#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5e s ILE 19 N 0.00 3.15 -0.09 -1.44 1.01 -0.66 -4.90 121.20 118.28 3k5e s ILE 19 Ca 0.00 0.72 -0.21 0.00 0.00 0.00 0.00 60.65 61.15 3k5e s ILE 19 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3k5e s ILE 19 CO 0.00 0.03 0.62 -1.10 0.00 0.00 0.00 174.94 174.48 3k5e s GLN 20 N 1.84 4.40 -0.12 2.79 -0.21 -1.04 -4.54 119.66 122.77 3k5e s GLN 20 Ca 0.69 0.72 0.02 0.00 0.02 0.00 0.00 55.36 56.81 3k5e s GLN 20 Cb -0.38 -3.44 -0.00 0.00 1.00 0.00 0.00 33.01 30.18 3k5e s GLN 20 CO 0.30 0.10 -0.19 0.08 -2.12 0.00 0.00 175.29 173.46 3k5e s VAL 21 N 0.74 2.43 0.09 1.09 1.01 -1.26 -1.10 120.40 123.40 3k5e s VAL 21 Ca 0.33 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.52 3k5e s VAL 21 Cb -0.17 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3k5e s VAL 21 CO 0.15 0.54 -0.22 0.68 0.00 0.00 0.00 175.10 176.25 3k5e s VAL 22 N 0.45 1.83 -0.09 2.92 -7.23 0.02 -1.56 120.40 116.74 3k5e s VAL 22 Ca -0.14 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3k5e s VAL 22 Cb -0.17 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 3k5e s VAL 22 CO 0.06 0.04 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.09 3k5e s VAL 23 N -1.06 3.35 -0.21 1.32 1.01 -0.56 -0.23 120.40 124.03 3k5e s VAL 23 Ca 0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3k5e s VAL 23 Cb -0.10 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3k5e s VAL 23 CO 0.04 0.57 -0.11 -0.60 0.00 0.00 0.00 175.10 174.99 3k5e s ARG 24 N -0.37 2.15 -0.08 2.72 3.52 -0.04 -0.07 118.95 126.79 3k5e s ARG 24 Ca 0.04 -0.93 -0.25 0.00 -0.13 0.00 0.00 55.73 54.46 3k5e s ARG 24 Cb -0.12 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.71 3k5e s ARG 24 CO 0.02 -0.44 0.76 0.00 -0.81 0.00 0.00 175.30 174.84 3k5e s ARG 26 N 1.08 3.59 1.14 0.00 1.70 -0.46 -3.31 118.95 122.71 3k5e s ARG 26 Ca 0.40 1.22 -0.17 0.00 -0.47 0.00 0.00 55.73 56.71 3k5e s ARG 26 Cb -0.18 -2.07 0.26 0.00 -0.57 0.00 0.00 34.95 32.39 3k5e s ARG 26 CO 0.18 -0.59 1.10 -2.14 -1.08 0.00 0.00 175.30 172.78 3k5e s PRO 27 N -3.77 -0.74 0.40 3.89 0.02 -1.26 -4.20 135.00 129.34 3k5e s PRO 27 Ca 0.64 0.15 -0.24 0.00 0.02 0.00 0.00 61.00 61.57 3k5e s PRO 27 Cb -0.15 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 3k5e s PRO 27 CO 0.30 -3.44 1.03 -0.06 -0.33 0.00 0.00 177.00 174.50 3k5e s PHE 28 N -2.96 3.29 0.05 6.54 0.40 -1.26 -4.79 117.98 119.26 3k5e s PHE 28 Ca 0.69 1.65 -0.01 0.00 -0.60 0.00 0.00 56.93 58.66 3k5e s PHE 28 Cb -0.13 -3.09 0.01 0.00 0.51 0.00 0.00 43.02 40.32 3k5e s PHE 28 CO 0.57 -0.54 0.07 0.27 0.70 0.00 0.00 175.22 176.30 3k5e n ASN 29 N -0.08 0.01 -0.05 1.36 2.04 -1.26 -4.87 115.26 112.42 3k5e n ASN 29 Ca 0.05 -1.03 -0.11 0.00 -0.44 0.00 0.00 54.58 53.05 3k5e n ASN 29 Cb 0.50 -0.06 -0.05 0.00 -2.53 0.00 0.00 39.78 37.64 3k5e n ASN 29 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3k5e h LEU 30 N 0.00 0.24 -1.97 -4.53 5.85 -2.01 -3.00 115.31 109.89 3k5e h LEU 30 Ca -0.02 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3k5e h LEU 30 Cb 0.07 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3k5e h LEU 30 CO 0.02 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 3k5e h ALA 31 N 0.89 1.00 0.00 1.25 0.00 -2.02 -3.13 119.26 117.26 3k5e h ALA 31 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3k5e h ALA 31 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3k5e h ALA 31 CO -0.00 0.00 -1.77 -0.85 0.00 0.00 0.00 179.25 176.63 3k5e n GLU 32 N -2.74 2.00 -0.35 0.00 0.28 -1.23 -3.95 120.64 114.65 3k5e n GLU 32 Ca -0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.01 3k5e n GLU 32 Cb 0.13 -1.29 0.18 0.00 1.43 0.00 0.00 31.44 31.89 3k5e n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k5e h ARG 33 N 0.00 1.14 -0.46 3.44 2.47 -1.47 0.36 114.38 119.86 3k5e h ARG 33 Ca -0.30 -0.07 -0.13 0.00 -1.26 0.00 0.00 59.98 58.22 3k5e h ARG 33 Cb 1.67 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 29.72 3k5e h ARG 33 CO 0.01 0.76 -0.22 1.57 0.56 0.00 0.00 179.97 182.65 3k5e h LYS 34 N 1.18 0.95 -0.19 0.04 2.10 -1.78 -1.92 116.57 116.94 3k5e h LYS 34 Ca 0.41 -0.40 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3k5e h LYS 34 Cb 0.11 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3k5e h LYS 34 CO -0.15 1.06 0.00 0.00 -2.00 0.00 0.00 179.45 178.37 3k5e n ALA 35 N -2.51 2.11 -3.26 0.07 0.00 -0.71 -4.86 120.51 111.35 3k5e n ALA 35 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 3k5e n ALA 35 Cb 0.45 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.93 3k5e n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k5e n SER 36 N -0.30 -5.40 -4.68 0.00 7.64 -0.72 -4.89 113.62 105.27 3k5e n SER 36 Ca 0.00 -0.39 -0.45 0.00 1.01 0.00 0.00 58.87 59.05 3k5e n SER 36 Cb 0.05 -4.36 -0.03 0.00 -1.01 0.00 0.00 64.21 58.86 3k5e n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k5e