 0.05 107.32 104.80 3kyl s GLY 247 Ca 0.18 0.77 0.02 0.00 0.00 0.00 0.00 44.72 45.68 3kyl s GLY 247 CO 0.09 0.46 -0.05 -1.50 0.00 0.00 0.00 173.10 172.10 3kyl s ILE 248 N -1.99 0.41 -0.10 0.90 2.07 0.38 -2.96 121.20 119.91 3kyl s ILE 248 Ca -0.08 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 58.98 3kyl s ILE 248 Cb -0.01 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.24 3kyl s ILE 248 CO 0.02 0.12 -0.22 -0.75 -1.91 0.00 0.00 174.94 172.20 3kyl s LYS 249 N -0.09 2.82 -0.09 3.50 2.20 -0.51 -1.43 119.74 126.15 3kyl s LYS 249 Ca 0.02 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.87 3kyl s LYS 249 Cb -0.02 -2.18 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 3kyl s LYS 249 CO -0.00 0.11 -0.22 0.14 -0.36 0.00 0.00 175.35 175.02 3kyl s VAL 250 N 0.50 2.27 -0.07 4.02 -7.23 -0.94 -2.30 120.40 116.63 3kyl s VAL 250 Ca -0.16 -0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.86 3kyl s VAL 250 Cb -0.17 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 3kyl s VAL 250 CO 0.06 0.56 0.51 -1.81 -0.31 0.00 0.00 175.10 174.11 3kyl s ASP 251 N 0.12 6.79 0.05 4.85 1.01 -1.26 -2.47 116.67 125.76 3kyl s ASP 251 Ca -0.11 0.94 -0.24 0.00 0.71 0.00 0.00 52.55 53.86 3kyl s ASP 251 Cb -0.16 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 3kyl s ASP 251 CO 0.06 0.06 0.71 -0.63 0.21 0.00 0.00 175.17 175.59 3kyl s ILE 252 N 0.21 4.73 0.17 0.77 1.09 -0.45 0.14 121.20 127.87 3kyl s ILE 252 Ca 0.28 1.52 -0.31 0.00 -1.10 0.00 0.00 60.65 61.03 3kyl s ILE 252 Cb -0.16 -4.06 -0.09 0.00 -1.06 0.00 0.00 42.46 37.09 3kyl s ILE 252 CO 0.13 0.41 1.44 -0.60 -0.10 0.00 0.00 174.94 176.22 3kyl s ARG 253 N -0.29 4.29 -0.05 2.79 6.06 -0.74 -4.35 118.95 126.67 3kyl s ARG 253 Ca 0.36 2.21 -0.04 0.00 -2.50 0.00 0.00 55.73 55.76 3kyl s ARG 253 Cb -0.20 -3.18 0.01 0.00 0.06 0.00 0.00 34.95 31.64 3kyl s ARG 253 CO 0.22 -0.46 0.07 -3.47 -2.50 0.00 0.00 175.30 169.16 3kyl n ASP 254 N 3.37 -0.61 -0.11 -2.12 4.64 -1.26 -4.79 116.55 115.67 3kyl n ASP 254 Ca 0.10 -0.01 -0.07 0.00 -1.38 0.00 0.00 54.79 53.43 3kyl n ASP 254 Cb 0.41 -0.17 0.11 0.00 -1.04 0.00 0.00 41.12 40.42 3kyl n ASP 254 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3kyl h ALA 255 N 0.32 0.95 -0.61 -1.67 0.00 -1.99 -2.69 119.26 113.57 3kyl h ALA 255 Ca -0.06 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3kyl h ALA 255 Cb 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3kyl h ALA 255 CO 0.02 0.62 0.20 1.88 0.00 0.00 0.00 179.25 181.97 3kyl h TYR 256 N 0.75 0.98 0.00 0.00 -1.99 -1.87 -3.01 116.97 111.82 3kyl h TYR 256 Ca 0.13 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kyl h TYR 256 Cb 0.60 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 39.05 3kyl h TYR 256 CO 0.03 0.80 0.00 0.41 -0.00 0.00 0.00 178.16 179.41 3kyl n GLY 257 N -0.73 -1.55 0.06 3.88 0.00 -1.13 -0.06 105.19 105.66 3kyl n GLY 257 Ca 0.04 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3kyl n GLY 257 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kyl n ASN 258 N -1.90 0.73 -4.72 1.61 5.03 -1.03 -3.27 115.26 111.71 3kyl n ASN 258 Ca 0.06 -0.53 -0.42 0.00 0.87 0.00 0.00 54.58 54.56 3kyl n ASN 258 Cb 0.36 0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 39.46 3kyl n ASN 258 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kyl s VAL 259 N -2.89 3.04 -0.41 2.41 1.01 -1.21 -4.99 120.40 117.36 3kyl s VAL 259 Ca 0.13 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 3kyl s VAL 259 Cb 0.18 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 33.08 3kyl s VAL 259 CO 0.69 0.08 0.73 -0.54 0.00 0.00 0.00 175.10 176.06 3kyl s LYS 260 N 0.74 3.51 0.21 2.72 3.01 -1.26 -4.15 119.74 124.52 3kyl s LYS 260 Ca 0.64 -0.03 -0.10 0.00 -1.01 0.00 0.00 55.97 55.48 3kyl s LYS 260 Cb -0.39 -3.89 0.27 0.00 -1.01 0.00 0.00 37.83 32.81 3kyl s LYS 260 CO 0.33 -0.97 1.75 0.82 0.51 0.00 0.00 175.35 177.78 3kyl h ILE 261 N 5.86 0.78 -0.65 2.17 5.03 -1.93 -1.08 117.51 127.68 3kyl h ILE 261 Ca -0.25 -0.14 0.13 0.00 -0.12 0.00 0.00 64.86 64.47 3kyl h ILE 261 Cb 1.09 0.33 -0.12 0.00 -3.03 0.00 0.00 36.82 35.09 3kyl h ILE 261 CO 0.92 0.08 -0.22 -0.65 -0.68 0.00 0.00 178.15 177.60 3kyl h PRO 262 N 0.41 -0.05 -0.64 2.37 0.11 -2.00 0.31 132.00 132.52 3kyl h PRO 262 Ca 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 3kyl h PRO 262 Cb 0.37 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 3kyl h PRO 262 CO -0.30 -0.03 0.34 0.28 -0.21 0.00 0.00 178.00 178.08 3kyl h VAL 263 N -0.05 1.21 -0.64 3.15 2.07 -1.67 -2.66 116.25 117.67 3kyl h VAL 263 Ca 0.30 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3kyl h VAL 263 Cb 0.51 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3kyl h VAL 263 CO -0.69 0.23 0.23 0.25 0.02 0.00 0.00 177.57 177.61 3kyl h LEU 264 N 0.87 0.90 -0.56 2.57 5.85 -0.11 -2.61 115.31 122.22 3kyl h LEU 264 Ca 0.22 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3kyl h LEU 264 Cb 0.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3kyl h LEU 264 CO -0.03 0.85 0.35 0.00 -0.34 0.00 0.00 178.44 179.26 3kyl h LYS 266 N 0.71 0.71 0.03 0.00 1.57 -1.30 0.66 116.57 118.96 3kyl h LYS 266 Ca 0.22 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kyl h LYS 266 Cb -0.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3kyl h LYS 266 CO -0.07 0.47 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.19 3kyl h LEU 267 N 0.73 -0.04 -1.29 2.94 3.38 -1.00 -1.44 115.31 118.60 3kyl h LEU 267 Ca 0.27 -0.67 0.15 0.00 0.09 0.00 0.00 57.88 57.72 3kyl h LEU 267 Cb 0.16 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3kyl h LEU 267 CO -0.08 0.69 0.57 0.40 0.09 0.00 0.00 178.44 180.12 3kyl h ILE 268 N -0.81 0.82 -0.00 1.22 2.04 -1.06 -0.48 117.51 119.24 3kyl h ILE 268 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3kyl h ILE 268 Cb 0.70 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3kyl h ILE 268 CO 0.01 0.12 -0.05 1.67 0.00 0.00 0.00 178.15 179.90 3kyl n GLN 269 N -4.56 0.33 0.03 2.37 -0.06 0.22 -3.58 117.38 112.12 3kyl n GLN 269 Ca 0.17 -0.04 0.11 0.00 -2.00 0.00 0.00 57.00 55.25 3kyl n GLN 269 Cb 0.48 -1.50 0.09 0.00 -4.06 0.00 0.00 30.24 25.26 3kyl n GLN 269 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3kyl n SER 270 N -1.30 0.63 -4.73 1.69 2.88 -0.20 -4.94 113.62 107.65 3kyl n SER 270 Ca 0.12 -0.21 -0.41 0.00 -1.33 0.00 0.00 58.87 57.04 3kyl n SER 270 Cb 0.28 0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 64.27 3kyl n SER 270 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3kyl s ILE 271 N -3.13 3.94 0.50 2.46 1.01 -1.19 -5.01 121.20 119.77 3kyl s ILE 271 Ca 0.06 1.59 -0.22 0.00 0.00 0.00 0.00 60.65 62.08 3kyl s ILE 271 Cb 0.15 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 3kyl s ILE 271 CO 0.77 0.23 1.04 -2.65 0.00 0.00 0.00 174.94 174.32 3kyl n PRO 272 N 2.81 1.26 0.25 2.79 -0.02 -1.26 -4.80 135.00 136.02 3kyl n PRO 272 Ca 0.04 0.46 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3kyl n PRO 272 Cb 0.46 -2.16 0.54 0.00 -0.02 0.00 0.00 33.50 32.32 3kyl n PRO 272 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3kyl h THR 273 N 1.18 0.00 0.00 3.45 1.35 -1.96 -1.77 112.91 115.16 3kyl h THR 273 Ca -0.47 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 64.73 3kyl h THR 273 Cb 1.34 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 3kyl h THR 273 CO 0.55 0.00 -0.21 1.12 -0.25 0.00 0.00 175.52 176.73 3kyl h HIS 274 N 0.00 0.00 0.02 4.73 2.07 -2.00 -2.84 115.15 117.14 3kyl h HIS 274 Ca 0.00 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.19 3kyl h HIS 274 Cb 0.63 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.56 3kyl h HIS 274 CO 0.00 0.21 -1.96 1.28 -3.07 0.00 0.00 177.93 174.39 3kyl n LEU 275 N -3.34 1.03 -3.15 6.12 4.77 -0.95 -4.91 117.00 116.57 3kyl n LEU 275 Ca 0.00 0.25 0.04 0.00 -0.03 0.00 0.00 56.01 56.28 3kyl n LEU 275 Cb 0.44 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3kyl n LEU 275 CO 0.33 0.51 0.18 -0.22 -1.33 0.00 0.00 177.39 176.86 3kyl s LEU 276 N -6.10 -1.35 0.59 2.23 2.96 -0.71 -4.89 118.68 111.41 3kyl s LEU 276 Ca -0.10 0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 54.53 3kyl s LEU 276 Cb 0.07 2.13 -0.04 0.00 0.50 0.00 0.00 46.19 48.85 3kyl s LEU 276 CO 0.81 -0.25 0.99 1.51 -1.32 0.00 0.00 176.35 178.08 3kyl s ASP 277 N 2.86 6.27 0.26 3.68 1.47 -1.08 -3.89 116.67 126.25 3kyl s ASP 277 Ca 0.20 1.36 -0.02 0.00 1.18 0.00 0.00 52.55 55.27 3kyl s ASP 277 Cb -0.15 -2.44 0.56 0.00 -0.34 0.00 0.00 42.92 40.55 3kyl s ASP 277 CO -0.21 -0.80 1.69 0.28 0.68 0.00 0.00 175.17 176.82 3kyl h SER 278 N -0.11 0.13 -0.84 2.11 0.02 -1.95 -1.54 113.55 111.36 3kyl h SER 278 Ca -0.45 0.15 0.10 0.00 -0.84 0.00 0.00 61.79 60.75 3kyl h SER 278 Cb 1.19 0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.83 3kyl h SER 278 CO 0.62 -0.02 0.49 -0.08 -1.14 0.00 0.00 176.83 176.70 3kyl h GLU 279 N 0.33 0.80 -0.02 3.45 4.57 -1.99 0.68 114.58 122.39 3kyl h GLU 279 Ca 0.47 -0.05 -0.25 0.00 -1.18 0.00 0.00 59.36 58.35 3kyl h GLU 279 Cb 0.83 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 3kyl h GLU 279 CO -0.52 0.53 -0.99 0.87 -1.18 0.00 0.00 179.01 177.72 3kyl h LYS 280 N 0.82 0.63 0.20 1.92 1.57 -1.70 -2.94 116.57 117.08 3kyl h LYS 280 Ca 0.41 -0.66 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3kyl h LYS 280 Cb 0.37 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3kyl h LYS 280 CO -0.25 1.26 -0.10 0.87 -0.57 0.00 0.00 179.45 180.66 3kyl h LYS 281 N 0.36 -0.26 -0.98 3.15 1.57 -0.37 -0.60 116.57 119.44 3kyl h LYS 281 Ca -0.11 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.81 3kyl h LYS 281 Cb 1.63 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.92 3kyl h LYS 281 CO 0.19 -0.14 0.62 -0.91 -0.57 0.00 0.00 179.45 178.64 3kyl h ASN 282 N -0.31 0.89 -0.20 0.86 -0.26 0.21 -1.26 115.58 115.50 3kyl h ASN 282 Ca -0.03 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 3kyl h ASN 282 Cb 0.24 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 3kyl h ASN 282 CO 0.05 0.48 -0.04 0.15 -1.06 0.00 0.00 177.43 177.01 3kyl h PHE 283 N 0.96 0.43 -0.71 1.19 3.57 -1.29 -2.93 116.94 118.16 3kyl h PHE 283 Ca 0.48 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 3kyl h PHE 283 Cb 0.49 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3kyl h PHE 283 CO -0.00 0.63 0.31 0.82 -2.23 0.00 0.00 178.31 177.84 3kyl h ILE 284 N 0.11 1.23 0.32 1.41 2.04 -0.69 -1.50 117.51 120.44 3kyl h ILE 284 Ca 0.05 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3kyl h ILE 284 Cb 0.48 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3kyl h ILE 284 CO 0.02 0.29 -0.22 0.58 0.00 0.00 0.00 178.15 178.81 3kyl h VAL 285 N 1.01 0.53 -0.00 1.67 2.07 -1.17 -0.91 116.25 119.45 3kyl h VAL 285 Ca 0.24 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.60 3kyl h VAL 285 Cb 0.14 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3kyl h VAL 285 CO -0.03 0.00 -0.74 -2.24 0.02 0.00 0.00 177.57 174.58 3kyl h ASP 286 N -0.54 0.02 0.22 0.57 3.04 -1.48 -2.12 116.42 116.13 3kyl h ASP 286 Ca -0.03 -0.02 -0.05 0.00 -3.24 0.00 0.00 57.03 53.70 3kyl h ASP 286 Cb 0.46 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.74 3kyl h ASP 286 CO 0.01 0.76 -0.22 -0.74 -2.04 0.00 0.00 179.24 177.01 3kyl h HIS 287 N 0.01 0.00 0.00 4.15 2.76 -1.16 0.23 115.15 121.14 3kyl h HIS 287 Ca -0.01 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 3kyl h HIS 287 Cb 1.31 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.27 3kyl h HIS 287 CO 0.00 0.22 -0.52 0.82 -1.30 0.00 0.00 177.93 177.15 3kyl h ILE 288 N 0.00 0.39 0.00 6.26 1.08 -0.86 -3.34 117.51 121.04 3kyl h ILE 288 Ca -0.00 -1.59 -0.14 0.00 -0.39 0.00 0.00 64.86 62.74 3kyl h ILE 288 Cb 0.38 2.09 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 3kyl h ILE 288 CO 0.03 0.22 -1.45 -1.20 -0.69 0.00 0.00 178.15 175.06 3kyl n SER 289 N -3.06 0.74 -2.93 1.72 7.64 -0.68 -4.53 113.62 112.51 3kyl n SER 289 Ca 0.01 0.32 -0.28 0.00 1.01 0.00 0.00 58.87 59.93 3kyl n SER 289 Cb 0.65 0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 64.22 3kyl n SER 289 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kyl n ASN 290 N -2.80 4.74 -4.54 6.43 3.02 0.72 -5.02 115.26 117.82 3kyl n ASN 290 Ca -0.09 -3.69 -0.42 0.00 -0.03 0.00 0.00 54.58 50.35 3kyl n ASN 290 Cb 0.79 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 3kyl n ASN 290 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kyl s GLN 291 N -3.55 3.24 -0.13 3.52 -0.21 -1.26 -4.91 119.66 116.37 3kyl s GLN 291 Ca 0.48 -0.25 -0.05 0.00 0.02 0.00 0.00 55.36 55.56 3kyl s GLN 291 Cb 0.29 -4.15 -0.04 0.00 1.00 0.00 0.00 33.01 30.11 3kyl s GLN 291 CO -0.15 -1.97 0.05 -0.06 -2.12 0.00 0.00 175.29 171.04 3kyl s PHE 292 N 5.21 3.28 0.02 0.91 0.08 -1.26 0.09 117.98 126.30 3kyl s PHE 292 Ca 0.34 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.60 3kyl s PHE 292 Cb -0.10 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 3kyl s PHE 292 CO 0.16 0.40 -0.05 0.14 -0.10 0.00 0.00 175.22 175.77 3kyl s VAL 293 N -0.43 0.33 -0.08 -0.44 -7.23 0.19 -0.71 120.40 112.03 3kyl s VAL 293 Ca 0.09 -0.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.46 3kyl s VAL 293 Cb -0.12 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 3kyl s VAL 293 CO 0.02 -0.31 0.02 0.00 -0.31 0.00 0.00 175.10 174.52 3kyl s ALA 294 N -1.07 3.35 0.04 1.32 0.00 -0.77 0.16 121.76 124.78 3kyl s ALA 294 Ca -0.09 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 3kyl s ALA 294 Cb -0.08 -1.51 -0.00 0.00 0.00 0.00 0.00 23.12 21.53 3kyl s ALA 294 CO -0.00 0.60 -0.01 0.34 0.00 0.00 0.00 175.76 176.69 3kyl n PHE 295 N 2.02 0.00 -3.57 0.00 7.35 -1.03 -0.30 117.46 121.95 3kyl n PHE 295 Ca -0.18 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.24 3kyl n PHE 295 Cb 0.54 -0.01 -0.10 0.00 0.35 0.00 0.00 39.48 40.25 3kyl n PHE 295 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3kyl n ARG 296 N -3.00 0.90 0.00 -4.13 1.74 -1.26 -4.85 116.66 106.05 3kyl n ARG 296 Ca -0.00 -3.71 0.00 0.00 -0.77 0.00 0.00 57.85 53.37 3kyl n ARG 296 Cb 0.01 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 3kyl n ARG 296 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kyl n ARG 297 N 2.37 0.00 -4.12 5.56 1.74 -1.26 -4.93 116.66 116.02 3kyl n ARG 297 Ca 0.26 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.99 3kyl n ARG 297 Cb 0.43 -2.20 -0.07 0.00 -1.02 0.00 0.00 32.46 29.60 3kyl n ARG 297 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kyl s LYS 298 N 0.00 3.17 0.04 5.56 -2.85 -1.26 -5.08 119.74 119.32 3kyl s LYS 298 Ca 0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 55.97 54.55 3kyl s LYS 298 Cb 0.00 -2.95 -0.05 0.00 -2.06 0.00 0.00 37.83 32.77 3kyl s LYS 298 CO 0.00 0.71 0.33 0.42 0.10 0.00 0.00 175.35 176.91 3kyl s ILE 299 N -1.04 5.20 0.05 3.79 1.01 -1.26 -2.46 121.20 126.49 3kyl s ILE 299 Ca 0.17 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.16 3kyl s ILE 299 Cb -0.12 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3kyl s ILE 299 CO 0.07 0.33 -0.10 -0.31 0.00 0.00 0.00 174.94 174.93 3kyl s TYR 300 N -1.34 0.85 -0.24 3.97 1.51 0.42 -1.73 117.35 120.79 3kyl s TYR 300 Ca 0.30 -0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 55.79 3kyl s TYR 300 Cb -0.14 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 3kyl s TYR 300 CO 0.17 -0.03 0.20 0.21 -1.11 0.00 0.00 175.55 174.99 3kyl s LYS 301 N -1.51 4.08 -0.16 -0.62 2.20 0.27 0.56 119.74 124.55 3kyl s LYS 301 Ca -0.06 -0.19 -0.19 0.00 -0.36 0.00 0.00 55.97 55.16 3kyl s LYS 301 Cb -0.09 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3kyl s LYS 301 CO 0.01 0.03 0.55 -0.46 -0.36 0.00 0.00 175.35 175.12 3kyl s TRP 302 N 1.13 3.43 -0.01 4.03 -0.11 0.11 -1.33 118.94 126.19 3kyl s TRP 302 Ca 0.09 0.89 0.02 0.00 1.22 0.00 0.00 56.10 58.32 3kyl s TRP 302 Cb -0.14 -2.68 0.03 0.00 -1.50 0.00 0.00 33.47 29.18 3kyl s TRP 302 CO 0.05 -0.02 0.80 0.27 -4.62 0.00 0.00 176.95 173.42 3kyl n ASN 303 N 4.44 0.60 -4.38 5.86 6.94 -0.89 -4.27 115.26 123.56 3kyl n ASN 303 Ca -0.04 -1.68 -0.45 0.00 -0.02 0.00 0.00 54.58 52.39 3kyl n ASN 303 Cb 0.51 -0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 37.79 3kyl n ASN 303 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3kyl s HIS 304 N -0.49 3.18 0.00 -2.53 2.46 -1.23 -4.97 115.29 111.72 3kyl s HIS 304 Ca 0.03 -1.26 0.00 0.00 0.47 0.00 0.00 55.06 54.30 3kyl s HIS 304 Cb 0.03 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 3kyl s HIS 304 CO 0.00 -1.26 0.00 0.41 -2.47 0.00 0.00 174.74 171.42 3kyl n GLY 305 N 5.05 1.30 3.84 1.59 0.00 -1.20 -4.52 105.19 111.25 3kyl n GLY 305 Ca 0.01 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3kyl n GLY 305 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kyl s LEU 306 N 0.00 4.47 0.02 0.99 1.43 0.91 -4.91 118.68 121.59 3kyl s LEU 306 Ca 0.00 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 53.77 3kyl s LEU 306 Cb 0.00 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 3kyl s LEU 306 CO 0.00 0.31 1.32 -0.76 0.23 0.00 0.00 176.35 177.45 3kyl s LEU 307 N -1.13 4.33 0.00 1.79 1.43 -1.26 -4.16 118.68 119.68 3kyl s LEU 307 Ca 0.25 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 55.10 3kyl s LEU 307 Cb -0.17 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3kyl s LEU 307 CO 0.14 -0.63 1.32 -1.58 0.23 0.00 0.00 176.35 175.83 3kyl s GLN 308 N 1.90 4.32 0.00 1.70 0.74 -1.26 -3.34 119.66 123.72 3kyl s GLN 308 Ca 0.61 1.87 0.00 0.00 0.05 0.00 0.00 55.36 57.90 3kyl s GLN 308 Cb -0.30 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.29 3kyl s GLN 308 CO 0.27 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 3kyl n GLY 309 N 3.51 2.36 3.76 2.59 0.00 -1.26 -1.06 105.19 115.09 3kyl n GLY 309 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3kyl n GLY 309 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kyl s ASP 310 N -1.76 6.90 0.45 1.61 2.15 -1.21 -4.76 116.67 120.05 3kyl s ASP 310 Ca 0.00 2.53 0.20 0.00 0.43 0.00 0.00 52.55 55.71 3kyl s ASP 310 Cb 0.00 -2.63 1.17 0.00 -0.30 0.00 0.00 42.92 41.16 3kyl s ASP 310 CO 0.00 -0.46 1.91 -0.65 -0.17 0.00 0.00 175.17 175.80 3kyl h PRO 311 N 4.04 0.29 0.00 4.34 0.11 -1.98 -3.01 132.00 135.78 3kyl h PRO 311 Ca -0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3kyl h PRO 311 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kyl h PRO 311 CO 0.69 0.19 -1.07 -0.07 -0.21 0.00 0.00 178.00 177.53 3kyl h LEU 312 N 0.29 0.00 -0.67 2.35 4.07 -1.92 -3.39 115.31 116.04 3kyl h LEU 312 Ca 0.38 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.45 3kyl h LEU 312 Cb 1.07 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.73 3kyl h LEU 312 CO -0.10 0.28 0.26 0.28 -1.08 0.00 0.00 178.44 178.08 3kyl h SER 313 N 0.00 0.27 -0.31 -0.43 0.02 -1.82 -2.34 113.55 108.94 3kyl h SER 313 Ca -0.07 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 3kyl h SER 313 Cb 1.27 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.79 3kyl h SER 313 CO 0.02 0.14 -0.27 1.23 -1.14 0.00 0.00 176.83 176.81 3kyl h GLY 314 N 0.44 -0.18 2.00 -3.77 0.00 -1.77 0.32 103.07 100.11 3kyl h GLY 314 Ca 0.35 0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.89 3kyl h GLY 314 CO -0.34 -0.21 -0.59 0.00 0.00 0.00 0.00 176.54 175.41 3kyl h LEU 316 N 0.00 0.17 -0.91 0.00 3.38 -0.93 -0.22 115.31 116.80 3kyl h LEU 316 Ca -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3kyl h LEU 316 Cb 1.22 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 3kyl h LEU 316 CO 0.08 1.16 0.23 0.00 0.09 0.00 0.00 178.44 180.00 3kyl h GLU 318 N 0.99 0.16 -0.06 0.00 4.57 -1.28 0.11 114.58 119.07 3kyl h GLU 318 Ca 0.22 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3kyl h GLU 318 Cb 0.26 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3kyl h GLU 318 CO -0.01 0.51 -0.01 1.25 -1.18 0.00 0.00 179.01 179.57 3kyl h LEU 319 N 0.14 0.11 -0.47 1.64 6.46 -0.82 -2.63 115.31 119.73 3kyl h LEU 319 Ca 0.02 -0.35 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3kyl h LEU 319 Cb 0.71 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 3kyl h LEU 319 CO 0.05 0.44 0.28 0.22 -0.62 0.00 0.00 178.44 178.80 3kyl h TYR 320 N -0.22 0.63 -0.57 1.25 3.20 -1.20 -2.95 116.97 117.11 3kyl h TYR 320 Ca 0.01 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3kyl h TYR 320 Cb 0.39 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3kyl h TYR 320 CO 0.05 0.45 0.35 0.52 -1.64 0.00 0.00 178.16 177.88 3kyl h MET 321 N 0.62 0.67 0.00 1.82 2.86 -0.78 -1.90 114.93 118.22 3kyl h MET 321 Ca 0.17 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 3kyl h MET 321 Cb 0.01 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3kyl h MET 321 CO -0.03 0.44 -0.27 0.00 1.06 0.00 0.00 176.91 178.11 3kyl h ALA 322 N 1.24 1.30 -0.24 6.32 0.00 -1.41 -2.04 119.26 124.43 3kyl h ALA 322 Ca 0.23 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3kyl h ALA 322 Cb 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kyl h ALA 322 CO -0.09 0.34 -0.38 0.35 0.00 0.00 0.00 179.25 179.46 3kyl h PHE 323 N 0.00 0.85 -0.05 0.00 3.57 -1.21 -2.46 116.94 117.63 3kyl h PHE 323 Ca -0.00 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.22 3kyl h PHE 323 Cb 0.57 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3kyl h PHE 323 CO 0.00 1.06 0.04 0.52 -2.23 0.00 0.00 178.31 177.70 3kyl h MET 324 N 0.40 0.00 -0.12 1.11 2.86 -0.85 -2.03 114.93 116.29 3kyl h MET 324 Ca 0.02 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3kyl h MET 324 Cb 0.98 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 3kyl h MET 324 CO 0.09 0.00 -0.21 -0.44 1.06 0.00 0.00 176.91 177.41 3kyl h ASP 325 N 0.00 0.40 -0.73 1.22 5.19 -1.15 -1.86 116.42 119.49 3kyl h ASP 325 Ca 0.03 -0.54 -0.05 0.00 -0.62 0.00 0.00 57.03 55.85 3kyl h ASP 325 Cb 0.11 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3kyl h ASP 325 CO -0.00 0.86 0.27 -0.09 -3.12 0.00 0.00 179.24 177.16 3kyl h ARG 326 N -0.05 1.12 0.01 3.56 2.43 -1.09 -0.08 114.38 120.27 3kyl h ARG 326 Ca 0.01 -0.21 -0.18 0.00 -0.81 0.00 0.00 59.98 58.79 3kyl h ARG 326 Cb 0.79 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3kyl h ARG 326 CO 0.05 0.92 -0.70 1.25 -1.51 0.00 0.00 179.97 179.98 3kyl h LEU 327 N 1.08 0.60 0.00 3.80 5.85 -1.41 -3.36 115.31 121.88 3kyl h LEU 327 Ca 0.24 -0.77 -0.11 0.00 0.84 0.00 0.00 57.88 58.08 3kyl h LEU 327 Cb 0.25 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3kyl h LEU 327 CO -0.02 1.29 -1.65 -1.22 -0.34 0.00 0.00 178.44 176.51 3kyl n TYR 328 N -4.14 0.00 -1.37 1.25 4.02 -0.70 -4.68 117.16 111.53 3kyl n TYR 328 Ca -0.11 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.83 3kyl n TYR 328 Cb 0.72 -0.42 0.19 0.00 -0.02 0.00 0.00 39.34 39.82 3kyl n TYR 328 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3kyl n PHE 329 N -2.19 0.32 1.36 -0.72 3.01 -0.06 -4.68 117.46 114.50 3kyl n PHE 329 Ca -0.11 -1.33 0.13 0.00 1.01 0.00 0.00 57.45 57.16 3kyl n PHE 329 Cb 0.61 -0.28 0.43 0.00 -0.01 0.00 0.00 39.48 40.23 3kyl n PHE 329 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3kyl n SER 330 N -1.15 1.83 -0.30 4.37 3.41 -1.12 -3.99 113.62 116.67 3kyl n SER 330 Ca 0.21 -1.62 0.06 0.00 -0.26 0.00 0.00 58.87 57.27 3kyl n SER 330 Cb 0.77 -0.02 0.13 0.00 -0.26 0.00 0.00 64.21 64.83 3kyl n SER 330 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kyl n ASN 331 N 0.43 2.64 -4.75 4.04 3.02 -1.26 -5.05 115.26 114.32 3kyl n ASN 331 Ca 0.18 -2.60 -0.34 0.00 -0.03 0.00 0.00 54.58 51.78 3kyl n ASN 331 Cb 0.40 -0.30 0.05 0.00 -0.61 0.00 0.00 39.78 39.32 3kyl n ASN 331 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kyl s LEU 332 N -2.05 3.47 0.09 3.41 1.43 -1.26 -4.90 118.68 118.86 3kyl s LEU 332 Ca 0.24 2.21 -0.34 0.00 -1.03 0.00 0.00 54.13 55.21 3kyl s LEU 332 Cb 0.19 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.70 3kyl s LEU 332 CO 0.05 -1.76 1.67 -0.67 0.23 0.00 0.00 176.35 175.86 3kyl n ASP 333 N -2.20 3.19 0.00 2.29 4.64 -1.26 -4.85 116.55 118.36 3kyl n ASP 333 Ca 0.12 1.05 0.12 0.00 -1.38 0.00 0.00 54.79 54.71 3kyl n ASP 333 Cb 0.51 -1.41 0.64 0.00 -1.04 0.00 0.00 41.12 39.82 3kyl n ASP 333 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3kyl n LYS 334 N 4.38 0.39 -0.04 -0.67 5.02 -1.26 -1.81 118.16 124.15 3kyl n LYS 334 Ca 0.19 0.05 0.10 0.00 -2.02 0.00 0.00 58.31 56.62 3kyl n LYS 334 Cb 0.29 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.91 3kyl n LYS 334 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kyl n ASP 335 N -1.27 2.83 -4.83 4.39 10.43 -1.26 -5.00 116.55 