n ALA 37 N -3.81 1.44 -3.60 -0.43 0.00 0.04 -4.99 120.51 109.16 3k5e n ALA 37 Ca -0.06 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 3k5e n ALA 37 Cb 0.58 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 3k5e n ALA 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3k5e s HIS 38 N 0.24 2.94 0.20 0.00 2.46 -1.26 -4.90 115.29 114.97 3k5e s HIS 38 Ca 0.71 -1.09 -0.31 0.00 0.47 0.00 0.00 55.06 54.83 3k5e s HIS 38 Cb -0.63 -2.08 -0.10 0.00 -0.13 0.00 0.00 32.58 29.64 3k5e s HIS 38 CO 0.46 -0.60 1.52 0.45 -2.47 0.00 0.00 174.74 174.10 3k5e s SER 39 N 1.44 6.60 0.00 9.88 0.15 -1.26 -4.53 113.70 125.98 3k5e s SER 39 Ca 0.05 2.64 0.21 0.00 0.70 0.00 0.00 55.95 59.56 3k5e s SER 39 Cb -0.14 -2.61 0.97 0.00 -1.71 0.00 0.00 66.02 62.54 3k5e s SER 39 CO -0.05 -0.78 1.67 2.30 1.20 0.00 0.00 173.24 177.57 3k5e n ILE 40 N 3.31 0.10 -4.13 6.45 -5.35 -0.45 -4.84 119.36 114.45 3k5e n ILE 40 Ca 0.11 -0.20 -0.32 0.00 -0.27 0.00 0.00 62.75 62.07 3k5e n ILE 40 Cb 0.39 0.10 -0.16 0.00 -1.74 0.00 0.00 39.64 38.23 3k5e n ILE 40 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3k5e s VAL 41 N -1.90 1.88 -0.11 7.28 1.01 -1.26 -1.16 120.40 126.15 3k5e s VAL 41 Ca 0.32 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3k5e s VAL 41 Cb 0.16 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3k5e s VAL 41 CO 0.26 0.51 -0.14 -1.61 0.00 0.00 0.00 175.10 174.12 3k5e s GLU 42 N 1.32 3.13 -0.14 2.72 2.02 0.25 -4.99 118.70 123.02 3k5e s GLU 42 Ca 0.04 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.32 3k5e s GLU 42 Cb -0.13 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 3k5e s GLU 42 CO -0.11 0.32 -0.13 0.00 0.02 0.00 0.00 175.26 175.35 3k5e s ASP 44 N 0.49 4.25 0.21 0.00 2.15 0.22 -4.89 116.67 119.10 3k5e s ASP 44 Ca -0.09 -3.19 -0.10 0.00 0.43 0.00 0.00 52.55 49.60 3k5e s ASP 44 Cb -0.16 -1.50 0.20 0.00 -0.30 0.00 0.00 42.92 41.16 3k5e s ASP 44 CO 0.04 -0.19 1.84 -0.65 -0.17 0.00 0.00 175.17 176.04 3k5e h PRO 45 N 6.19 0.78 -0.75 4.34 0.11 -1.79 -0.45 132.00 140.43 3k5e h PRO 45 Ca 0.01 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.13 3k5e h PRO 45 Cb 0.86 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.73 3k5e h PRO 45 CO 0.65 0.52 0.44 -0.24 -0.21 0.00 0.00 178.00 179.16 3k5e h VAL 46 N 0.80 1.00 -0.35 3.15 3.04 -1.94 0.22 116.25 122.17 3k5e h VAL 46 Ca 0.28 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 3k5e h VAL 46 Cb 0.07 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.47 3k5e h VAL 46 CO -0.13 0.15 0.00 0.54 -1.01 0.00 0.00 177.57 177.12 3k5e n ARG 47 N -4.71 2.02 -4.05 4.17 1.74 -0.86 -4.93 116.66 110.05 3k5e n ARG 47 Ca 0.10 -1.34 -0.33 0.00 -0.77 0.00 0.00 57.85 55.50 3k5e n ARG 47 Cb 0.18 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 3k5e n ARG 47 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3k5e n LYS 48 N 0.52 -3.56 -4.23 5.56 4.76 0.07 -4.89 118.16 116.38 3k5e n LYS 48 Ca 0.12 0.42 -0.19 0.00 -2.87 0.00 0.00 58.31 55.79 3k5e n LYS 48 Cb 0.37 -5.18 -0.12 0.00 -1.84 0.00 0.00 35.03 28.27 3k5e n LYS 48 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3k5e s GLU 49 N -6.74 0.86 -0.05 1.97 2.12 -0.68 -0.88 118.70 115.29 3k5e s GLU 49 Ca 0.69 -0.89 0.05 0.00 0.36 0.00 0.00 54.97 55.18 3k5e s GLU 49 Cb -0.37 -0.87 -0.00 0.00 0.26 0.00 0.00 34.13 33.15 3k5e s GLU 49 CO 0.84 0.20 -0.19 0.54 -0.54 0.00 0.00 175.26 176.12 3k5e s VAL 50 N -1.13 1.59 -0.15 3.70 0.11 -0.08 -0.61 120.40 123.83 3k5e s VAL 50 Ca -0.01 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 3k5e s VAL 50 Cb -0.09 -1.36 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 3k5e s VAL 50 CO 0.02 0.45 -0.19 -0.55 -3.33 0.00 0.00 175.10 171.50 3k5e s SER 51 N 0.06 3.32 -0.16 3.54 0.15 0.15 -1.35 113.70 119.40 3k5e s SER 51 Ca -0.06 -0.56 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 3k5e s SER 51 Cb -0.13 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 3k5e s SER 51 CO 0.03 0.08 -0.08 -0.69 1.20 0.00 0.00 173.24 173.78 3k5e s VAL 52 N 0.84 3.38 -0.59 4.45 1.01 0.10 -0.58 120.40 129.02 3k5e s VAL 52 Ca -0.06 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 3k5e s VAL 52 Cb -0.15 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.79 3k5e s VAL 52 CO -0.02 0.49 1.18 -0.60 0.00 0.00 0.00 175.10 176.15 3k5e s ARG 53 N 0.68 3.49 0.02 2.72 3.52 -0.31 0.12 118.95 129.19 3k5e s ARG 53 Ca -0.04 0.19 0.22 0.00 -0.13 0.00 0.00 55.73 55.97 3k5e s ARG 53 Cb -0.15 -4.02 -0.14 0.00 -1.56 0.00 0.00 34.95 29.08 3k5e s ARG 53 CO 0.02 -1.69 0.83 0.25 -0.81 0.00 0.00 175.30 173.90 3k5e n THR 54 N 6.63 0.10 -0.02 4.11 -2.24 -0.37 -4.58 114.28 117.90 3k5e n THR 54 Ca 0.08 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 3k5e n THR 54 Cb 0.49 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 3k5e