121.85 3kyl n ASP 335 Ca 0.12 -1.87 -0.24 0.00 2.57 0.00 0.00 54.79 55.37 3kyl n ASP 335 Cb 0.19 -0.06 0.08 0.00 1.84 0.00 0.00 41.12 43.17 3kyl n ASP 335 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kyl s ALA 336 N -1.60 3.39 -0.22 2.24 0.00 -0.75 -4.96 121.76 119.87 3kyl s ALA 336 Ca 0.26 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 3kyl s ALA 336 Cb 0.18 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3kyl s ALA 336 CO 0.26 -1.28 0.07 0.12 0.00 0.00 0.00 175.76 174.93 3kyl s PHE 337 N -3.15 3.15 -0.04 0.00 5.36 -0.05 -5.00 117.98 118.25 3kyl s PHE 337 Ca 0.62 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.42 3kyl s PHE 337 Cb -0.09 -2.16 0.02 0.00 -0.34 0.00 0.00 43.02 40.45 3kyl s PHE 337 CO 0.44 -0.12 -0.04 0.42 -1.46 0.00 0.00 175.22 174.45 3kyl s ILE 338 N 1.05 0.53 -0.09 3.12 1.09 -1.26 -1.20 121.20 124.43 3kyl s ILE 338 Ca 0.04 -0.12 -0.17 0.00 -1.10 0.00 0.00 60.65 59.30 3kyl s ILE 338 Cb -0.14 -0.56 0.04 0.00 -1.06 0.00 0.00 42.46 40.74 3kyl s ILE 338 CO 0.03 0.22 0.42 -2.28 -0.10 0.00 0.00 174.94 173.23 3kyl s HIS 339 N 0.89 -0.39 -0.06 3.97 2.46 -0.87 -4.94 115.29 116.35 3kyl s HIS 339 Ca -0.12 0.83 -0.05 0.00 0.47 0.00 0.00 55.06 56.20 3kyl s HIS 339 Cb -0.14 0.17 0.02 0.00 -0.13 0.00 0.00 32.58 32.49 3kyl s HIS 339 CO 0.00 -0.34 0.15 -0.98 -2.47 0.00 0.00 174.74 171.10 3kyl s ARG 340 N -0.53 0.16 0.00 2.88 1.70 -1.26 -0.44 118.95 121.46 3kyl s ARG 340 Ca -0.06 0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 3kyl s ARG 340 Cb -0.03 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 3kyl s ARG 340 CO 0.03 -0.03 0.00 0.25 -1.08 0.00 0.00 175.30 174.47 3kyl n THR 341 N 3.11 0.00 0.00 4.99 -2.24 -0.59 -4.98 114.28 114.57 3kyl n THR 341 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3kyl n THR 341 Cb 0.58 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3kyl n THR 341 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kyl n VAL 342 N 0.00 0.00 -1.48 2.28 0.31 -1.26 -4.87 118.33 113.31 3kyl n VAL 342 Ca 0.00 0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 3kyl n VAL 342 Cb 0.00 -0.83 0.15 0.00 -0.91 0.00 0.00 33.84 32.25 3kyl n VAL 342 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3kyl n ASP 343 N -1.54 3.82 -3.85 4.52 3.85 -1.26 -4.91 116.55 117.18 3kyl n ASP 343 Ca 0.00 -3.76 -0.27 0.00 -0.71 0.00 0.00 54.79 50.05 3kyl n ASP 343 Cb 0.00 -0.69 -0.17 0.00 -1.35 0.00 0.00 41.12 38.91 3kyl n ASP 343 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 3kyl s ASP 344 N -2.34 2.60 0.03 -1.12 1.01 -1.26 -1.34 116.67 114.25 3kyl s ASP 344 Ca 0.51 -0.57 -0.05 0.00 0.71 0.00 0.00 52.55 53.15 3kyl s ASP 344 Cb 0.44 -0.79 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 3kyl s ASP 344 CO 0.02 -0.20 0.27 -0.31 0.21 0.00 0.00 175.17 175.17 3kyl s TYR 345 N 1.72 3.56 -0.24 4.23 1.51 -1.03 -1.55 117.35 125.55 3kyl s TYR 345 Ca 0.01 0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 56.57 3kyl s TYR 345 Cb -0.15 -1.96 0.08 0.00 -0.11 0.00 0.00 41.96 39.82 3kyl s TYR 345 CO -0.07 0.59 0.09 0.12 -1.11 0.00 0.00 175.55 175.17 3kyl s PHE 346 N -1.37 0.60 -0.09 2.71 5.36 0.42 -2.22 117.98 123.39 3kyl s PHE 346 Ca 0.30 -0.81 0.03 0.00 -0.96 0.00 0.00 56.93 55.49 3kyl s PHE 346 Cb -0.13 -0.97 -0.02 0.00 -0.34 0.00 0.00 43.02 41.57 3kyl s PHE 346 CO 0.19 -0.69 -0.17 0.12 -1.46 0.00 0.00 175.22 173.20 3kyl s PHE 347 N 2.00 2.68 -0.01 10.12 5.36 -0.51 -2.04 117.98 135.58 3kyl s PHE 347 Ca 0.05 -0.55 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 3kyl s PHE 347 Cb -0.16 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 3kyl s PHE 347 CO -0.21 -0.11 -0.03 0.00 -1.46 0.00 0.00 175.22 173.40 3kyl s SER 349 N 0.27 -0.18 0.32 0.00 0.15 0.11 -0.88 113.70 113.49 3kyl s SER 349 Ca -0.03 0.11 0.25 0.00 0.70 0.00 0.00 55.95 56.99 3kyl s SER 349 Cb -0.06 0.34 1.10 0.00 -1.71 0.00 0.00 66.02 65.69 3kyl s SER 349 CO -0.00 -0.40 1.76 1.55 1.20 0.00 0.00 173.24 177.35 3kyl h PRO 350 N 4.14 0.00 -4.36 5.44 0.13 -1.82 0.14 132.00 135.67 3kyl h PRO 350 Ca -0.29 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.10 3kyl h PRO 350 Cb 1.18 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 3kyl h PRO 350 CO 0.39 0.00 -0.37 -1.01 -0.23 0.00 0.00 178.00 176.78 3kyl s HIS 351 N -3.42 3.27 0.54 1.56 3.76 -1.26 -4.72 115.29 115.02 3kyl s HIS 351 Ca 0.03 -1.06 0.26 0.00 -0.15 0.00 0.00 55.06 54.14 3kyl s HIS 351 Cb 0.09 -3.07 1.43 0.00 1.11 0.00 0.00 32.58 32.14 3kyl s HIS 351 CO 0.40 -0.80 1.98 -1.35 -0.85 0.00 0.00 174.74 174.12 3kyl h PRO 352 N 8.65 0.00 0.00 8.40 0.11 -1.95 -0.33 132.00 146.88 3kyl h PRO 352 Ca -0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 3kyl h PRO 352 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3kyl h PRO 352 CO 0.84 0.00 -0.54 1.12 -0.21 0.00 0.00 178.00 179.21 3kyl h HIS 353 N 0.00 0.00 -0.15 0.65 2.07 -1.97 -1.98 115.15 113.77 3kyl h HIS 353 Ca 0.25 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.57 3kyl h HIS 353 Cb 1.06 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.05 3kyl h HIS 353 CO 0.00 0.54 -0.69 0.87 -3.07 0.00 0.00 177.93 175.58 3kyl h LYS 354 N 0.00 0.73 0.02 5.12 1.57 -1.47 -2.00 116.57 120.54 3kyl h LYS 354 Ca -0.01 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3kyl h LYS 354 Cb 1.09 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3kyl h LYS 354 CO 0.07 1.20 -0.01 0.28 -0.57 0.00 0.00 179.45 180.42 3kyl h VAL 355 N 0.44 1.06 -0.77 0.50 2.07 -1.53 -2.44 116.25 115.58 3kyl h VAL 355 Ca -0.04 -0.22 0.16 0.00 0.82 0.00 0.00 66.70 67.42 3kyl h VAL 355 Cb 1.32 1.20 -0.10 0.00 -1.52 0.00 0.00 31.29 32.19 3kyl h VAL 355 CO 0.14 0.06 0.29 0.22 0.02 0.00 0.00 177.57 178.30 3kyl h TYR 356 N -0.11 0.49 -0.51 1.57 3.20 -1.31 -1.29 116.97 119.01 3kyl h TYR 356 Ca -0.00 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 3kyl h TYR 356 Cb 0.11 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3kyl h TYR 356 CO -0.05 0.02 -0.10 -0.44 -1.64 0.00 0.00 178.16 175.96 3kyl h ASP 357 N 0.41 0.94 -0.94 -2.11 3.32 -1.26 -2.93 116.42 113.86 3kyl h ASP 357 Ca 0.43 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3kyl h ASP 357 Cb 0.70 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 3kyl h ASP 357 CO -0.44 1.05 0.61 0.15 -1.72 0.00 0.00 179.24 178.90 3kyl h PHE 358 N 0.84 1.15 -0.61 4.55 3.57 -0.75 0.22 116.94 125.90 3kyl h PHE 358 Ca 0.14 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3kyl h PHE 358 Cb 0.64 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3kyl h PHE 358 CO 0.04 0.66 0.37 1.49 -2.23 0.00 0.00 178.31 178.64 3kyl h GLU 359 N 1.18 0.71 -0.48 1.11 4.81 -1.26 0.43 114.58 121.10 3kyl h GLU 359 Ca 0.37 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.44 3kyl h GLU 359 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3kyl h GLU 359 CO -0.12 0.47 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.38 3kyl h LEU 360 N 0.73 0.96 -0.05 1.64 3.38 -1.09 0.35 115.31 121.23 3kyl h LEU 360 Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kyl h LEU 360 Cb 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kyl h LEU 360 CO -0.11 1.11 0.00 0.25 0.09 0.00 0.00 178.44 179.79 3kyl h LEU 361 N 0.83 0.08 -0.89 1.67 5.85 -0.19 -2.55 115.31 120.10 3kyl h LEU 361 Ca 0.12 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3kyl h LEU 361 Cb 0.73 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3kyl h LEU 361 CO 0.06 0.36 0.54 0.40 -0.34 0.00 0.00 178.44 179.46 3kyl h ILE 362 N -0.20 1.24 0.00 4.05 1.08 -0.10 -2.57 117.51 121.01 3kyl h ILE 362 Ca 0.01 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3kyl h ILE 362 Cb 0.32 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 3kyl h ILE 362 CO 0.00 0.25 0.00 0.11 -0.69 0.00 0.00 178.15 177.82 3kyl h LYS 363 N 1.22 0.00 0.17 2.37 1.57 -0.89 -2.22 116.57 118.79 3kyl h LYS 363 Ca 0.32 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.78 3kyl h LYS 363 Cb -0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kyl h LYS 363 CO -0.06 0.00 -1.57 0.78 -0.57 0.00 0.00 179.45 178.03 3kyl h GLY 364 N 2.31 0.41 0.35 3.86 0.00 -1.09 -3.40 103.07 105.50 3kyl h GLY 364 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.28 3kyl h GLY 364 CO 0.00 0.91 -0.02 -2.08 0.00 0.00 0.00 176.54 175.35 3kyl h VAL 365 N -0.05 1.31 -1.90 4.60 2.07 -1.31 -3.46 116.25 117.50 3kyl h VAL 365 Ca -0.31 -1.40 -0.56 0.00 0.82 0.00 0.00 66.70 65.25 3kyl h VAL 365 Cb 1.97 2.20 -0.09 0.00 -1.52 0.00 0.00 31.29 33.86 3kyl h VAL 365 CO 0.15 0.34 -0.56 -0.31 0.02 0.00 0.00 177.57 177.21 3kyl s TYR 366 N -3.54 2.66 -0.97 1.57 2.02 -0.85 -5.06 117.35 113.18 3kyl s TYR 366 Ca -0.16 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 55.99 3kyl s TYR 366 Cb 0.00 -1.58 0.17 0.00 -0.40 0.00 0.00 41.96 40.15 3kyl s TYR 366 CO 0.61 0.39 1.10 -1.14 -1.57 0.00 0.00 175.55 174.94 3kyl s GLN 367 N -3.80 3.73 0.82 -0.62 0.74 -1.26 -4.49 119.66 114.77 3kyl s GLN 367 Ca 0.37 -2.16 -0.11 0.00 0.05 0.00 0.00 55.36 53.50 3kyl s GLN 367 Cb -0.02 -4.81 0.08 0.00 1.10 0.00 0.00 33.01 29.36 3kyl s GLN 367 CO 0.22 -1.63 1.09 0.14 -0.55 0.00 0.00 175.29 174.56 3kyl s VAL 368 N 1.66 3.04 -0.39 1.34 -7.23 -1.26 -1.78 120.40 115.77 3kyl s VAL 368 Ca 0.31 0.34 -0.14 0.00 -1.81 0.00 0.00 61.98 60.68 3kyl s VAL 368 Cb -0.06 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.93 3kyl s VAL 368 CO -0.08 -0.44 0.27 0.21 -0.31 0.00 0.00 175.10 174.75 3kyl s ASN 369 N -3.69 6.00 0.45 4.85 3.84 0.12 -4.64 114.94 121.87 3kyl s ASN 369 Ca 0.61 -0.87 0.25 0.00 0.21 0.00 0.00 52.86 53.07 3kyl s ASN 369 Cb -0.16 -2.12 0.96 0.00 -0.55 0.00 0.00 41.25 39.38 3kyl s ASN 369 CO 0.55 -0.41 1.84 -0.65 -2.79 0.00 0.00 177.10 175.65 3kyl h PRO 370 N 8.56 0.00 -0.11 0.43 0.11 -1.96 -2.74 132.00 136.29 3kyl h PRO 370 Ca -0.27 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 3kyl h PRO 370 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3kyl h PRO 370 CO 0.70 0.20 -0.55 1.15 -0.21 0.00 0.00 178.00 179.29 3kyl h THR 371 N 0.00 1.35 -0.09 -1.15 2.02 -1.98 -3.16 112.91 109.91 3kyl h THR 371 Ca -0.00 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.33 3kyl h THR 371 Cb 0.72 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3kyl h THR 371 CO 0.03 0.56 0.00 0.29 0.37 0.00 0.00 175.52 176.76 3kyl n LYS 372 N -3.92 1.74 -2.30 6.66 5.02 -1.04 -4.87 118.16 119.45 3kyl n LYS 372 Ca -0.02 -1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 54.76 3kyl n LYS 372 Cb 0.59 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 3kyl n LYS 372 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kyl s THR 373 N -1.90 3.94 -0.19 -0.18 2.01 -1.20 -4.53 115.64 113.59 3kyl s THR 373 Ca 0.35 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.63 3kyl s THR 373 Cb 0.20 -3.81 0.04 0.00 0.01 0.00 0.00 72.50 68.93 3kyl s THR 373 CO 0.30 -0.03 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.95 3kyl s ARG 374 N 2.68 2.26 0.03 4.92 1.81 -0.98 -5.01 118.95 124.66 3kyl s ARG 374 Ca 0.61 -0.80 -0.21 0.00 -1.72 0.00 0.00 55.73 53.61 3kyl s ARG 374 Cb -0.28 -2.39 0.05 0.00 -0.45 0.00 0.00 34.95 31.87 3kyl s ARG 374 CO 0.24 -0.36 0.48 -0.08 -0.68 0.00 0.00 175.30 174.90 3kyl s THR 375 N 1.38 0.04 -0.27 0.02 -1.32 -1.26 -1.43 115.64 112.80 3kyl s THR 375 Ca 0.01 -0.31 0.12 0.00 -1.21 0.00 0.00 61.69 60.30 3kyl s THR 375 Cb -0.15 -0.93 0.66 0.00 -1.51 0.00 0.00 72.50 70.57 3kyl s THR 375 CO -0.09 -0.17 1.64 -0.46 -2.21 0.00 0.00 174.62 173.33 3kyl n ASN 376 N 0.60 4.27 -4.72 8.08 6.94 -1.14 -0.50 115.26 128.79 3kyl n ASN 376 Ca -0.19 -3.23 -0.42 0.00 -0.02 0.00 0.00 54.58 50.72 3kyl n ASN 376 Cb 0.59 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 3kyl n ASN 376 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kyl s LEU 377 N -2.98 4.37 0.36 -4.53 1.43 -1.26 -4.87 118.68 111.19 3kyl s LEU 377 Ca 0.50 2.75 0.20 0.00 -1.03 0.00 0.00 54.13 56.54 3kyl s LEU 377 Cb 0.41 -3.60 1.07 0.00 0.03 0.00 0.00 46.19 44.09 3kyl s LEU 377 CO 0.10 -0.89 1.56 -0.65 0.23 0.00 0.00 176.35 176.70 3kyl h PRO 378 N 6.60 0.00 0.00 1.29 0.11 -1.96 -0.81 132.00 137.23 3kyl h PRO 378 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kyl h PRO 378 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kyl h PRO 378 CO 0.92 0.00 0.00 1.15 -0.21 0.00 0.00 178.00 179.86 3kyl h THR 379 N 0.00 0.00 -3.14 -1.15 2.02 -1.99 -3.45 112.91 105.20 3kyl h THR 379 Ca 0.00 -0.70 -0.59 0.00 0.77 0.00 0.00 66.41 65.89 3kyl h THR 379 Cb 0.28 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 3kyl h THR 379 CO 0.00 0.00 -0.21 -1.00 0.37 0.00 0.00 175.52 174.68 3kyl s HIS 380 N -3.36 3.60 0.08 3.16 3.76 -0.31 -5.02 115.29 117.20 3kyl s HIS 380 Ca 0.05 0.86 -0.26 0.00 -0.15 0.00 0.00 55.06 55.57 3kyl s HIS 380 Cb 0.08 -2.21 -0.16 0.00 1.11 0.00 0.00 32.58 31.39 3kyl s HIS 380 CO 0.59 0.52 1.66 0.00 -0.85 0.00 0.00 174.74 176.66 3kyl h ARG 381 N 3.80 -0.22 -3.04 1.40 2.47 -1.88 -3.36 114.38 113.55 3kyl h ARG 381 Ca -0.49 0.02 -0.62 0.00 -1.26 0.00 0.00 59.98 57.62 3kyl h ARG 381 Cb 1.20 0.05 -0.41 0.00 -1.65 0.00 0.00 29.97 29.15 3kyl h ARG 381 CO 0.66 -0.11 -0.62 -1.01 0.56 0.00 0.00 179.97 179.45 3kyl s HIS 382 N -5.98 3.27 0.15 3.04 3.76 -1.26 -5.10 115.29 113.18 3kyl s HIS 382 Ca -0.14 -3.21 -0.30 0.00 -0.15 0.00 0.00 55.06 51.25 3kyl s HIS 382 Cb 0.05 -2.54 -0.07 0.00 1.11 0.00 0.00 32.58 31.13 3kyl s HIS 382 CO 0.65 -0.59 1.17 -2.14 -0.85 0.00 0.00 174.74 172.98 3kyl s PRO 383 N -1.17 4.50 -0.17 8.40 0.02 -1.26 -4.91 135.00 140.41 3kyl s PRO 383 Ca 0.25 1.81 -0.11 0.00 0.02 0.00 0.00 61.00 62.97 3kyl s PRO 383 Cb -0.06 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 3kyl s PRO 383 CO -0.15 -0.09 0.18 -0.65 -0.33 0.00 0.00 177.00 175.96 3kyl s GLN 384 N 0.05 4.08 0.01 5.54 1.11 0.35 -4.87 119.66 125.92 3kyl s GLN 384 Ca 0.53 -0.10 -0.01 0.00 0.01 0.00 0.00 55.36 55.79 3kyl s GLN 384 Cb -0.31 -3.38 -0.27 0.00 -1.01 0.00 0.00 33.01 28.04 3kyl s GLN 384 CO 0.34 0.37 0.86 0.22 0.01 0.00 0.00 175.29 177.09 3kyl h ASP 385 N 6.35 0.33 -3.34 5.90 1.82 -1.95 -3.02 116.42 122.51 3kyl h ASP 385 Ca -0.44 -0.46 -0.65 0.00 -0.39 0.00 0.00 57.03 55.09 3kyl h ASP 385 Cb 1.17 -0.11 -0.25 0.00 0.68 0.00 0.00 39.33 40.83 3kyl h ASP 385 CO 0.73 1.39 -0.73 -1.61 -1.61 0.00 0.00 179.24 177.40 3kyl s GLU 386 N -2.62 3.45 -0.02 0.28 8.01 -1.26 -1.02 118.70 125.52 3kyl s GLU 386 Ca -0.08 -0.62 0.06 0.00 0.01 0.00 0.00 54.97 54.34 3kyl s GLU 386 Cb 0.07 -2.72 -0.01 0.00 -4.31 0.00 0.00 34.13 27.15 3kyl s GLU 386 CO 0.85 0.25 -0.20 0.96 0.01 0.00 0.00 175.26 177.12 3kyl s ILE 387 N 0.29 1.59 0.05 -1.63 -0.00 0.69 -4.94 121.20 117.26 3kyl s ILE 387 Ca -0.07 -0.86 -0.25 0.00 -0.00 0.00 0.00 60.65 59.47 3kyl s ILE 387 Cb -0.15 -1.33 -0.06 0.00 -0.00 0.00 0.00 42.46 40.93 3kyl s ILE 387 CO 0.05 0.45 0.76 -2.16 -0.00 0.00 0.00 174.94 174.04 3kyl s PRO 388 N -0.44 4.49 -0.30 0.37 0.05 -1.26 -1.16 135.00 136.75 3kyl s PRO 388 Ca 0.07 1.06 -0.14 0.00 0.05 0.00 0.00 61.00 62.04 3kyl s PRO 388 Cb -0.08 -3.35 0.14 0.00 0.05 0.00 0.00 34.50 31.26 3kyl s PRO 388 CO -0.01 0.31 0.86 -0.47 0.05 0.00 0.00 177.00 177.75 3kyl s TYR 389 N -0.16 -0.87 -1.21 0.56 6.14 -0.22 -4.98 117.35 116.60 3kyl s TYR 389 Ca 0.38 1.58 -0.04 0.00 0.64 0.00 0.00 57.07 59.63 3kyl s TYR 389 Cb -0.21 0.52 0.00 0.00 0.42 0.00 0.00 41.96 42.70 3kyl s TYR 389 CO 0.23 -0.43 0.52 0.00 0.64 0.00 0.00 175.55 176.51 3kyl n GLY 391 N -1.39 0.47 3.52 0.00 0.00 -1.26 -5.00 105.19 101.53 3kyl n GLY 391 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3kyl n GLY 391 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyl s LYS 392 N -0.58 1.89 -0.35 1.61 -0.14 -0.64 -0.11 119.74 121.41 3kyl s LYS 392 Ca 0.00 -1.21 -0.12 0.00 -1.36 0.00 0.00 55.97 53.29 3kyl s LYS 392 Cb 0.00 -2.13 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 3kyl s LYS 392 CO 0.00 0.47 0.21 0.42 -0.76 0.00 0.00 175.35 175.69 3kyl s ILE 393 N -1.35 4.89 -0.24 2.17 1.01 0.15 -1.06 121.20 126.78 3kyl s ILE 393 Ca 0.21 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 3kyl s ILE 393 Cb -0.10 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3kyl s ILE 393 CO 0.12 -0.08 0.43 -0.36 0.00 0.00 0.00 174.94 175.05 3kyl s PHE 394 N 1.64 3.31 -0.25 3.97 0.08 -0.31 -2.14 117.98 124.28 3kyl s PHE 394 Ca 0.04 0.58 -0.13 0.00 0.12 0.00 0.00 56.93 57.54 3kyl s PHE 394 Cb -0.18 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 3kyl s PHE 394 CO 0.08 -0.16 0.27 1.21 -0.10 0.00 0.00 175.22 176.53 3kyl s ASN 395 N 1.37 6.20 0.26 1.36 3.84 -0.76 -0.22 114.94 126.98 3kyl s ASN 395 Ca 0.19 0.21 0.13 0.00 0.21 0.00 0.00 52.86 53.60 3kyl s ASN 395 Cb -0.15 -2.16 0.20 0.00 -0.55 0.00 0.00 41.25 38.59 3kyl s ASN 395 CO 0.09 -0.06 1.50 -0.07 -2.79 0.00 0.00 177.10 175.78 3kyl h LEU 396 N 8.03 0.00 0.00 3.21 3.38 -1.41 -0.23 115.31 128.29 3kyl h LEU 396 Ca -0.35 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 3kyl h LEU 396 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3kyl h LEU 396 CO 0.64 0.63 -0.43 0.74 0.09 0.00 0.00 178.44 180.11 3kyl h THR 397 N 0.00 1.06 0.00 0.22 2.02 -1.83 -3.34 112.91 111.03 3kyl h THR 397 Ca -0.01 -1.94 -0.02 0.00 0.77 0.00 0.00 66.41 65.21 3kyl h THR 397 Cb 1.31 2.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.86 3kyl h THR 397 CO 0.08 0.36 -0.41 0.71 0.37 0.00 0.00 175.52 176.63 3kyl h THR 398 N -1.00 0.12 0.00 3.16 1.35 -1.94 -3.47 112.91 111.13 3kyl h THR 398 Ca -0.10 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3kyl h THR 398 Cb 0.88 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3kyl h THR 398 CO -0.06 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 175.82 3kyl n ARG 399 N -2.98 -0.45 -2.64 4.72 1.74 -0.10 -5.00 116.66 111.96 3kyl n ARG 399 Ca 0.02 0.11 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 3kyl n ARG 399 Cb 0.57 -3.52 -0.05 0.00 -1.02 0.00 0.00 32.46 28.45 3kyl n ARG 399 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kyl s GLN 400 N -0.57 4.35 -0.11 5.56 -1.52 -1.24 -4.72 119.66 121.41 3kyl s GLN 400 Ca 0.00 1.45 0.02 0.00 -1.95 0.00 0.00 55.36 54.88 3kyl s GLN 400 Cb 0.00 -2.66 0.01 0.00 -0.22 0.00 0.00 33.01 30.14 3kyl s GLN 400 CO 0.00 0.04 -0.17 0.08 -0.25 0.00 0.00 175.29 174.99 3kyl s VAL 401 N -1.63 1.63 0.29 1.09 1.01 -1.26 -1.82 120.40 119.70 3kyl s VAL 401 Ca 0.54 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.90 3kyl s VAL 401 Cb -0.21 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 3kyl s VAL 401 CO 0.27 0.47 -0.15 -0.13 0.00 0.00 0.00 175.10 175.55 3kyl s ARG 402 N 0.88 1.66 0.20 2.72 1.81 -0.91 -4.74 118.95 120.57 3kyl s ARG 402 Ca -0.08 -1.79 -0.30 0.00 -1.72 0.00 0.00 55.73 51.84 3kyl s ARG 402 Cb -0.15 -1.62 -0.08 0.00 -0.45 0.00 0.00 34.95 32.65 3kyl s ARG 402 CO -0.00 0.24 1.07 0.99 -0.68 0.00 0.00 175.30 176.92 3kyl s THR 403 N -2.64 3.84 0.01 0.02 2.01 -1.26 0.33 115.64 117.95 3kyl s THR 403 Ca 0.30 1.67 -0.18 0.00 0.31 0.00 0.00 61.69 63.79 3kyl s THR 403 Cb -0.02 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 3kyl s THR 403 CO 0.14 0.33 0.50 -0.22 -0.69 0.00 0.00 174.62 174.68 3kyl s LEU 404 N -0.70 4.46 -0.19 4.42 2.96 0.84 -4.71 118.68 125.75 3kyl s LEU 404 Ca 0.47 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 55.47 3kyl s LEU 404 Cb -0.29 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.66 3kyl s LEU 404 CO 0.36 0.23 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.13 3kyl s TYR 405 N -0.70 2.76 -1.18 5.38 1.51 -1.26 -4.85 117.35 119.00 3kyl s TYR 405 Ca 0.27 -1.71 -0.19 0.00 -1.01 0.00 0.00 57.07 54.43 3kyl s TYR 405 Cb -0.18 -1.86 0.08 0.00 -0.11 0.00 0.00 41.96 39.90 3kyl s TYR 405 CO 0.16 -0.80 1.56 0.15 -1.11 0.00 0.00 175.55 175.51 3kyl s LYS 406 N 1.29 3.86 -0.37 -0.62 1.02 -1.26 -4.90 119.74 118.76 3kyl s LYS 406 Ca 0.02 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.21 3kyl s LYS 406 Cb -0.14 -5.37 0.12 0.00 -0.52 0.00 0.00 37.83 31.91 3kyl s LYS 406 CO -0.11 -2.14 0.16 -0.51 -0.92 0.00 0.00 175.35 171.84 3kyl s LEU 407 N 3.94 2.61 1.15 3.17 1.43 -1.26 -4.99 118.68 124.73 3kyl s LEU 407 Ca 0.48 -2.14 -0.16 0.00 -1.03 0.00 0.00 54.13 51.28 3kyl s LEU 407 Cb 0.01 -0.99 0.26 0.00 0.03 0.00 0.00 46.19 45.51 3kyl s LEU 407 CO 0.00 -0.34 1.07 -2.84 0.23 0.00 0.00 176.35 174.47 3kyl s PRO 408 N 0.98 -0.82 0.30 1.29 0.02 -1.26 -4.97 135.00 130.53 3kyl s PRO 408 Ca 0.14 0.32 -0.30 0.00 0.02 0.00 0.00 61.00 61.18 3kyl s PRO 408 Cb -0.21 -1.61 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 3kyl s PRO 408 CO -0.12 -3.53 1.50 -2.14 -0.33 0.00 0.00 177.00 172.39 3kyl s PRO 409 N -5.03 4.19 -1.43 5.54 0.02 -1.26 -3.36 135.00 133.67 3kyl s PRO 409 Ca 0.68 2.46 -0.12 0.00 0.02 0.00 0.00 61.00 64.04 3kyl s PRO 409 Cb -0.16 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 31.40 3kyl s PRO 409 CO 0.58 -0.51 0.66 0.09 -0.33 0.00 0.00 177.00 177.50 3kyl n ASN 410 N 1.82 -4.08 -4.68 2.53 3.02 -0.50 -4.93 115.26 108.45 3kyl n ASN 410 Ca 0.06 -0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 3kyl n ASN 410 Cb 0.39 -3.33 -0.04 0.00 -0.61 0.00 0.00 39.78 36.20 3kyl n ASN 410 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kyl s TYR 411 N -3.09 3.46 -0.68 3.10 5.04 -1.21 -4.60 117.35 119.37 3kyl s TYR 411 Ca 0.51 1.34 -0.26 0.00 -2.44 0.00 0.00 57.07 56.23 3kyl s TYR 411 Cb -0.27 -3.04 -0.04 0.00 0.35 0.00 0.00 41.96 38.96 3kyl s TYR 411 CO 0.63 -0.20 1.99 -1.21 -1.34 0.00 0.00 175.55 175.42 3kyl s GLU 412 N 1.98 2.48 0.55 4.97 2.02 -1.26 -1.89 118.70 127.54 3kyl s GLU 412 Ca 0.41 0.46 0.33 0.00 0.02 0.00 0.00 54.97 56.19 3kyl s GLU 412 Cb -0.17 -4.62 1.49 0.00 0.10 0.00 0.00 34.13 30.94 3kyl s GLU 412 CO 0.14 -3.08 1.84 0.97 0.02 0.00 0.00 175.26 175.15 3kyl h ILE 413 N 7.14 0.45 0.00 -1.63 6.09 -1.88 -0.72 117.51 126.96 3kyl h ILE 413 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3kyl h ILE 413 Cb 1.12 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.90 3kyl h ILE 413 CO 1.20 0.00 0.05 -2.11 -3.07 0.00 0.00 178.15 174.22 3kyl n ARG 414 N -4.12 0.02 0.16 2.19 1.85 -1.26 -1.43 116.66 114.07 3kyl n ARG 414 Ca 0.20 0.48 0.13 0.00 -1.00 0.00 0.00 57.85 57.66 3kyl n ARG 414 Cb 1.06 -1.63 0.35 0.00 -1.05 0.00 0.00 32.46 31.18 3kyl n ARG 414 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3kyl h HIS 415 N 0.00 0.00 0.00 2.89 3.86 -1.50 -3.23 115.15 117.17 3kyl h HIS 415 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 3kyl h HIS 415 Cb 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3kyl h HIS 415 CO 0.00 0.00 -0.56 0.87 0.86 0.00 0.00 177.93 179.10 3kyl h LYS 416 N 0.00 0.00 -5.28 2.45 1.57 -1.49 0.24 116.57 114.07 3kyl h LYS 416 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3kyl h LYS 416 Cb 0.79 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.87 3kyl h LYS 416 CO 0.00 0.56 -0.68 -0.06 -0.57 0.00 0.00 179.45 178.70 3kyl s PHE 417 N -3.45 2.99 -0.52 -1.35 0.08 -1.22 -4.81 117.98 109.71 3kyl s PHE 417 Ca -0.00 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 56.48 3kyl s PHE 417 Cb 0.11 -1.95 0.07 0.00 -0.57 0.00 0.00 43.02 40.68 3kyl s PHE 417 CO 0.74 -0.09 0.59 0.21 -0.10 0.00 0.00 175.22 176.57 3kyl s LYS 418 N 0.44 3.07 0.11 0.44 2.20 -1.26 -4.91 119.74 119.83 3kyl s LYS 418 Ca -0.05 -1.10 0.23 0.00 -0.36 0.00 0.00 55.97 54.70 3kyl s LYS 418 Cb -0.14 -4.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.01 3kyl s LYS 418 CO 0.03 -1.25 0.96 1.28 -0.36 0.00 0.00 175.35 176.01 3kyl n LEU 419 N 5.97 0.62 -4.18 5.43 4.77 -1.26 -4.88 117.00 123.47 3kyl n LEU 419 Ca -0.09 0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 3kyl n LEU 419 Cb 0.44 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 3kyl n LEU 419 CO 0.53 -0.08 -0.50 0.26 -1.33 0.00 0.00 177.39 176.28 3kyl s TRP 420 N -3.33 2.81 -0.37 -1.77 0.52 -1.26 -4.96 118.94 110.57 3kyl s TRP 420 Ca -0.00 -1.42 -0.04 0.00 0.02 0.00 0.00 56.10 54.66 3kyl s TRP 420 Cb 0.12 -1.95 0.08 0.00 -1.15 0.00 0.00 33.47 30.57 3kyl s TRP 420 CO 0.81 -0.71 0.14 1.21 0.02 0.00 0.00 176.95 178.43 3kyl s ASN 421 N 1.24 5.23 0.44 2.95 3.84 -1.26 -4.81 114.94 122.57 3kyl s ASN 421 Ca 0.03 -1.61 0.19 0.00 0.21 0.00 0.00 52.86 51.68 3kyl s ASN 421 Cb -0.14 -1.83 1.03 0.00 -0.55 0.00 0.00 41.25 39.77 3kyl s ASN 421 CO -0.09 -0.44 1.93 0.15 -2.79 0.00 0.00 177.10 175.87 3kyl h PHE 422 N 8.12 0.00 0.00 0.43 3.57 -1.98 -1.09 116.94 125.99 3kyl h PHE 422 Ca -0.18 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 3kyl h PHE 422 Cb 1.