n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k5e n GLY 55 N 1.35 -0.51 0.53 3.38 0.00 -1.10 -4.95 105.19 103.89 3k5e n GLY 55 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3k5e n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5e n GLY 56 N 1.51 -2.65 4.62 -0.02 0.00 -1.26 -4.84 105.19 102.56 3k5e n GLY 56 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3k5e n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k5e n ASP 59 N 0.00 0.00 -3.29 1.61 2.03 -1.26 -4.78 116.55 110.86 3k5e n ASP 59 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 3k5e n ASP 59 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 3k5e n ASP 59 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3k5e s LYS 60 N 0.00 0.42 0.21 -0.67 2.20 -1.26 -5.16 119.74 115.49 3k5e s LYS 60 Ca 0.00 0.51 -0.07 0.00 -0.36 0.00 0.00 55.97 56.05 3k5e s LYS 60 Cb 0.00 -0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.10 3k5e s LYS 60 CO 0.00 -0.77 0.29 -1.54 -0.36 0.00 0.00 175.35 172.97 3k5e s SER 61 N 2.62 0.04 0.15 1.43 1.04 -1.26 -5.07 113.70 112.65 3k5e s SER 61 Ca 0.13 -1.13 0.08 0.00 0.48 0.00 0.00 55.95 55.51 3k5e s SER 61 Cb -0.14 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3k5e s SER 61 CO -0.21 -0.97 -0.10 -0.55 0.98 0.00 0.00 173.24 172.39 3k5e s SER 62 N -3.08 4.30 0.02 7.02 0.15 -1.26 -4.85 113.70 116.00 3k5e s SER 62 Ca 0.29 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.44 3k5e s SER 62 Cb 0.03 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 3k5e s SER 62 CO 0.09 0.13 -0.04 -0.13 1.20 0.00 0.00 173.24 174.49 3k5e s ARG 63 N -2.60 0.32 -0.05 5.44 0.52 -1.26 -1.24 118.95 120.09 3k5e s ARG 63 Ca 0.23 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 3k5e s ARG 63 Cb -0.10 -0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.30 3k5e s ARG 63 CO 0.15 -0.00 -0.09 0.15 0.02 0.00 0.00 175.30 175.52 3k5e s LYS 64 N -1.14 2.63 -0.04 3.54 3.01 0.32 -4.88 119.74 123.19 3k5e s LYS 64 Ca -0.10 -0.63 0.04 0.00 -1.01 0.00 0.00 55.97 54.27 3k5e s LYS 64 Cb -0.08 -2.51 -0.00 0.00 -1.01 0.00 0.00 37.83 34.23 3k5e s LYS 64 CO -0.00 0.64 -0.16 0.99 0.51 0.00 0.00 175.35 177.33 3k5e s THR 65 N -0.82 1.32 -0.02 2.17 2.01 -1.26 0.01 115.64 119.05 3k5e s THR 65 Ca 0.13 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3k5e s THR 65 Cb -0.11 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.28 3k5e s THR 65 CO 0.02 0.38 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.98 3k5e s TYR 66 N -0.01 0.51 -0.17 4.92 1.51 -0.46 -5.01 117.35 118.64 3k5e s TYR 66 Ca -0.02 -0.10 -0.06 0.00 -1.01 0.00 0.00 57.07 55.88 3k5e s TYR 66 Cb -0.10 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 3k5e s TYR 66 CO 0.01 -0.06 0.04 0.99 -1.11 0.00 0.00 175.55 175.42 3k5e s THR 67 N 0.24 4.57 0.42 -0.71 2.01 -1.26 -0.91 115.64 120.00 3k5e s THR 67 Ca -0.02 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.86 3k5e s THR 67 Cb -0.06 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.41 3k5e s THR 67 CO -0.00 0.48 0.00 0.49 -0.69 0.00 0.00 174.62 174.90 3k5e n PHE 68 N 3.46 0.97 0.03 4.92 3.01 -0.06 -5.01 117.46 124.78 3k5e n PHE 68 Ca -0.17 -2.08 -0.13 0.00 1.01 0.00 0.00 57.45 56.08 3k5e n PHE 68 Cb 0.52 -0.28 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 3k5e n PHE 68 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3k5e h ASP 69 N 1.01 0.63 -4.59 4.37 5.19 -1.55 -3.44 116.42 118.03 3k5e h ASP 69 Ca -0.35 -0.42 -0.12 0.00 -0.62 0.00 0.00 57.03 55.51 3k5e h ASP 69 Cb 1.06 -0.19 -0.22 0.00 0.18 0.00 0.00 39.33 40.17 3k5e h ASP 69 CO 0.58 1.19 -0.27 -0.04 -3.12 0.00 0.00 179.24 177.58 3k5e s MET 70 N -3.61 0.59 -0.02 3.56 -1.94 -1.19 -4.96 119.30 111.73 3k5e s MET 70 Ca -0.07 0.06 0.02 0.00 -1.71 0.00 0.00 55.69 54.00 3k5e s MET 70 Cb 0.10 0.27 -0.00 0.00 2.01 0.00 0.00 34.83 37.20 3k5e s MET 70 CO 0.86 -0.14 -0.09 0.14 -0.01 0.00 0.00 175.02 175.79 3k5e s VAL 71 N -0.79 0.71 -0.15 -6.03 -7.23 -1.26 -1.49 120.40 104.17 3k5e s VAL 71 Ca -0.09 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 3k5e s VAL 71 Cb -0.04 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 36.31 3k5e s VAL 71 CO 0.03 0.22 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.58 3k5e s PHE 72 N 0.02 1.91 0.33 2.82 0.08 0.90 -4.43 117.98 119.62 3k5e s PHE 72 Ca -0.00 -1.10 -0.06 0.00 0.12 0.00 0.00 56.93 55.90 3k5e s PHE 72 Cb -0.06 -1.44 0.08 0.00 -0.57 0.00 0.00 43.02 41.03 3k5e s PHE 72 CO 0.00 -0.62 0.39 0.41 -0.10 0.00 0.00 175.22 175.29 3k5e n GLY 73 N 4.83 -1.68 0.28 4.36 0.00 -1.26 -0.93 105.19 110.79 3k5e n GLY 73 Ca -0.14 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.38 3k5e n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k5e h ALA 74 N -2.03 1.74 0.00 4.61 0.00 -1.83 -2.78 119.26 118.97 3k5e h ALA 74 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k5e h ALA 74 