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3kyl h PHE 422 CO 0.59 0.24 -0.39 -0.91 -2.23 0.00 0.00 178.31 175.60 3kyl h ASN 423 N 0.00 0.00 -2.61 0.41 2.35 -2.02 -3.39 115.58 110.31 3kyl h ASN 423 Ca -0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 3kyl h ASN 423 Cb 0.51 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.48 3kyl h ASN 423 CO 0.03 0.39 -0.77 -3.20 -1.65 0.00 0.00 177.43 172.23 3kyl n ASN 424 N -3.33 1.55 -4.80 5.81 2.85 -0.42 -5.11 115.26 111.81 3kyl n ASN 424 Ca 0.01 -2.88 -0.36 0.00 -0.11 0.00 0.00 54.58 51.24 3kyl n ASN 424 Cb 0.61 -0.66 -0.06 0.00 1.24 0.00 0.00 39.78 40.90 3kyl n ASN 424 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3kyl s GLN 425 N -1.00 4.40 -0.14 1.20 -0.21 -1.18 -4.52 119.66 118.20 3kyl s GLN 425 Ca 0.31 1.13 0.02 0.00 0.02 0.00 0.00 55.36 56.83 3kyl s GLN 425 Cb 0.03 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.36 3kyl s GLN 425 CO -0.16 0.25 -0.20 0.42 -2.12 0.00 0.00 175.29 173.48 3kyl s ILE 426 N -1.71 1.97 0.68 1.08 1.01 -1.26 -5.04 121.20 117.93 3kyl s ILE 426 Ca 0.50 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 3kyl s ILE 426 Cb -0.16 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3kyl s ILE 426 CO 0.21 0.53 1.07 -0.94 0.00 0.00 0.00 174.94 175.81 3kyl s SER 427 N 0.94 5.30 0.00 3.58 1.04 -1.26 -4.92 113.70 118.38 3kyl s SER 427 Ca -0.05 1.73 0.06 0.00 0.48 0.00 0.00 55.95 58.17 3kyl s SER 427 Cb -0.15 -2.51 0.27 0.00 0.10 0.00 0.00 66.02 63.73 3kyl s SER 427 CO -0.04 -1.50 1.18 -0.90 0.98 0.00 0.00 173.24 172.97 3kyl n ASP 428 N -2.89 0.00 -0.67 7.02 5.68 -1.26 -1.62 116.55 122.82 3kyl n ASP 428 Ca 0.08 0.46 0.13 0.00 -0.50 0.00 0.00 54.79 54.97 3kyl n ASP 428 Cb 0.53 -0.48 0.34 0.00 -1.14 0.00 0.00 41.12 40.37 3kyl n ASP 428 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kyl n ASP 429 N -1.48 2.10 -3.39 -1.12 5.75 -1.26 -4.57 116.55 112.58 3kyl n ASP 429 Ca 0.02 -1.68 -0.26 0.00 -0.01 0.00 0.00 54.79 52.85 3kyl n ASP 429 Cb 0.07 0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 3kyl n ASP 429 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kyl n ASN 430 N 0.62 2.03 0.19 -1.12 5.15 -0.64 -4.90 115.26 116.58 3kyl n ASN 430 Ca 0.17 -3.05 0.04 0.00 -0.60 0.00 0.00 54.58 51.13 3kyl n ASN 430 Cb 0.46 -0.66 0.37 0.00 -0.53 0.00 0.00 39.78 39.42 3kyl n ASN 430 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3kyl h PRO 431 N 4.39 0.00 -0.26 1.20 0.11 -1.80 -3.18 132.00 132.45 3kyl h PRO 431 Ca 0.16 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.30 3kyl h PRO 431 Cb 0.77 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 3kyl h PRO 431 CO 0.65 0.37 0.05 0.00 -0.21 0.00 0.00 178.00 178.87 3kyl h ALA 432 N 1.63 0.27 -0.16 -0.75 0.00 -1.97 0.13 119.26 118.41 3kyl h ALA 432 Ca -0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3kyl h ALA 432 Cb 0.72 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3kyl h ALA 432 CO 0.05 -0.36 -0.11 -0.09 0.00 0.00 0.00 179.25 178.73 3kyl h ARG 433 N 0.15 -0.12 -0.56 0.00 9.65 -1.97 -2.39 114.38 119.15 3kyl h ARG 433 Ca 0.12 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.09 3kyl h ARG 433 Cb 0.12 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 3kyl h ARG 433 CO -0.16 -0.08 0.22 0.35 2.80 0.00 0.00 179.97 183.10 3kyl h PHE 434 N -0.12 0.38 -0.20 2.20 3.04 -1.42 -1.43 116.94 119.38 3kyl h PHE 434 Ca 0.10 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 3kyl h PHE 434 Cb 0.26 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 3kyl h PHE 434 CO -0.25 0.12 -0.25 1.25 -2.02 0.00 0.00 178.31 177.16 3kyl h LEU 435 N 0.41 0.38 0.01 0.59 6.46 -0.73 -2.19 115.31 120.23 3kyl h LEU 435 Ca 0.27 -0.12 -0.20 0.00 -0.12 0.00 0.00 57.88 57.71 3kyl h LEU 435 Cb 0.30 -0.10 0.02 0.00 -0.73 0.00 0.00 40.66 40.15 3kyl h LEU 435 CO -0.27 0.63 -0.78 1.56 -0.62 0.00 0.00 178.44 178.96 3kyl h GLN 436 N 0.34 0.51 -0.60 1.25 4.20 -0.98 -1.65 115.11 118.17 3kyl h GLN 436 Ca 0.05 -0.56 0.11 0.00 0.06 0.00 0.00 58.65 58.30 3kyl h GLN 436 Cb 0.63 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 3kyl h GLN 436 CO 0.05 1.20 0.41 -0.22 -0.67 0.00 0.00 178.83 179.59 3kyl h LYS 437 N 0.06 0.36 0.03 1.46 1.63 -1.22 -1.44 116.57 117.45 3kyl h LYS 437 Ca -0.10 -0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.42 3kyl h LYS 437 Cb 1.48 -0.08 0.02 0.00 -0.60 0.00 0.00 32.23 33.05 3kyl h LYS 437 CO 0.15 0.24 -1.06 0.00 -3.45 0.00 0.00 179.45 175.34 3kyl h ALA 438 N 1.70 0.18 -0.10 5.00 0.00 -1.35 -3.24 119.26 121.45 3kyl h ALA 438 Ca 0.28 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kyl h ALA 438 Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kyl h ALA 438 CO -0.07 0.74 0.00 -1.33 0.00 0.00 0.00 179.25 178.59 3kyl n MET 439 N -3.79 1.26 -1.69 0.00 2.81 -0.63 -4.89 117.12 110.19 3kyl n MET 439 Ca -0.10 -0.40 -0.44 0.00 -1.81 0.00 0.00 57.70 54.94 3kyl n MET 439 Cb 0.89 -1.15 -0.04 0.00 -0.71 0.00 0.00 33.22 32.22 3kyl n MET 439 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kyl n ASP 440 N -0.23 3.53 0.07 7.83 2.03 -0.63 -4.90 116.55 124.25 3kyl n ASP 440 Ca 0.07 1.05 0.10 0.00 0.52 0.00 0.00 54.79 56.53 3kyl n ASP 440 Cb 0.11 -1.48 0.57 0.00 -0.72 0.00 0.00 41.12 39.60 3kyl n ASP 440 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3kyl h PHE 441 N 6.87 0.22 -1.01 -0.67 3.57 -1.90 -3.20 116.94 120.81 3kyl h PHE 441 Ca -0.45 0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.35 3kyl h PHE 441 Cb 1.24 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 3kyl h PHE 441 CO 0.68 0.12 0.80 -1.35 -2.23 0.00 0.00 178.31 176.33 3kyl h PRO 442 N 0.22 0.00 0.00 6.41 0.11 -1.98 -2.30 132.00 134.47 3kyl h PRO 442 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3kyl h PRO 442 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3kyl h PRO 442 CO -0.03 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.03 3kyl h PHE 443 N 0.00 0.00 0.00 0.65 -5.15 -1.94 -3.14 116.94 107.36 3kyl h PHE 443 Ca 0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.25 3kyl h PHE 443 Cb 2.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.25 3kyl h PHE 443 CO 0.00 0.00 0.00 1.51 -2.00 0.00 0.00 178.31 177.82 3kyl n ILE 444 N -2.46 0.63 0.07 0.88 0.13 -0.87 -4.74 119.36 113.01 3kyl n ILE 444 Ca 0.02 -0.69 0.00 0.00 -1.10 0.00 0.00 62.75 60.99 3kyl n ILE 444 Cb 0.27 0.72 0.32 0.00 -0.84 0.00 0.00 39.64 40.10 3kyl n ILE 444 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kyl h ASN 446 N 0.31 0.00 -0.10 0.00 2.35 -1.85 0.13 115.58 116.42 3kyl h ASN 446 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kyl h ASN 446 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3kyl h ASN 446 CO 0.03 0.00 0.00 -0.24 -1.65 0.00 0.00 177.43 175.57 3kyl n SER 447 N -2.84 3.04 -2.60 5.81 2.88 -0.77 -4.56 113.62 114.59 3kyl n SER 447 Ca -0.02 -1.98 -0.30 0.00 -1.33 0.00 0.00 58.87 55.24 3kyl n SER 447 Cb 0.09 -0.05 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 3kyl n SER 447 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3kyl n PHE 448 N 1.34 3.34 -3.88 0.66 3.01 0.46 -4.90 117.46 117.49 3kyl n PHE 448 Ca 0.15 -2.96 -0.26 0.00 1.01 0.00 0.00 57.45 55.38 3kyl n PHE 448 Cb 0.59 -0.35 -0.00 0.00 -0.01 0.00 0.00 39.48 39.71 3kyl n PHE 448 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3kyl s THR 449 N -5.40 1.58 0.40 4.37 -4.23 -1.25 -4.99 115.64 106.12 3kyl s THR 449 Ca 0.49 -1.48 0.22 0.00 -1.18 0.00 0.00 61.69 59.73 3kyl s THR 449 Cb 0.40 -2.06 0.23 0.00 1.34 0.00 0.00 72.50 72.42 3kyl s THR 449 CO -0.24 0.00 2.00 0.07 -0.54 0.00 0.00 174.62 175.92 3kyl h LYS 450 N 0.70 0.00 0.00 3.99 2.10 -1.96 -2.67 116.57 118.72 3kyl h LYS 450 Ca -0.36 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 3kyl h LYS 450 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3kyl h LYS 450 CO 0.56 0.18 -0.07 0.74 -2.00 0.00 0.00 179.45 178.86 3kyl h PHE 451 N 0.00 0.00 0.00 0.07 -1.00 -1.97 -1.93 116.94 112.11 3kyl h PHE 451 Ca -0.00 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.46 3kyl h PHE 451 Cb 0.40 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.90 3kyl h PHE 451 CO 0.00 0.07 -2.21 0.39 -1.61 0.00 0.00 178.31 174.94 3kyl n GLU 452 N -3.78 1.11 -0.00 1.51 4.71 -1.03 -4.70 120.64 118.46 3kyl n GLU 452 Ca -0.02 -0.01 0.09 0.00 -0.01 0.00 0.00 57.16 57.20 3kyl n GLU 452 Cb 0.16 -1.45 -0.11 0.00 -1.01 0.00 0.00 31.44 29.03 3kyl n GLU 452 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3kyl n PHE 453 N -2.65 0.00 -1.48 -0.32 0.99 -1.05 -4.23 117.46 108.71 3kyl n PHE 453 Ca -0.29 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 56.81 3kyl n PHE 453 Cb 1.08 -0.12 0.09 0.00 -1.00 0.00 0.00 39.48 39.53 3kyl n PHE 453 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3kyl n ASN 454 N -1.63 1.66 -0.61 4.37 6.94 -0.74 -4.41 115.26 120.85 3kyl n ASN 454 Ca 0.01 0.73 0.06 0.00 -0.02 0.00 0.00 54.58 55.37 3kyl n ASN 454 Cb 0.34 -1.54 0.21 0.00 -2.36 0.00 0.00 39.78 36.43 3kyl n ASN 454 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3kyl n THR 455 N -2.46 2.21 -0.05 5.53 -2.24 -0.77 -4.32 114.28 112.18 3kyl n THR 455 Ca 0.15 -3.21 -0.03 0.00 -2.27 0.00 0.00 64.05 58.69 3kyl n THR 455 Cb 0.49 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 3kyl n THR 455 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kyl h VAL 456 N 0.98 0.33 0.00 2.28 2.07 -1.84 -1.72 116.25 118.35 3kyl h VAL 456 Ca 0.01 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 3kyl h VAL 456 Cb 1.02 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3kyl h VAL 456 CO 0.01 0.11 -1.30 2.22 0.02 0.00 0.00 177.57 178.63 3kyl n PHE 457 N -4.74 0.00 -2.59 1.57 1.16 -1.26 -4.63 117.46 106.97 3kyl n PHE 457 Ca -0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.14 3kyl n PHE 457 Cb 0.10 -0.17 -0.03 0.00 -1.61 0.00 0.00 39.48 37.76 3kyl n PHE 457 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3kyl s ASN 458 N -2.96 7.29 1.09 5.98 0.02 -1.26 -4.63 114.94 120.47 3kyl s ASN 458 Ca -0.02 1.87 -0.12 0.00 -1.02 0.00 0.00 52.86 53.57 3kyl s ASN 458 Cb 0.03 -2.58 0.24 0.00 0.02 0.00 0.00 41.25 38.96 3kyl s ASN 458 CO 0.24 -0.28 1.06 -1.81 0.02 0.00 0.00 177.10 176.33 3kyl s ASP 459 N 0.62 1.55 0.19 -1.22 1.01 -1.26 -4.34 116.67 113.21 3kyl s ASP 459 Ca 0.53 1.66 -0.05 0.00 0.71 0.00 0.00 52.55 55.40 3kyl s ASP 459 Cb -0.26 -2.35 0.10 0.00 1.01 0.00 0.00 42.92 41.42 3kyl s ASP 459 CO 0.30 -3.87 1.52 -0.61 0.21 0.00 0.00 175.17 172.72 3kyl h GLN 460 N -2.40 0.69 -0.10 8.23 4.15 -1.92 -2.96 115.11 120.80 3kyl h GLN 460 Ca -0.57 -0.38 -0.08 0.00 0.77 0.00 0.00 58.65 58.39 3kyl h GLN 460 Cb 1.32 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 3kyl h GLN 460 CO 0.49 1.00 -0.30 0.07 -1.93 0.00 0.00 178.83 178.16 3kyl h ARG 461 N 0.55 0.19 -0.71 1.69 0.11 -1.95 -2.39 114.38 111.86 3kyl h ARG 461 Ca 0.04 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 3kyl h ARG 461 Cb 1.00 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.03 3kyl h ARG 461 CO 0.09 0.47 0.31 1.15 0.10 0.00 0.00 179.97 182.10 3kyl h THR 462 N 0.17 1.24 -0.00 0.08 2.02 -1.91 -1.66 112.91 112.85 3kyl h THR 462 Ca 0.02 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.50 3kyl h THR 462 Cb 0.62 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3kyl h THR 462 CO 0.04 0.30 -0.11 0.58 0.37 0.00 0.00 175.52 176.71 3kyl h VAL 463 N 1.01 0.73 -0.47 3.16 2.07 -1.28 -0.76 116.25 120.71 3kyl h VAL 463 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 3kyl h VAL 463 Cb 0.17 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3kyl h VAL 463 CO -0.02 0.00 0.24 -0.26 0.02 0.00 0.00 177.57 177.54 3kyl h PHE 464 N -0.18 0.66 -0.96 1.57 0.04 -1.39 -1.20 116.94 115.48 3kyl h PHE 464 Ca 0.04 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.87 3kyl h PHE 464 Cb 0.23 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 3kyl h PHE 464 CO -0.17 0.52 0.60 0.00 -0.60 0.00 0.00 178.31 178.66 3kyl h ALA 465 N 1.08 1.37 -0.29 2.45 0.00 -1.14 0.89 119.26 123.63 3kyl h ALA 465 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3kyl h ALA 465 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kyl h ALA 465 CO -0.02 0.31 0.01 -0.91 0.00 0.00 0.00 179.25 178.64 3kyl h ASN 466 N 1.04 0.49 -0.44 0.00 