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k5e h ALA 74 CO 0.09 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 3k5e n SER 75 N -4.17 0.17 -4.71 0.00 3.41 -1.26 -4.33 113.62 102.73 3k5e n SER 75 Ca -0.03 0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 58.68 3k5e n SER 75 Cb 0.09 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 3k5e n SER 75 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3k5e s THR 76 N -3.04 2.76 0.40 6.66 2.01 -1.05 -5.03 115.64 118.35 3k5e s THR 76 Ca 0.11 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.62 3k5e s THR 76 Cb 0.15 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.36 3k5e s THR 76 CO 0.46 0.03 0.57 -0.54 -0.69 0.00 0.00 174.62 174.45 3k5e s LYS 77 N 1.59 3.02 0.34 4.92 -0.14 -1.26 -5.00 119.74 123.20 3k5e s LYS 77 Ca 0.71 -0.86 0.06 0.00 -1.36 0.00 0.00 55.97 54.52 3k5e s LYS 77 Cb -0.42 -2.71 0.72 0.00 -1.68 0.00 0.00 37.83 33.74 3k5e s LYS 77 CO 0.31 -0.14 1.89 1.96 -0.76 0.00 0.00 175.35 178.62 3k5e h GLN 78 N 0.65 0.78 -0.23 1.68 1.08 -1.88 -1.73 115.11 115.46 3k5e h GLN 78 Ca -0.45 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 56.56 3k5e h GLN 78 Cb 1.26 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 3k5e h GLN 78 CO 0.53 0.51 -0.46 0.97 -0.95 0.00 0.00 178.83 179.43 3k5e h ILE 79 N 0.80 1.31 -0.53 2.54 6.09 -1.88 -0.55 117.51 125.29 3k5e h ILE 79 Ca 0.41 -1.66 -0.01 0.00 -1.37 0.00 0.00 64.86 62.23 3k5e h ILE 79 Cb 0.50 1.63 -0.03 0.00 0.47 0.00 0.00 36.82 39.39 3k5e h ILE 79 CO -0.18 0.52 0.31 0.44 -3.07 0.00 0.00 178.15 176.17 3k5e h ASP 80 N 0.48 0.64 -0.43 2.19 3.32 -1.73 -0.55 116.42 120.33 3k5e h ASP 80 Ca 0.03 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3k5e h ASP 80 Cb 0.99 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3k5e h ASP 80 CO 0.09 0.52 0.22 0.58 -1.72 0.00 0.00 179.24 178.93 3k5e h VAL 81 N 0.70 1.17 0.60 -1.35 2.07 -1.11 -1.81 116.25 116.52 3k5e h VAL 81 Ca 0.19 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3k5e h VAL 81 Cb 0.01 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3k5e h VAL 81 CO -0.03 0.19 -0.29 0.22 0.02 0.00 0.00 177.57 177.67 3k5e h TYR 82 N 0.56 -0.75 -0.73 1.57 5.03 -0.88 -0.69 116.97 121.07 3k5e h TYR 82 Ca 0.15 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.59 3k5e h TYR 82 Cb 0.10 0.25 -0.14 0.00 1.55 0.00 0.00 36.73 38.49 3k5e h TYR 82 CO -0.01 -0.47 -0.19 0.00 -1.32 0.00 0.00 178.16 176.17 3k5e h ARG 83 N -0.84 -0.00 0.14 1.82 3.08 -1.16 0.15 114.38 117.56 3k5e h ARG 83 Ca -0.08 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.67 3k5e h ARG 83 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3k5e h ARG 83 CO 0.14 -0.00 -1.45 0.77 -1.07 0.00 0.00 179.97 178.36 3k5e h SER 84 N -0.00 0.46 0.00 7.04 0.02 -1.34 -3.38 113.55 116.34 3k5e h SER 84 Ca 0.35 -0.57 -0.31 0.00 -0.84 0.00 0.00 61.79 60.42 3k5e h SER 84 Cb 0.53 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 3k5e h SER 84 CO -0.75 1.46 -2.13 1.33 -1.14 0.00 0.00 176.83 175.61 3k5e n VAL 85 N -3.51 1.12 -0.02 2.27 0.24 -0.27 -4.74 118.33 113.42 3k5e n VAL 85 Ca -0.14 -0.38 -0.17 0.00 -2.04 0.00 0.00 64.34 61.60 3k5e n VAL 85 Cb 1.05 -1.38 -0.14 0.00 -1.47 0.00 0.00 33.84 31.90 3k5e n VAL 85 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3k5e h VAL 86 N -0.24 1.58 -0.94 3.34 2.07 -0.75 -3.26 116.25 118.06 3k5e h VAL 86 Ca -0.46 -2.42 0.11 0.00 0.82 0.00 0.00 66.70 64.74 3k5e h VAL 86 Cb 1.61 3.21 -0.08 0.00 -1.52 0.00 0.00 31.29 34.51 3k5e h VAL 86 CO -0.15 0.64 0.58 0.00 0.02 0.00 0.00 177.57 178.66 3k5e h PRO 88 N 0.93 0.51 -0.25 0.00 0.11 -1.79 -2.14 132.00 129.37 3k5e h PRO 88 Ca 0.46 -0.19 -0.19 0.00 0.11 0.00 0.00 66.00 66.19 3k5e h PRO 88 Cb 0.43 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3k5e h PRO 88 CO -0.26 0.72 -0.59 0.97 -0.21 0.00 0.00 178.00 178.63 3k5e h ILE 89 N 0.45 1.28 -0.55 4.15 2.10 -1.32 -3.01 117.51 120.61 3k5e h ILE 89 Ca 0.07 -1.79 -0.06 0.00 1.08 0.00 0.00 64.86 64.15 3k5e h ILE 89 Cb 0.67 1.72 -0.02 0.00 -1.09 0.00 0.00 36.82 38.09 3k5e h ILE 89 CO 0.05 0.58 0.09 0.25 -1.08 0.00 0.00 178.15 178.04 3k5e h LEU 90 N 0.61 0.82 -0.86 2.19 5.85 -0.72 -1.17 115.31 122.02 3k5e h LEU 90 Ca 0.00 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.65 3k5e h LEU 90 Cb 1.19 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 3k5e h LEU 90 CO 0.13 0.83 0.51 0.44 -0.34 0.00 0.00 178.44 180.01 3k5e h ASP 91 N 0.83 0.74 -0.74 1.25 3.32 -1.42 0.18 116.42 120.58 3k5e h ASP 91 Ca 0.17 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 3k5e h ASP 91 Cb 0.36 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3k5e h ASP 91 CO 0.01 0.42 0.26 -0.33 -1.72 0.00 0.00 179.24 177.87 3k5e h GLU 92 N 0.85 1.14 -0.66 3.56 5.08 -1.12 -1.66 114.58 121.76 3k5e h GLU 92 Ca 0.41 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3k5e h GLU 92 Cb 0.37 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3k5e h GLU 92 CO -0.24 0.95 0.18 0.28 -1.00 0.00 0.00 179.01 179.18 3k5e h VAL 93 N 1.09 1.25 -0.14 3.13 2.07 -0.28 -2.10 116.25 121.27 3k5e h VAL 93 Ca 0.24 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3k5e h VAL 93 Cb 0.27 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3k5e h VAL 93 CO -0.01 0.35 -0.23 0.40 0.02 0.00 0.00 177.57 178.09 3k5e h ILE 94 N 0.99 1.23 0.00 4.57 2.04 -0.44 -2.37 117.51 123.52 3k5e h ILE 94 Ca 0.21 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3k5e h ILE 94 Cb 0.32 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3k5e h ILE 94 CO -0.00 0.33 0.00 0.24 0.00 0.00 0.00 178.15 178.71 3k5e h MET 95 N 0.23 0.00 0.00 2.37 2.86 -0.66 -3.47 114.93 116.27 3k5e h MET 95 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3k5e h MET 95 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3k5e h MET 95 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 3k5e n GLY 96 N 0.13 1.65 3.93 8.32 0.00 -0.89 -4.92 105.19 113.41 3k5e n GLY 96 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3k5e n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k5e s TYR 97 N -2.00 3.51 -0.09 1.61 2.02 -0.91 -4.59 117.35 116.91 3k5e s TYR 97 Ca 0.00 0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 57.09 3k5e s TYR 97 Cb 0.00 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 3k5e s TYR 97 CO 0.00 0.04 0.22 -0.80 -1.57 0.00 0.00 175.55 173.44 3k5e s ASN 98 N -3.96 6.51 0.02 2.29 0.01 -1.26 -2.63 114.94 115.92 3k5e s ASN 98 Ca 0.42 0.62 -0.02 0.00 -0.71 0.00 0.00 52.86 53.17 3k5e s ASN 98 Cb -0.10 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 3k5e s ASN 98 CO 0.37 0.37 0.01 0.00 -1.51 0.00 0.00 177.10 176.35 3k5e s THR 100 N -1.65 0.31 -0.13 0.00 2.01 -0.65 -0.50 115.64 115.02 3k5e s THR 100 Ca -0.14 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.80 3k5e s THR 100 Cb -0.08 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.12 3k5e s THR 100 CO -0.01 0.13 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.20 3k5e s ILE 101 N 0.39 2.16 -0.07 1.82 1.01 0.19 -1.54 121.20 125.15 3k5e s ILE 101 Ca -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 3k5e s ILE 101 Cb -0.07 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3k5e s ILE 101 CO -0.01 0.55 0.15 -0.36 0.00 0.00 0.00 174.94 175.27 3k5e s PHE 102 N 0.72 3.56 -0.19 3.97 0.08 -0.26 -0.66 117.98 125.19 3k5e s PHE 102 Ca -0.09 0.45 -0.06 0.00 0.12 0.00 0.00 56.93 57.35 3k5e s PHE 102 Cb -0.16 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3k5e s PHE 102 CO 0.01 0.69 0.03 0.00 -0.10 0.00 0.00 175.22 175.84 3k5e s ALA 103 N -1.14 3.16 -0.05 5.36 0.00 -0.60 0.80 121.76 129.30 3k5e s ALA 103 Ca 0.20 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3k5e s ALA 103 Cb -0.12 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.17 3k5e s ALA 103 CO 0.10 -0.04 -0.13 -0.47 0.00 0.00 0.00 175.76 175.22 3k5e s TYR 104 N 0.79 1.44 0.00 0.00 6.14 0.03 -2.88 117.35 122.86 3k5e s TYR 104 Ca 0.02 -0.45 0.00 0.00 0.64 0.00 0.00 57.07 57.27 3k5e s TYR 104 Cb -0.14 -1.01 0.00 0.00 0.42 0.00 0.00 41.96 41.23 3k5e s TYR 104 CO 0.02 -0.20 0.00 0.41 0.64 0.00 0.00 175.55 176.42 3k5e n GLY 105 N 3.46 0.36 3.77 8.97 0.00 -1.26 -0.28 105.19 120.20 3k5e n GLY 105 Ca -0.20 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3k5e n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k5e s GLN 106 N -2.00 4.11 0.11 1.61 0.74 -1.26 -1.48 119.66 121.49 3k5e s GLN 106 Ca 0.00 2.57 -0.35 0.00 0.05 0.00 0.00 55.36 57.64 3k5e s GLN 106 Cb 0.00 -2.99 -0.17 0.00 1.10 0.00 0.00 33.01 30.95 3k5e s GLN 106 CO 0.00 -0.57 1.07 2.41 -0.55 0.00 0.00 175.29 177.65 3k5e n THR 107 N 1.06 0.65 -0.17 -0.34 -1.04 -1.26 -1.97 114.28 111.22 3k5e n THR 107 Ca 0.03 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3k5e n THR 107 Cb 0.39 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3k5e n THR 107 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k5e n GLY 108 N 1.93 0.72 0.00 3.41 0.00 -1.26 -4.97 105.19 105.02 3k5e n GLY 108 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3k5e n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k5e n THR 109 N -2.07 0.00 0.00 2.61 -2.24 -0.83 -4.96 114.28 106.79 3k5e n THR 109 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3k5e n THR 109 Cb 0.00 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3k5e n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k5e n GLY 110 N 1.40 1.72 0.05 3.38 0.00 -1.26 -4.22 105.19 106.26 3k5e n GLY 110 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3k5e n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5e h LYS 111 N 0.16 -0.01 -0.21 1.61 1.57 -1.94 0.14 116.57 117.89 3k5e h LYS 111 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3k5e h LYS 