2.35 -0.51 -0.81 115.58 117.71 3kyl h ASN 466 Ca 0.44 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3kyl h ASN 466 Cb 0.29 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3kyl h ASN 466 CO -0.21 0.66 0.19 0.15 -1.65 0.00 0.00 177.43 176.58 3kyl h PHE 467 N 0.30 0.65 -0.05 1.19 3.57 -0.78 -0.36 116.94 121.46 3kyl h PHE 467 Ca 0.08 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3kyl h PHE 467 Cb 0.41 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3kyl h PHE 467 CO 0.03 0.55 -0.05 -0.92 -2.23 0.00 0.00 178.31 175.69 3kyl h TYR 468 N 0.57 -0.13 -0.71 0.41 3.20 -0.81 -0.23 116.97 119.28 3kyl h TYR 468 Ca 0.15 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.09 3kyl h TYR 468 Cb 0.15 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3kyl h TYR 468 CO -0.00 -0.08 0.39 -0.44 -1.64 0.00 0.00 178.16 176.39 3kyl h ASP 469 N -0.07 0.58 -0.00 -2.11 3.32 -0.93 -0.57 116.42 116.63 3kyl h ASP 469 Ca 0.04 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3kyl h ASP 469 Cb 0.13 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3kyl h ASP 469 CO -0.09 0.36 -0.14 0.00 -1.72 0.00 0.00 179.24 177.65 3kyl h ALA 470 N 1.37 -0.16 0.00 3.45 0.00 -0.79 -2.73 119.26 120.41 3kyl h ALA 470 Ca 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3kyl h ALA 470 Cb 0.23 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kyl h ALA 470 CO -0.20 -0.63 -0.03 0.52 0.00 0.00 0.00 179.25 178.91 3kyl h MET 471 N -0.23 0.00 -0.52 0.00 2.86 -0.18 -0.69 114.93 116.17 3kyl h MET 471 Ca 0.05 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 3kyl h MET 471 Cb 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3kyl h MET 471 CO -0.14 0.03 -0.14 0.82 1.06 0.00 0.00 176.91 178.55 3kyl h ILE 472 N 0.00 1.27 -0.21 -1.22 1.08 -0.82 -2.19 117.51 115.42 3kyl h ILE 472 Ca -0.00 -1.29 -0.09 0.00 -0.39 0.00 0.00 64.86 63.09 3kyl h ILE 472 Cb 0.29 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 3kyl h ILE 472 CO 0.00 0.45 -0.26 0.00 -0.69 0.00 0.00 178.15 177.66 3kyl h VAL 474 N 0.35 1.14 -0.57 0.00 2.07 -1.27 -2.06 116.25 115.92 3kyl h VAL 474 Ca 0.05 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3kyl h VAL 474 Cb 0.65 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3kyl h VAL 474 CO 0.05 0.14 0.29 0.00 0.02 0.00 0.00 177.57 178.07 3kyl h ALA 475 N 1.01 1.45 -0.47 1.67 0.00 -1.27 0.13 119.26 121.78 3kyl h ALA 475 Ca 0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3kyl h ALA 475 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kyl h ALA 475 CO -0.01 0.45 -0.14 1.88 0.00 0.00 0.00 179.25 181.42 3kyl h TYR 476 N 0.79 0.98 -0.37 0.00 0.99 -1.22 0.90 116.97 119.04 3kyl h TYR 476 Ca 0.20 -0.20 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 3kyl h TYR 476 Cb 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.53 3kyl h TYR 476 CO 0.01 0.96 -0.03 -0.22 -0.00 0.00 0.00 178.16 178.87 3kyl h LYS 477 N 0.78 0.68 -0.40 4.88 3.64 -0.84 0.67 116.57 125.98 3kyl h LYS 477 Ca 0.12 -0.23 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3kyl h LYS 477 Cb 0.67 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 3kyl h LYS 477 CO 0.05 0.80 0.04 0.35 -2.27 0.00 0.00 179.45 178.42 3kyl h PHE 478 N 0.48 0.05 -0.50 1.91 3.57 -0.72 0.12 116.94 121.85 3kyl h PHE 478 Ca 0.10 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3kyl h PHE 478 Cb 0.52 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3kyl h PHE 478 CO 0.04 -0.04 0.32 0.22 -2.23 0.00 0.00 178.31 176.63 3kyl h ASP 479 N 0.15 0.56 -0.35 0.41 3.58 -0.73 -1.94 116.42 118.09 3kyl h ASP 479 Ca 0.20 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 3kyl h ASP 479 Cb 0.26 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3kyl h ASP 479 CO -0.29 0.40 0.22 0.00 -2.88 0.00 0.00 179.24 176.69 3kyl h ALA 480 N 1.19 1.71 -0.08 -0.78 0.00 0.10 -2.30 119.26 119.11 3kyl h ALA 480 Ca 0.18 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 3kyl h ALA 480 Cb -0.06 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kyl h ALA 480 CO -0.05 0.26 -0.87 0.00 0.00 0.00 0.00 179.25 178.59 3kyl h ALA 481 N 1.75 0.21 -0.61 0.00 0.00 -0.48 -3.16 119.26 116.97 3kyl h ALA 481 Ca 0.13 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3kyl h ALA 481 Cb -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kyl h ALA 481 CO -0.03 0.65 0.26 1.98 0.00 0.00 0.00 179.25 182.11 3kyl h MET 482 N 0.43 0.90 -0.05 0.00 -1.53 -0.89 -0.22 114.93 113.56 3kyl h MET 482 Ca -0.09 -0.16 0.01 0.00 -3.44 0.00 0.00 59.70 56.03 3kyl h MET 482 Cb 1.51 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 32.41 3kyl h MET 482 CO 0.17 0.76 0.04 0.52 0.14 0.00 0.00 176.91 178.54 3kyl h MET 483 N 0.84 0.01 0.00 0.39 2.86 -1.51 0.31 114.93 117.83 3kyl h MET 483 Ca 0.20 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3kyl h MET 483 Cb 0.18 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3kyl h MET 483 CO -0.02 0.01 -0.19 0.00 1.06 0.00 0.00 176.91 177.77 3kyl h ALA 484 N 1.97 0.88 0.18 6.32 0.00 -1.20 -3.17 119.26 124.25 3kyl h ALA 484 Ca 0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 3kyl h ALA 484 Cb 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.87 3kyl h ALA 484 CO -0.00 0.24 -1.35 -0.07 0.00 0.00 0.00 179.25 178.08 3kyl h LEU 485 N 0.00 0.74 -1.06 0.00 3.38 0.67 -3.05 115.31 115.98 3kyl h LEU 485 Ca -0.00 -0.75 -0.07 0.00 0.09 0.00 0.00 57.88 57.14 3kyl h LEU 485 Cb 1.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3kyl h LEU 485 CO 0.03 1.58 -0.09 0.03 0.09 0.00 0.00 178.44 180.07 3kyl h ARG 486 N 0.16 0.56 -0.12 1.13 3.08 -1.07 -0.46 114.38 117.66 3kyl h ARG 486 Ca -0.20 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3kyl h ARG 486 Cb 2.04 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.03 3kyl h ARG 486 CO 0.25 0.65 0.00 0.25 -1.07 0.00 0.00 179.97 180.05 3kyl n THR 487 N -4.21 1.80 0.00 2.04 -2.24 -1.20 -4.21 114.28 106.27 3kyl n THR 487 Ca 0.01 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.96 3kyl n THR 487 Cb 0.31 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3kyl n THR 487 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kyl n SER 488 N -0.79 0.00 0.08 3.42 2.88 -1.15 -4.89 113.62 113.17 3kyl n SER 488 Ca 0.15 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.73 3kyl n SER 488 Cb 0.65 0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 64.16 3kyl n SER 488 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3kyl h PHE 489 N 0.00 0.00 -6.30 0.66 0.04 -1.60 -3.45 116.94 106.29 3kyl h PHE 489 Ca 0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 3kyl h PHE 489 Cb 0.00 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.17 3kyl h PHE 489 CO 0.00 0.41 -0.77 1.28 -0.60 0.00 0.00 178.31 178.62 3kyl n LEU 490 N -2.94 -3.24 -4.76 1.54 4.32 -0.20 -4.83 117.00 106.89 3kyl n LEU 490 Ca -0.04 -0.77 -0.38 0.00 -0.02 0.00 0.00 56.01 54.80 3kyl n LEU 490 Cb 0.74 -2.22 0.02 0.00 -1.62 0.00 0.00 43.42 40.34 3kyl n LEU 490 CO 0.41 0.04 0.96 -0.69 -1.22 0.00 0.00 177.39 176.89 3kyl s VAL 491 N -3.12 2.37 0.00 4.08 1.01 -1.25 -5.03 120.40 118.46 3kyl s VAL 491 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3kyl s VAL 491 Cb -0.05 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3kyl s VAL 491 CO 0.86 0.01 0.00 0.59 0.00 0.00 0.00 175.10 176.56 3kyl n ASN 492 N -0.62 0.00 -4.79 3.32 4.13 -1.26 -4.92 115.26 111.12 3kyl n ASN 492 Ca 0.08 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.98 3kyl n ASN 492 Cb 0.45 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.62 3kyl n ASN 492 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3kyl s ASP 493 N -1.43 7.24 -0.59 6.41 1.47 -1.26 -4.98 116.67 123.54 3kyl s ASP 493 Ca 0.00 1.74 -0.02 0.00 1.18 0.00 0.00 52.55 55.45 3kyl s ASP 493 Cb 0.00 -2.54 0.39 0.00 -0.34 0.00 0.00 42.92 40.42 3kyl s ASP 493 CO 0.00 -0.08 2.04 0.49 0.68 0.00 0.00 175.17 178.30 3kyl n PHE 494 N 0.44 2.81 -0.11 2.11 3.01 -1.26 -4.64 117.46 119.82 3kyl n PHE 494 Ca 0.02 -2.76 -0.13 0.00 1.01 0.00 0.00 57.45 55.59 3kyl n PHE 494 Cb 0.51 -1.33 -0.03 0.00 -0.01 0.00 0.00 39.48 38.61 3kyl n PHE 494 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kyl h GLY 495 N 2.16 0.82 2.00 1.37 0.00 -2.03 -3.06 103.07 104.33 3kyl h GLY 495 Ca 0.53 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3kyl h GLY 495 CO 1.39 0.74 -0.20 0.27 0.00 0.00 0.00 176.54 178.73 3kyl h PHE 496 N 0.52 0.00 -0.59 5.60 -0.00 -2.01 -3.18 116.94 117.28 3kyl h PHE 496 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 57.97 58.13 3kyl h PHE 496 Cb 0.84 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 36.71 3kyl h PHE 496 CO 0.07 0.20 0.17 0.82 -0.00 0.00 0.00 178.31 179.56 3kyl h ILE 497 N 0.00 0.71 -0.65 0.88 2.04 -1.90 -0.50 117.51 118.09 3kyl h ILE 497 Ca -0.00 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3kyl h ILE 497 Cb 0.41 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3kyl h ILE 497 CO 0.03 0.06 0.28 -0.25 0.00 0.00 0.00 178.15 178.26 3kyl h TRP 498 N 0.32 0.97 -0.42 1.37 2.91 -1.71 -1.48 115.95 117.91 3kyl h TRP 498 Ca 0.30 -0.06 -0.06 0.00 1.13 0.00 0.00 58.89 60.20 3kyl h TRP 498 Cb 0.41 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 3kyl h TRP 498 CO -0.21 0.75 0.03 -0.07 -1.03 0.00 0.00 178.44 177.92 3kyl h LEU 499 N 0.91 0.70 -0.25 0.65 3.38 -1.36 -0.99 115.31 118.35 3kyl h LEU 499 Ca 0.22 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kyl h LEU 499 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kyl h LEU 499 CO -0.02 0.82 0.03 0.58 0.09 0.00 0.00 178.44 179.94 3kyl h VAL 500 N 0.57 1.23 -0.38 1.22 2.07 -1.09 -1.91 116.25 117.96 3kyl h VAL 500 Ca 0.12 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3kyl h VAL 500 Cb 0.43 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3kyl h VAL 500 CO 0.02 0.25 0.20 0.25 0.02 0.00 0.00 177.57 178.31 3kyl h LEU 501 N 0.22 0.31 -0.59 2.57 5.85 -1.18 0.28 115.31 122.77 3kyl h LEU 501 Ca 0.07 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3kyl h LEU 501 Cb 0.34 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3kyl h LEU 501 CO 0.01 0.23 0.25 0.28 -0.34 0.00 0.00 178.44 178.86 3kyl h SER 502 N 0.42 0.80 -0.61 1.25 0.02 -1.17 -0.07 113.55 114.20 3kyl h SER 502 Ca 0.16 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3kyl h SER 502 Cb 0.05 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3kyl h SER 502 CO -0.10 0.74 0.34 0.28 -1.14 0.00 0.00 176.83 176.95 3kyl h SER 503 N 0.81 0.75 -0.36 3.07 0.02 -0.96 -1.42 113.55 115.46 3kyl h SER 503 Ca 0.20 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3kyl h SER 503 Cb 0.18 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3kyl h SER 503 CO -0.02 0.62 0.15 0.74 -1.14 0.00 0.00 176.83 177.19 3kyl h THR 504 N 0.82 1.18 -0.14 -2.27 2.02 -0.02 0.18 112.91 114.69 3kyl h THR 504 Ca 0.21 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3kyl h THR 504 Cb 0.03 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3kyl h THR 504 CO -0.04 0.20 0.06 0.58 0.37 0.00 0.00 175.52 176.69 3kyl h VAL 505 N 0.43 1.13 0.00 3.16 2.07 -0.95 -2.69 116.25 119.41 3kyl h VAL 505 Ca 0.12 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3kyl h VAL 505 Cb 0.17 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3kyl h VAL 505 CO -0.01 0.12 -0.50 -0.09 0.02 0.00 0.00 177.57 177.12 3kyl h ARG 506 N 0.08 0.00 0.03 1.57 2.43 -1.12 -2.77 114.38 114.61 3kyl h ARG 506 Ca 0.05 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3kyl h ARG 506 Cb 0.14 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3kyl h ARG 506 CO -0.01 0.50 -0.48 0.00 -1.51 0.00 0.00 179.97 178.47 3kyl h ALA 507 N 1.50 0.02 -0.11 2.80 0.00 -0.59 -3.11 119.26 119.77 3kyl h ALA 507 Ca -0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 3kyl h ALA 507 Cb 0.91 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kyl h ALA 507 CO 0.06 0.24 -0.54 1.88 0.00 0.00 0.00 179.25 180.89 3kyl h TYR 508 N -0.37 0.39 -0.44 0.00 -1.99 -1.50 -1.30 116.97 111.77 3kyl h TYR 508 Ca -0.07 -0.13 -0.10 0.00 2.00 0.00 0.00 58.73 60.43 3kyl h TYR 508 Cb 1.25 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.89 3kyl h TYR 508 CO 0.18 0.78 -0.14 0.00 -0.00 0.00 0.00 178.16 178.99 3kyl h ALA 509 N 1.19 0.94 0.00 3.88 0.00 -1.61 0.88 119.26 124.54 3kyl h ALA 509 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3kyl h ALA 509 Cb 1.