111 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3k5e h LYS 111 CO 0.00 0.14 -0.67 1.15 -0.57 0.00 0.00 179.45 179.50 3k5e h THR 112 N -0.15 1.28 -0.43 -0.16 2.02 -1.96 -1.71 112.91 111.80 3k5e h THR 112 Ca -0.00 -1.86 0.06 0.00 0.77 0.00 0.00 66.41 65.38 3k5e h THR 112 Cb 0.15 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 3k5e h THR 112 CO 0.00 0.60 0.10 0.15 0.37 0.00 0.00 175.52 176.74 3k5e h PHE 113 N 0.59 0.17 0.25 3.16 3.57 -1.85 0.20 116.94 123.04 3k5e h PHE 113 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3k5e h PHE 113 Cb 1.28 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3k5e h PHE 113 CO 0.08 0.03 -0.12 1.15 -2.23 0.00 0.00 178.31 177.22 3k5e h THR 114 N 0.24 0.76 -0.00 4.41 2.02 -0.71 -1.37 112.91 118.26 3k5e h THR 114 Ca 0.21 -0.07 -0.20 0.00 0.77 0.00 0.00 66.41 67.11 3k5e h THR 114 Cb 0.24 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3k5e h THR 114 CO -0.26 0.02 -0.87 0.24 0.37 0.00 0.00 175.52 175.02 3k5e h MET 115 N -0.38 0.22 0.00 6.66 2.86 -1.11 -1.49 114.93 121.69 3k5e h MET 115 Ca -0.03 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.27 3k5e h MET 115 Cb 0.29 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3k5e h MET 115 CO 0.06 0.96 -1.33 0.39 1.06 0.00 0.00 176.91 178.05 3k5e n GLU 116 N -3.68 0.14 -0.03 1.72 1.02 0.65 -0.45 120.64 120.02 3k5e n GLU 116 Ca -0.04 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3k5e n GLU 116 Cb 0.80 -0.99 -0.00 0.00 -0.02 0.00 0.00 31.44 31.23 3k5e n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k5e n GLY 117 N 3.03 -2.14 3.22 0.62 0.00 -0.52 -1.18 105.19 108.22 3k5e n GLY 117 Ca -0.11 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 3k5e n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5e s GLU 118 N -0.44 1.30 0.00 1.61 2.02 -0.73 -4.75 118.70 117.71 3k5e s GLU 118 Ca 0.00 -1.70 -0.20 0.00 0.02 0.00 0.00 54.97 53.10 3k5e s GLU 118 Cb 0.00 0.28 -0.06 0.00 0.10 0.00 0.00 34.13 34.46 3k5e s GLU 118 CO 0.00 -0.44 0.56 1.03 0.02 0.00 0.00 175.26 176.44 3k5e s ARG 119 N -4.03 4.26 0.27 1.61 1.81 -1.26 -3.46 118.95 118.16 3k5e s ARG 119 Ca 0.39 0.68 -0.30 0.00 -1.72 0.00 0.00 55.73 54.79 3k5e s ARG 119 Cb 0.06 -3.32 -0.11 0.00 -0.45 0.00 0.00 34.95 31.13 3k5e s ARG 119 CO 0.15 0.43 1.49 -1.12 -0.68 0.00 0.00 175.30 175.57 3k5e s SER 120 N -0.36 6.55 0.86 0.23 0.01 -1.26 -4.96 113.70 114.76 3k5e s SER 120 Ca 0.30 2.78 -0.10 0.00 1.31 0.00 0.00 55.95 60.23 3k5e s SER 120 Cb -0.18 -2.63 0.11 0.00 0.21 0.00 0.00 66.02 63.53 3k5e s SER 120 CO 0.17 -0.78 1.12 -2.16 0.41 0.00 0.00 173.24 172.00 3k5e s PRO 121 N -0.53 1.52 -1.39 12.44 0.04 -1.26 -3.96 135.00 141.86 3k5e s PRO 121 Ca 0.60 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 3k5e s PRO 121 Cb -0.44 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3k5e s PRO 121 CO 0.46 -2.23 0.06 -1.71 0.04 0.00 0.00 177.00 173.61 3k5e n ASN 122 N -3.95 -4.92 -3.75 6.66 5.15 -1.26 -3.00 115.26 110.20 3k5e n ASN 122 Ca 0.11 -0.04 -0.29 0.00 -0.60 0.00 0.00 54.58 53.76 3k5e n ASN 122 Cb 0.52 -4.00 -0.01 0.00 -0.53 0.00 0.00 39.78 35.77 3k5e n ASN 122 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k5e n GLU 123 N -2.67 -3.35 -0.20 1.20 1.02 -1.25 -4.84 120.64 110.55 3k5e n GLU 123 Ca -0.18 0.41 -0.03 0.00 -0.02 0.00 0.00 57.16 57.34 3k5e n GLU 123 Cb 0.64 -5.14 0.17 0.00 -0.02 0.00 0.00 31.44 27.09 3k5e n GLU 123 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3k5e h GLU 124 N -1.21 0.97 -5.67 3.49 4.81 -1.70 -3.44 114.58 111.83 3k5e h GLU 124 Ca -0.49 -0.16 -0.47 0.00 -0.13 0.00 0.00 59.36 58.11 3k5e h GLU 124 Cb 1.32 -0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 3k5e h GLU 124 CO 0.63 0.79 -0.76 0.71 -0.73 0.00 0.00 179.01 179.66 3k5e s TYR 125 N -5.45 1.67 0.74 0.92 1.51 -1.26 -5.12 117.35 110.37 3k5e s TYR 125 Ca -0.11 -0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 55.31 3k5e s TYR 125 Cb 0.16 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 41.23 3k5e s TYR 125 CO 0.81 0.29 1.08 0.95 -1.11 0.00 0.00 175.55 177.57 3k5e s THR 126 N -2.43 3.59 0.33 -0.71 -4.23 -1.26 -4.86 115.64 106.06 3k5e s THR 126 Ca 0.17 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 3k5e s THR 126 Cb -0.04 -3.23 0.25 0.00 1.34 0.00 0.00 72.50 70.83 3k5e s THR 126 CO 0.06 -0.67 1.98 4.11 -0.54 0.00 0.00 174.62 179.55 3k5e h TRP 127 N -0.91 0.88 -0.00 3.99 5.08 -2.01 -1.59 115.95 121.40 3k5e h TRP 127 Ca -0.45 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.53 3k5e h TRP 127 Cb 1.23 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 3k5e h TRP 127 CO 0.56 0.57 -0.06 -0.85 -1.28 0.00 0.00 178.44 177.38 3k5e n GLU 128 N -4.41 0.43 0.00 0.12 0.28 -1.26 -3.37 120.64 112.43 3k5e n GLU 128 Ca 0.07 -0.07 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 3k5e n GLU 128 Cb 0.05 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.42 3k5e n GLU 128 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3k5e n GLU 129 N -1.22 3.20 -1.64 3.44 1.02 -1.05 -5.03 120.64 119.35 3k5e n GLU 129 Ca 0.13 -0.31 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 3k5e n GLU 129 Cb 0.27 -0.84 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 3k5e n GLU 129 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k5e n ASP 130 N -0.53 3.90 0.30 1.62 4.64 -0.62 -4.86 116.55 120.99 3k5e n ASP 130 Ca 0.01 0.69 0.20 0.00 -1.38 0.00 0.00 54.79 54.31 3k5e n ASP 130 Cb 0.07 -1.54 1.05 0.00 -1.04 0.00 0.00 41.12 39.67 3k5e n ASP 130 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3k5e h PRO 131 N 11.98 0.00 -0.01 -0.67 0.11 -1.92 -1.84 132.00 139.64 3k5e h PRO 131 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3k5e h PRO 131 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k5e h PRO 131 CO 0.95 0.00 -0.20 1.28 -0.21 0.00 0.00 178.00 179.82 3k5e n LEU 132 N -2.92 1.41 -4.70 2.35 4.77 -1.26 -4.40 117.00 112.26 3k5e n LEU 132 Ca -0.02 -0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.09 3k5e n LEU 132 Cb 0.09 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3k5e n LEU 132 CO 0.19 0.25 0.95 0.00 -1.33 0.00 0.00 177.39 177.44 3k5e n ALA 133 N -0.22 1.36 -2.01 -1.18 0.00 -0.69 -1.78 120.51 115.99 3k5e n ALA 133 Ca 0.14 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3k5e n ALA 133 Cb 0.38 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3k5e n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5e n GLY 134 N 1.09 1.85 0.15 0.00 0.00 -0.33 -4.76 105.19 103.19 3k5e n GLY 134 Ca 0.06 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 3k5e n GLY 134 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k5e h ILE 135 N -0.00 1.14 0.53 -0.61 2.04 -0.85 -2.88 117.51 116.89 3k5e h ILE 135 Ca 0.00 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3k5e h ILE 135 Cb 0.00 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3k5e h ILE 135 CO 0.00 0.15 -0.26 0.40 0.00 0.00 0.00 178.15 178.44 3k5e h ILE 136 N 0.34 0.47 -0.10 -0.67 2.04 -1.02 -0.69 117.51 117.89 3k5e h ILE 136 Ca 0.10 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 3k5e h ILE 136 Cb 0.10 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3k5e h ILE 136 CO -0.01 0.01 -0.41 1.55 0.00 0.00 0.00 178.15 179.29 3k5e h PRO 137 N -0.74 0.21 -0.68 2.37 0.13 -1.80 -2.67 132.00 128.82 3k5e h PRO 137 Ca -0.07 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 64.90 3k5e h PRO 137 Cb 0.56 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 3k5e h PRO 137 CO 0.12 0.59 0.22 0.00 -0.23 0.00 0.00 178.00 178.70 3k5e h ARG 138 N 0.18 1.05 -0.25 0.86 3.08 -1.38 -2.03 114.38 115.89 3k5e h ARG 138 Ca 0.02 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3k5e h ARG 138 Cb 0.80 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3k5e h ARG 138 CO 0.06 0.91 0.06 1.15 -1.07 0.00 0.00 179.97 181.08 3k5e h THR 139 N 0.99 1.21 -0.48 2.04 2.02 -0.96 -2.12 112.91 115.62 3k5e h THR 139 Ca 0.22 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.60 3k5e h THR 139 Cb 0.29 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3k5e h THR 139 CO -0.01 0.22 -0.13 -0.07 0.37 0.00 0.00 175.52 175.90 3k5e h LEU 140 N 0.23 0.95 -0.97 2.58 3.38 -1.45 -0.62 115.31 119.41 3k5e h LEU 140 Ca 0.08 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3k5e h LEU 140 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3k5e h LEU 140 CO 0.00 1.10 0.27 -0.74 0.09 0.00 0.00 178.44 179.15 3k5e h HIS 141 N 0.79 1.02 0.02 1.13 2.76 -1.36 -3.12 115.15 116.39 3k5e h HIS 141 Ca 0.12 -0.07 -0.22 0.00 -2.20 0.00 0.00 60.37 58.00 3k5e h HIS 141 Cb 0.69 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 3k5e h HIS 141 CO 0.05 0.78 -0.95 1.96 -1.30 0.00 0.00 177.93 178.47 3k5e h GLN 142 N 0.99 0.29 -0.46 5.26 1.08 -1.13 -2.49 115.11 118.65 3k5e h GLN 142 Ca 0.23 -0.33 0.07 0.00 -1.45 0.00 0.00 58.65 57.17 3k5e h GLN 142 Cb 0.20 0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 3k5e h GLN 142 CO -0.02 1.05 0.10 0.82 -0.95 0.00 0.00 178.83 179.83 3k5e h ILE 143 N 0.15 0.76 -0.24 2.54 2.04 -1.05 0.48 117.51 122.19 3k5e h ILE 143 Ca -0.07 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3k5e h ILE 143 Cb 1.60 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3k5e h ILE 143 CO 0.15 0.04 -0.27 -0.26 0.00 0.00 0.00 178.15 177.82 3k5e h PHE 144 N 0.24 0.52 -0.23 1.37 0.04 -1.57 -2.18 116.94 115.14 3k5e h PHE 144 Ca 0.23 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 3k5e h PHE 144 Cb 0.29 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 3k5e h PHE 144 CO -0.21 0.70 -0.16 1.49 -0.60 0.00 0.00 178.31 179.52 3k5e h GLU 145 N 0.41 0.52 -0.18 1.51 4.57 -0.92 -2.51 114.58 117.98 3k5e h GLU 145 Ca 0.06 -0.25 -0.13 0.00 -1.18 0.00 0.00 