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kyl h ALA 509 CO 0.09 0.62 -0.53 0.77 0.00 0.00 0.00 179.25 180.20 3kyl h SER 510 N 0.72 0.00 -0.12 0.00 0.02 -1.41 0.10 113.55 112.87 3kyl h SER 510 Ca 0.12 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 3kyl h SER 510 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3kyl h SER 510 CO 0.04 0.53 -0.42 0.03 -1.14 0.00 0.00 176.83 175.87 3kyl h ARG 511 N 0.00 0.50 0.26 3.45 3.08 -0.80 -2.22 114.38 118.65 3kyl h ARG 511 Ca -0.01 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3kyl h ARG 511 Cb 0.93 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3kyl h ARG 511 CO 0.07 1.00 -0.20 0.00 -1.07 0.00 0.00 179.97 179.77 3kyl h ALA 512 N 0.50 -0.45 -0.95 0.04 0.00 -0.76 -1.98 119.26 115.66 3kyl h ALA 512 Ca -0.02 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.96 3kyl h ALA 512 Cb 1.05 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 3kyl h ALA 512 CO 0.09 -0.77 0.57 0.35 0.00 0.00 0.00 179.25 179.48 3kyl h PHE 513 N -0.47 1.01 -0.36 0.00 3.57 -0.84 0.55 116.94 120.40 3kyl h PHE 513 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3kyl h PHE 513 Cb 0.41 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3kyl h PHE 513 CO -0.12 0.32 0.06 -0.22 -2.23 0.00 0.00 178.31 176.12 3kyl h LYS 514 N 0.83 0.60 -0.73 1.11 3.64 -1.28 -2.43 116.57 118.30 3kyl h LYS 514 Ca 0.50 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 3kyl h LYS 514 Cb 0.62 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3kyl h LYS 514 CO -0.32 0.67 0.28 0.87 -2.27 0.00 0.00 179.45 178.68 3kyl h LYS 515 N 0.43 1.08 0.02 1.90 1.79 -0.45 -2.19 116.57 119.16 3kyl h LYS 515 Ca 0.11 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3kyl h LYS 515 Cb 0.36 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3kyl h LYS 515 CO 0.01 0.89 -0.01 0.82 -1.08 0.00 0.00 179.45 180.07 3kyl h ILE 516 N 1.06 1.08 -0.62 1.86 2.04 -0.82 -1.74 117.51 120.36 3kyl h ILE 516 Ca 0.24 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 3kyl h ILE 516 Cb 0.21 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3kyl h ILE 516 CO -0.02 0.07 0.11 0.58 0.00 0.00 0.00 178.15 178.90 3kyl h VAL 517 N -0.15 1.25 0.88 1.67 2.07 -1.39 -2.21 116.25 118.37 3kyl h VAL 517 Ca -0.00 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 3kyl h VAL 517 Cb 0.14 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3kyl h VAL 517 CO 0.00 0.36 -0.42 0.74 0.02 0.00 0.00 177.57 178.27 3kyl h THR 518 N 0.94 0.11 -0.52 2.57 2.02 -1.32 -3.15 112.91 113.55 3kyl h THR 518 Ca 0.19 -0.04 -0.31 0.00 0.77 0.00 0.00 66.41 67.02 3kyl h THR 518 Cb 0.39 0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 66.76 3kyl h THR 518 CO 0.01 0.00 0.39 -1.22 0.37 0.00 0.00 175.52 175.07 3kyl n TYR 519 N -5.59 1.64 -1.77 3.16 4.02 -0.66 -4.95 117.16 113.02 3kyl n TYR 519 Ca -0.15 -1.57 -0.39 0.00 -0.01 0.00 0.00 57.90 55.78 3kyl n TYR 519 Cb 0.47 -0.78 0.04 0.00 -0.02 0.00 0.00 39.34 39.05 3kyl n TYR 519 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3kyl s LYS 520 N -1.84 3.22 0.00 -0.72 2.20 -0.84 -1.84 119.74 119.92 3kyl s LYS 520 Ca 0.32 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3kyl s LYS 520 Cb 0.26 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 3kyl s LYS 520 CO 0.03 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.29 3kyl n GLY 521 N 0.70 3.92 0.26 5.54 0.00 -1.24 -4.70 105.19 109.68 3kyl n GLY 521 Ca 0.09 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.68 3kyl n GLY 521 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kyl h GLY 522 N 0.00 0.00 -0.13 -0.02 0.00 -1.81 -2.78 103.07 98.34 3kyl h GLY 522 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kyl h GLY 522 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3kyl n LYS 523 N -3.28 1.44 -2.52 4.80 5.02 -0.66 -4.86 118.16 118.10 3kyl n LYS 523 Ca -0.00 -0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 55.22 3kyl n LYS 523 Cb 0.31 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3kyl n LYS 523 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3kyl s TYR 524 N -1.93 3.53 -0.04 2.13 5.04 -1.05 -4.36 117.35 120.68 3kyl s TYR 524 Ca 0.35 1.46 -0.07 0.00 -2.44 0.00 0.00 57.07 56.37 3kyl s TYR 524 Cb 0.18 -3.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.16 3kyl s TYR 524 CO 0.29 -0.81 -0.13 0.54 -1.34 0.00 0.00 175.55 174.10 3kyl n ARG 525 N 3.74 0.20 -3.44 4.97 5.12 -1.26 -5.01 116.66 120.98 3kyl n ARG 525 Ca 0.07 0.08 0.01 0.00 -1.93 0.00 0.00 57.85 56.09 3kyl n ARG 525 Cb 0.48 -0.79 -0.05 0.00 -1.16 0.00 0.00 32.46 30.94 3kyl n ARG 525 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3kyl s LYS 526 N -2.07 0.23 0.03 5.56 2.20 -1.26 -5.14 119.74 119.29 3kyl s LYS 526 Ca -0.11 0.52 0.09 0.00 -0.36 0.00 0.00 55.97 56.11 3kyl s LYS 526 Cb 0.02 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 3kyl s LYS 526 CO 0.17 -0.07 -0.26 0.08 -0.36 0.00 0.00 175.35 174.90 3kyl s VAL 527 N 1.97 2.13 0.08 4.02 1.01 -1.26 -4.55 120.40 123.79 3kyl s VAL 527 Ca -0.04 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 60.70 3kyl s VAL 527 Cb -0.04 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3kyl s VAL 527 CO -0.16 0.43 -0.18 0.42 0.00 0.00 0.00 175.10 175.61 3kyl s THR 528 N -0.75 1.45 0.44 3.92 -4.23 -1.26 -5.03 115.64 110.18 3kyl s THR 528 Ca 0.11 -1.37 0.13 0.00 -1.18 0.00 0.00 61.69 59.38 3kyl s THR 528 Cb -0.10 -1.33 0.31 0.00 1.34 0.00 0.00 72.50 72.72 3kyl s THR 528 CO 0.01 -0.07 2.01 0.15 -0.54 0.00 0.00 174.62 176.18 3kyl h PHE 529 N 4.33 0.40 -0.66 3.99 3.57 -2.00 -1.30 116.94 125.28 3kyl h PHE 529 Ca -0.43 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 3kyl h PHE 529 Cb 1.18 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 3kyl h PHE 529 CO 0.60 0.21 0.28 1.96 -2.23 0.00 0.00 178.31 179.12 3kyl h GLN 530 N 0.40 0.98 -0.38 1.11 7.50 -1.99 -1.60 115.11 121.13 3kyl h GLN 530 Ca 0.22 -0.17 -0.13 0.00 0.50 0.00 0.00 58.65 59.08 3kyl h GLN 530 Cb 0.37 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.73 3kyl h GLN 530 CO -0.06 0.81 -0.28 0.00 -1.50 0.00 0.00 178.83 177.80 3kyl h LEU 532 N 0.68 0.72 -0.56 0.00 3.38 -1.35 -2.33 115.31 115.86 3kyl h LEU 532 Ca 0.08 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 3kyl h LEU 532 Cb 0.81 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3kyl h LEU 532 CO 0.07 1.41 0.29 0.50 0.09 0.00 0.00 178.44 180.80 3kyl h LYS 533 N 0.29 0.79 -0.06 1.13 3.64 -1.29 0.35 116.57 121.43 3kyl h LYS 533 Ca -0.12 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 3kyl h LYS 533 Cb 1.70 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.32 3kyl h LYS 533 CO 0.19 0.63 -0.30 0.77 -2.27 0.00 0.00 179.45 178.47 3kyl h SER 534 N 0.75 -0.92 -0.76 4.20 0.02 -1.39 0.13 113.55 115.58 3kyl h SER 534 Ca 0.19 0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.36 3kyl h SER 534 Cb 0.09 0.38 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 3kyl h SER 534 CO -0.03 -0.36 0.42 0.40 -1.14 0.00 0.00 176.83 176.12 3kyl h ILE 535 N -0.42 0.90 -0.31 3.27 2.04 -1.21 -1.32 117.51 120.46 3kyl h ILE 535 Ca 0.08 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3kyl h ILE 535 Cb 0.53 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3kyl h ILE 535 CO -0.29 0.13 0.19 0.00 0.00 0.00 0.00 178.15 178.18 3kyl h ALA 536 N 1.43 0.39 -0.42 1.87 0.00 -0.32 -1.26 119.26 120.95 3kyl h ALA 536 Ca 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3kyl h ALA 536 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kyl h ALA 536 CO -0.24 -0.11 0.22 -1.49 0.00 0.00 0.00 179.25 177.62 3kyl h TRP 537 N 0.40 0.59 -0.32 0.00 4.06 -0.61 -2.86 115.95 117.20 3kyl h TRP 537 Ca 0.11 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.99 3kyl h TRP 537 Cb 0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 3kyl h TRP 537 CO -0.04 0.46 -0.03 0.00 -3.56 0.00 0.00 178.44 175.26 3kyl h ARG 538 N 0.54 0.51 -0.89 0.49 3.08 -1.06 -0.99 114.38 116.06 3kyl h ARG 538 Ca 0.15 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.13 3kyl h ARG 538 Cb 0.08 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 3kyl h ARG 538 CO -0.02 0.56 0.57 0.00 -1.07 0.00 0.00 179.97 180.01 3kyl h ALA 539 N 1.49 1.20 -0.54 0.04 0.00 -1.07 -1.59 119.26 118.80 3kyl h ALA 539 Ca 0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3kyl h ALA 539 Cb 0.37 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kyl h ALA 539 CO 0.01 0.38 -0.12 0.74 0.00 0.00 0.00 179.25 180.27 3kyl h PHE 540 N 1.08 1.14 -0.21 0.00 -1.00 -1.14 -3.22 116.94 113.58 3kyl h PHE 540 Ca 0.37 -0.24 0.04 0.00 2.81 0.00 0.00 57.97 60.95 3kyl h PHE 540 Cb 0.07 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 3kyl h PHE 540 CO -0.02 1.06 -0.05 -0.07 -1.61 0.00 0.00 178.31 177.62 3kyl h LEU 541 N 0.91 -0.18 -0.99 1.54 3.38 -0.58 -0.56 115.31 118.83 3kyl h LEU 541 Ca 0.14 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3kyl h LEU 541 Cb 0.68 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 3kyl h LEU 541 CO 0.05 -0.06 0.65 0.00 0.09 0.00 0.00 178.44 179.17 3kyl h ALA 542 N 1.21 1.31 0.03 1.53 0.00 -1.35 -0.53 119.26 121.45 3kyl h ALA 542 Ca 0.10 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 3kyl h ALA 542 Cb 0.15 -0.36 0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kyl h ALA 542 CO -0.21 0.56 -1.06 0.28 0.00 0.00 0.00 179.25 178.82 3kyl h VAL 543 N 1.27 1.29 -0.32 0.00 2.07 -1.54 -3.28 116.25 115.74 3kyl h VAL 543 Ca 0.39 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 3kyl h VAL 543 Cb -0.03 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3kyl h VAL 543 CO -0.12 0.70 0.11 -0.07 0.02 0.00 0.00 177.57 178.22 3kyl h LEU 544 N 0.32 0.40 0.00 2.57 4.07 -0.74 -2.35 115.31 119.58 3kyl h LEU 544 Ca -0.14 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3kyl h LEU 544 Cb 1.72 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.36 3kyl h LEU 544 CO 0.21 0.39 0.00 0.29 -1.08 0.00 0.00 178.44 178.24 3kyl n LYS 545 N -4.39 0.43 0.00 1.13 5.02 -0.24 -1.82 118.16 118.28 3kyl n LYS 545 Ca 0.02 0.06 0.14 0.00 -2.02 0.00 0.00 58.31 56.50 3kyl n LYS 545 Cb 0.15 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.22 3kyl n LYS 545 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kyl n ARG 546 N -1.15 0.03 -2.62 1.97 1.74 -0.89 -3.91 116.66 111.83 3kyl n ARG 546 Ca 0.12 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 3kyl n ARG 546 Cb 0.11 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.08 3kyl n ARG 546 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kyl n ARG 547 N -1.48 1.76 -0.35 5.56 1.74 -0.76 -4.96 116.66 118.18 3kyl n ARG 547 Ca 0.07 -3.57 0.25 0.00 -0.77 0.00 0.00 57.85 53.84 3kyl n ARG 547 Cb 0.33 -1.53 0.52 0.00 -1.02 0.00 0.00 32.46 30.77 3kyl n ARG 547 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3kyl h THR 548 N 3.25 0.43 0.00 0.55 1.35 -1.68 0.17 112.91 116.99 3kyl h THR 548 Ca -0.01 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3kyl h THR 548 Cb 1.16 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3kyl h THR 548 CO 0.53 0.06 0.00 -1.84 -0.25 0.00 0.00 175.52 174.02 3kyl n GLU 549 N -4.69 0.75 0.00 4.72 0.00 -1.26 -1.88 120.64 118.27 3kyl n GLU 549 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.44 3kyl n GLU 549 Cb 0.99 -1.01 0.00 0.00 0.00 0.00 0.00 31.44 31.41 3kyl n GLU 549 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3kyl n ILE 550 N -0.51 0.00 -0.77 3.84 5.41 0.54 -4.85 119.36 123.03 3kyl n ILE 550 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.84 3kyl n ILE 550 Cb 0.00 -0.17 0.38 0.00 -0.71 0.00 0.00 39.64 39.15 3kyl n ILE 550 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3kyl n TYR 551 N -1.71 1.78 -0.21 1.39 4.02 -0.75 -4.57 117.16 117.11 3kyl n TYR 551 Ca 0.00 -0.67 0.02 0.00 -0.01 0.00 0.00 57.90 57.24 3kyl n TYR 551 Cb 0.15 -0.37 0.12 0.00 -0.02 0.00 0.00 39.34 39.22 3kyl n TYR 551 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3kyl h LYS 552 N 4.07 0.22 -0.42 -0.72 3.64 -1.61 0.68 116.57 122.44 3kyl h LYS 552 Ca 0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3kyl h LYS 552 Cb 1.72 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.47 3kyl h LYS 552 CO 0.36 0.15 -0.10 0.78 -2.27 0.00 0.00 179.45 178.37 3kyl h GLY 553 N 0.23 0.80 0.58 5.01 0.00 -1.87 -2.02 103.07 105.79 3kyl h GLY 553 Ca 0.34 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3kyl h GLY 553 CO -0.45 0.54 -0.20 -2.00 0.00 0.00 0.00 176.54 174.43 3kyl h LEU 554 N 0.67 0.27 -0.06 3.11 5.85 -1.53 -2.03 115.31 121.59 3kyl h LEU 554 Ca 0.12 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.23 3kyl h LEU 554 Cb 0.56 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3kyl h LEU 554 CO 0.03 0.86 -0.07 0.40 -0.34 0.00 0.00 178.44 179.32 3kyl h ILE 555 N -0.30 0.79 -0.98 4.05 2.04 -0.97 -1.35 117.51 120.79 3kyl h ILE 555 Ca -0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.05 3kyl h ILE 555 Cb 0.84 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 37.62 3kyl h ILE 555 CO 0.04 0.00 0.62 0.44 0.00 0.00 0.00 178.15 179.25 3kyl h ASP 556 N -0.10 0.63 0.00 1.72 3.45 -1.40 -1.24 116.42 119.48 3kyl h ASP 556 Ca 0.05 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 3kyl h ASP 556 Cb 0.17 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3kyl h ASP 556 CO -0.12 0.22 -0.00 -0.09 -1.57 0.00 0.00 179.24 177.68 3kyl h ARG 557 N 0.61 -0.00 -0.22 3.56 2.43 -0.66 -2.84 114.38 117.27 3kyl h ARG 557 Ca 0.55 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.75 3kyl h ARG 557 Cb 1.05 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3kyl h ARG 557 CO -0.30 0.40 0.02 0.82 -1.51 0.00 0.00 179.97 179.40 3kyl h ILE 558 N -0.40 0.88 -0.20 1.20 2.04 -0.69 -1.10 117.51 119.24 3kyl h ILE 558 Ca -0.00 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3kyl h ILE 558 Cb 0.40 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3kyl h ILE 558 CO 0.00 0.02 0.00 0.11 0.00 0.00 0.00 178.15 178.28 3kyl h LYS 559 N 0.10 0.29 0.00 2.37 1.57 -1.30 0.23 116.57 119.83 3kyl h LYS 559 Ca 0.10 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 3kyl h LYS 559 Cb 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3kyl h LYS 559 CO -0.15 0.32 -1.38 0.66 -0.57 0.00 0.00 179.45 178.33 3kyl h SER 560 N 0.29 0.00 0.00 0.86 4.64 -1.29 -3.40 113.55 114.64 3kyl h SER 560 Ca 0.07 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.07 3kyl h SER 560 Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 3kyl h SER 560 CO 0.00 0.56 -2.21 0.54 -0.87 0.00 0.00 176.83 174.85 3kyl n ARG 561 N -2.89 1.01 -4.01 4.77 1.74 -0.44 -5.02 116.66 111.83 3kyl n ARG 561 Ca -0.09 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 3kyl n ARG 561 Cb 0.83 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.79 3kyl n ARG 561 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3kyl s GLU 562 N -2.43 3.24 -0.10 5.56 0.41 0.05 -5.07 118.70 120.36 3kyl s GLU 562 Ca -0.14 -0.77 -0.20 0.00 -0.41 0.00 0.00 54.97 53.45 3kyl s GLU 562 Cb 0.06 -2.81 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 3kyl s GLU 562 CO 0.66 0.47 0.56 0.15 -0.49 0.00 0.00 175.26 176.61 3kyl s LYS 563 N -3.48 4.37 0.00 1.61 1.02 -1.26 -4.80 119.74 117.20 3kyl s LYS 563 Ca 0.33 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.93 3kyl s LYS 563 Cb -0.10 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 3kyl s LYS 563 CO 0.27 0.13 0.46 1.28 -0.92 0.00 0.00 175.35 176.57 3kyl n LEU 564 N 3.68 0.62 -4.70 3.17 4.77 -1.26 -4.53 117.00 118.76 3kyl n LEU 564 Ca -0.05 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 3kyl n LEU 564 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3kyl n LEU 564 CO 0.44 0.16 1.43 -0.89 -1.33 0.00 0.00 177.39 177.20 3kyl s THR 565 N -0.21 2.39 -1.19 -5.08 2.01 -1.26 -4.89 115.64 107.41 3kyl s THR 565 Ca 0.00 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 3kyl s THR 565 Cb 0.00 -3.04 0.18 0.00 0.01 0.00 0.00 72.50 69.65 3kyl s THR 565 CO 0.00 0.00 1.40 -0.32 -0.69 0.00 0.00 174.62 175.01 3kyl s MET 566 N 2.19 4.08 -0.24 4.92 1.75 -1.26 -4.97 119.30 125.78 3kyl s MET 566 Ca 0.78 -2.60 -0.04 0.00 -1.25 0.00 0.00 55.69 52.59 3kyl s MET 566 Cb -0.47 -5.02 0.01 0.00 2.84 0.00 0.00 34.83 32.18 3kyl s MET 566 CO 0.35 -1.73 -0.02 -1.59 -0.65 0.00 0.00 175.02 171.37 3kyl s LYS 567 N 1.43 3.15 -0.07 4.11 -2.85 -1.26 -4.96 119.74 119.29 3kyl s LYS 567 Ca 0.41 -0.78 0.05 0.00 -1.00 0.00 0.00 55.97 54.65 3kyl s LYS 567 Cb -0.03 -3.07 -0.01 0.00 -2.06 0.00 0.00 37.83 32.65 3kyl s LYS 567 CO -0.01 -0.31 -0.22 -0.06 0.10 0.00 0.00 175.35 174.86 3kyl s PHE 568 N 1.43 2.54 -1.98 1.78 0.08 -1.26 -4.83 117.98 115.73 3kyl s PHE 568 Ca 0.03 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.46 3kyl s PHE 568 Cb -0.16 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3kyl s PHE 568 CO -0.03 -0.15 0.64 0.72 -0.10 0.00 0.00 175.22 176.30 3kyl n HIS 569 N 2.93 0.00 -4.21 0.36 8.25 -1.26 -4.69 115.22 116.60 3kyl n HIS 569 Ca -0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.00 3kyl n HIS 569 Cb 0.52 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.54 3kyl n HIS 569 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kyl s ASP 570 N -1.34 4.54 -0.09 0.41 -1.08 -1.26 -4.85 116.67 113.00 3kyl s ASP 570 Ca 0.00 -0.38 0.20 0.00 -0.52 0.00 0.00 52.55 51.85 3kyl s ASP 570 Cb 0.00 -0.91 -0.29 0.00 -1.46 0.00 0.00 42.92 40.26 3kyl s ASP 570 CO 0.00 0.15 0.30 0.61 0.52 0.00 0.00 175.17 176.76 3kyl n GLY 571 N 0.47 -0.96 0.11 2.66 0.00 -1.26 -4.38 105.19 101.83 3kyl n GLY 571 Ca -0.12 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.63 3kyl n GLY 571 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kyl n GLU 572 N -2.43 1.15 -3.33 1.61 -0.58 -1.26 -4.81 120.64 110.99 3kyl n GLU 572 Ca -0.15 -0.22 -0.39 0.00 -0.42 0.00 0.00 57.16 55.98 3kyl n GLU 572 Cb 0.78 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.08 3kyl n GLU 572 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kyl s VAL 573 N -2.00 5.15 -0.36 2.62 0.11 -1.26 -5.02 120.40 119.63 3kyl s VAL 573 Ca 0.46 0.75 -0.24 0.00 -2.93 0.00 0.00 61.98 60.01 3kyl s VAL 573 Cb 0.22 -3.76 0.01 0.00 -1.53 0.00 0.00 36.38 31.32 3kyl s VAL 573 CO 0.36 0.17 0.82 -0.62 -3.33 0.00 0.00 175.10 172.51 3kyl s ASP 574 N 1.34 6.59 0.10 3.54 2.15 -1.26 -4.93 116.67 124.20 3kyl s ASP 574 Ca 0.19 0.43 0.22 0.00 0.43 0.00 0.00 52.55 53.83 3kyl s ASP 574 Cb -0.15 -2.42 0.90 0.00 -0.30 0.00 0.00 42.92 40.95 3kyl s ASP 574 CO 0.09 -0.76 1.70 0.00 -0.17 0.00 0.00 175.17 176.02 3kyl n ALA 575 N 6.51 1.94 0.19 3.66 0.00 -1.26 -3.46 120.51 128.10 3kyl n ALA 575 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.52 3kyl n ALA 575 Cb 0.48 -1.37 0.30 0.00 0.00 0.00 0.00 19.45 18.85 3kyl n ALA 575 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kyl h SER 576 N 0.00 0.00 0.62 0.00 4.64 -1.99 -2.83 113.55 114.00 3kyl h SER 576 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3kyl h SER 576 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3kyl h SER 576 CO 0.00 0.34 -0.11 0.22 -0.87 0.00 0.00 176.83 176.41 3kyl h TYR 577 N 0.00 0.00 -0.00 4.77 5.03 -1.93 -3.02 116.97 121.82 3kyl h TYR 577 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3kyl h TYR 577 Cb 0.97 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.25 3kyl h TYR 577 CO 0.00 0.11 -0.52 1.19 -1.32 0.00 0.00 178.16 177.63 3kyl n PHE 578 N -3.40 0.00 -1.06 -3.82 3.01 -1.07 -3.97 117.46 107.15 3kyl n PHE 578 Ca -0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 3kyl n PHE 578 Cb 0.29 -0.24 0.25 0.00 -0.01 0.00 0.00 39.48 39.77 3kyl n PHE 578 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kyl s LYS 580 N -2.90 0.76 -0.08 0.00 -2.85 -1.25 -4.99 119.74 108.43 3kyl s LYS 580 Ca 0.43 -0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 3kyl s LYS 580 Cb 0.35 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.41 3kyl s LYS 580 CO 0.08 -0.24 1.54 -1.17 0.10 0.00 0.00 175.35 175.66 3kyl s LEU 581 N -2.02 4.28 0.51 2.77 2.96 -1.26 -4.96 118.68 120.97 3kyl s LEU 581 Ca -0.06 2.08 -0.21 0.00 -0.22 0.00 0.00 54.13 55.72 3kyl s LEU 581 Cb -0.01 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 3kyl s LEU 581 CO -0.03 -0.88 1.04 -0.81 -1.32 0.00 0.00 176.35 174.35 3kyl n PRO 582 N 6.95 1.24 0.02 0.98 -0.04 -1.26 -4.84 135.00 138.05 3kyl n PRO 582 Ca 0.16 0.46 -0.06 0.00 -0.04 0.00 0.00 63.50 64.02 3kyl n PRO 582 Cb 0.43 -2.18 0.14 0.00 -0.04 0.00 0.00 33.50 31.85 3kyl n PRO 582 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kyl h GLU 583 N 1.11 0.46 0.00 0.54 4.39 -1.99 -1.01 114.58 118.08 3kyl h GLU 583 Ca -0.47 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 58.99 3kyl h GLU 583 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3kyl h GLU 583 CO 0.54 0.80 0.00 0.36 -1.16 0.00 0.00 179.01 179.55 3kyl n LYS 584 N -4.02 0.17 0.00 2.33 0.00 -1.26 -2.16 118.16 113.21 3kyl n LYS 584 Ca -0.02 0.12 0.04 0.00 -0.00 0.00 0.00 58.31 58.46 3kyl n LYS 584 Cb 0.51 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 34.05 3kyl n LYS 584 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3kyl n PHE 585 N -1.16 0.00 0.07 5.58 3.01 -0.39 -4.66 117.46 119.92 3kyl n PHE 585 Ca 0.05 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.31 3kyl n PHE 585 Cb 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.41 3kyl n PHE 585 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kyl h ARG 586 N 1.23 0.59 -0.74 -1.08 3.08 -1.42 -3.36 114.38 112.69 3kyl h ARG 586 Ca 0.00 -0.71 -0.07 0.00 0.07 0.00 0.00 59.98 59.27 3kyl h ARG 586 Cb 0.32 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3kyl h ARG 586 CO 0.00 1.30 0.09 1.19 -1.07 0.00 0.00 179.97 181.48 3kyl n PHE 587 N -3.79 1.75 -3.33 3.04 3.01 -1.26 -4.88 117.46 112.00 3kyl n PHE 587 Ca -0.11 -0.74 -0.35 0.00 1.01 0.00 0.00 57.45 57.26 3kyl n PHE 587 Cb 0.92 -0.49 -0.06 0.00 -0.01 0.00 0.00 39.48 39.85 3kyl n PHE 587 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3kyl s VAL 588 N -2.39 4.83 0.06 -4.37 -7.23 -1.26 -1.41 120.40 108.63 3kyl s VAL 588 Ca 0.42 0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 61.17 3kyl s VAL 588 Cb 0.33 -3.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 3kyl s VAL 588 CO 0.12 0.23 0.95 -0.54 -0.31 0.00 0.00 175.10 175.55 3kyl s LYS 589 N -1.97 4.63 -0.01 4.82 1.02 -0.79 -4.90 119.74 122.53 3kyl s LYS 589 Ca 0.38 1.40 0.11 0.00 0.02 0.00 0.00 55.97 57.89 3kyl s LYS 589 Cb -0.15 -3.41 -0.15 0.00 -0.52 0.00 0.00 37.83 33.60 3kyl s LYS 589 CO 0.19 0.12 0.36 0.44 -0.92 0.00 0.00 175.35 175.55 3kyl n ILE 590 N 3.21 0.00 -3.52 2.17 -5.35 -1.26 -2.93 119.36 111.68 3kyl n ILE 590 Ca 0.03 -0.25 -0.33 0.00 -0.27 0.00 0.00 62.75 61.93 3kyl n ILE 590 Cb 0.50 0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 38.95 3kyl n ILE 590 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3kyl s ASN 591 N -2.73 6.62 -0.19 7.28 0.01 -1.26 -5.06 114.94 119.61 3kyl s ASN 591 Ca -0.00 0.82 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 3kyl s ASN 591 Cb 0.08 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.57 3kyl s ASN 591 CO 0.48 0.06 -0.17 -0.60 -1.51 0.00 0.00 177.10 175.35 3kyl s ARG 592 N -2.39 3.06 -0.22 -0.60 3.52 -1.26 -5.03 118.95 116.04 3kyl s ARG 592 Ca 0.40 -0.79 -0.07 0.00 -0.13 0.00 0.00 55.73 55.14 3kyl s ARG 592 Cb -0.13 -2.65 0.10 0.00 -1.56 0.00 0.00 34.95 30.72 3kyl s ARG 592 CO 0.21 -0.20 0.46 0.21 -0.81 0.00 0.00 175.30 175.17 3kyl s LYS 593 N 1.30 0.37 -0.99 5.12 2.20 -1.26 -5.09 119.74 121.39 3kyl s LYS 593 Ca 0.05 1.09 -0.25 0.00 -0.36 0.00 0.00 55.97 56.50 3kyl s LYS 593 Cb -0.13 0.41 -0.25 0.00 -1.51 0.00 0.00 37.83 36.34 3kyl s LYS 593 CO -0.11 -0.26 2.54 0.00 -0.36 0.00 0.00 175.35 177.16 3kyl n ALA 594 N 5.40 0.54 0.08 3.13 0.00 -1.26 -4.79 120.51 123.61 3kyl n ALA 594 Ca -0.09 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 3kyl n ALA 594 Cb 0.49 -2.33 -0.09 0.00 0.00 0.00 0.00 19.45 17.53 3kyl n ALA 594 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kyl h SER 595 N 11.86 -0.16 0.00 0.00 0.02 -1.95 -3.52 113.55 119.80 3kyl h SER 595 Ca -0.03 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3kyl h SER 595 Cb 1.26 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3kyl h SER 595 CO 1.45 0.18 0.00 -0.38 -1.14 0.00 0.00 176.83 176.94