59.36 57.86 3k5e h GLU 145 Cb 0.69 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3k5e h GLU 145 CO 0.05 0.82 -0.43 0.87 -1.18 0.00 0.00 179.01 179.14 3k5e h LYS 146 N 0.23 0.42 0.00 1.92 1.57 0.03 -3.09 116.57 117.65 3k5e h LYS 146 Ca 0.05 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3k5e h LYS 146 Cb 0.69 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3k5e h LYS 146 CO 0.04 0.78 -1.17 1.28 -0.57 0.00 0.00 179.45 179.81 3k5e n LEU 147 N -4.01 0.70 0.06 2.94 4.77 -0.83 -3.88 117.00 116.75 3k5e n LEU 147 Ca -0.02 -0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 55.43 3k5e n LEU 147 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 3k5e n LEU 147 CO 0.44 0.17 -0.30 0.74 -1.33 0.00 0.00 177.39 177.12 3k5e h THR 148 N 0.00 1.19 0.81 -5.08 2.02 -1.55 -3.29 112.91 107.01 3k5e h THR 148 Ca 0.00 -2.85 -0.04 0.00 0.77 0.00 0.00 66.41 64.29 3k5e h THR 148 Cb 0.58 2.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.73 3k5e h THR 148 CO 0.00 0.81 -0.48 0.44 0.37 0.00 0.00 175.52 176.66 3k5e h ASP 149 N 0.06 -1.21 -1.44 4.18 3.32 -1.67 -3.44 116.42 116.20 3k5e h ASP 149 Ca -0.22 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3k5e h ASP 149 Cb 1.99 0.35 0.00 0.00 0.22 0.00 0.00 39.33 41.89 3k5e h ASP 149 CO 0.15 -0.75 0.00 -0.46 -1.72 0.00 0.00 179.24 176.46 3k5e n ASN 150 N -5.53 -0.09 -4.35 6.45 6.94 -1.25 -4.99 115.26 112.43 3k5e n ASN 150 Ca -0.15 -0.70 -0.46 0.00 -0.02 0.00 0.00 54.58 53.25 3k5e n ASN 150 Cb 0.50 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 3k5e n ASN 150 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3k5e s GLY 151 N -2.44 2.78 -0.05 4.83 0.00 -1.26 -4.92 107.32 106.26 3k5e s GLY 151 Ca 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 44.72 41.25 3k5e s GLY 151 CO 0.00 1.40 0.03 -1.59 0.00 0.00 0.00 173.10 172.94 3k5e s THR 152 N -0.02 0.10 -0.24 0.90 2.01 -1.24 -2.42 115.64 114.74 3k5e s THR 152 Ca 0.25 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 3k5e s THR 152 Cb -0.09 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 3k5e s THR 152 CO -0.08 0.19 0.80 -1.61 -0.69 0.00 0.00 174.62 173.23 3k5e s GLU 153 N 1.84 4.19 0.13 4.92 2.02 -1.05 -4.73 118.70 126.00 3k5e s GLU 153 Ca 0.01 0.90 0.00 0.00 0.02 0.00 0.00 54.97 55.91 3k5e s GLU 153 Cb -0.12 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 3k5e s GLU 153 CO -0.03 -0.48 0.00 -0.59 0.02 0.00 0.00 175.26 174.17 3k5e s PHE 154 N 2.73 0.93 0.00 1.61 -0.12 -1.26 0.24 117.98 122.10 3k5e s PHE 154 Ca 0.34 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 3k5e s PHE 154 Cb -0.15 -0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 41.69 3k5e s PHE 154 CO 0.08 -0.33 -0.00 -1.54 -0.05 0.00 0.00 175.22 173.38 3k5e s SER 155 N -3.07 0.02 -0.13 1.98 1.04 0.29 -4.96 113.70 108.87 3k5e s SER 155 Ca 0.19 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.58 3k5e s SER 155 Cb 0.07 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 3k5e s SER 155 CO -0.01 -0.02 -0.14 -0.69 0.98 0.00 0.00 173.24 173.36 3k5e s VAL 156 N -0.12 2.94 -0.07 5.02 1.01 -1.26 -0.80 120.40 127.12 3k5e s VAL 156 Ca -0.01 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3k5e s VAL 156 Cb -0.01 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 3k5e s VAL 156 CO -0.00 0.52 -0.24 -0.54 0.00 0.00 0.00 175.10 174.85 3k5e s LYS 157 N 0.43 2.58 0.07 2.72 1.02 -0.03 0.28 119.74 126.81 3k5e s LYS 157 Ca -0.11 -0.86 0.08 0.00 0.02 0.00 0.00 55.97 55.10 3k5e s LYS 157 Cb -0.16 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3k5e s LYS 157 CO 0.05 0.31 -0.22 0.14 -0.92 0.00 0.00 175.35 174.72 3k5e s VAL 158 N -0.00 1.75 0.01 3.17 -7.23 -0.09 -0.66 120.40 117.35 3k5e s VAL 158 Ca -0.08 -1.36 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 3k5e s VAL 158 Cb -0.15 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 3k5e s VAL 158 CO 0.05 0.12 0.04 -0.55 -0.31 0.00 0.00 175.10 174.45 3k5e s SER 159 N -1.48 0.14 -0.26 4.85 0.15 -0.50 -0.97 113.70 115.62 3k5e s SER 159 Ca 0.08 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 3k5e s SER 159 Cb -0.09 0.14 0.08 0.00 -1.71 0.00 0.00 66.02 64.44 3k5e s SER 159 CO 0.03 -0.30 0.04 -0.22 1.20 0.00 0.00 173.24 173.99 3k5e s LEU 160 N -1.29 2.29 -0.14 3.45 2.96 -1.26 -0.76 118.68 123.93 3k5e s LEU 160 Ca -0.14 -1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 52.40 3k5e s LEU 160 Cb -0.08 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 3k5e s LEU 160 CO 0.00 -0.34 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.37 3k5e s LEU 161 N 1.56 2.88 -0.01 -0.68 0.20 -0.60 -1.14 118.68 120.88 3k5e s LEU 161 Ca 0.03 -0.27 0.05 0.00 0.69 0.00 0.00 54.13 54.63 3k5e s LEU 161 Cb -0.18 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 3k5e s LEU 161 CO -0.15 0.16 -0.16 -1.61 -0.29 0.00 0.00 176.35 174.31 3k5e s GLU 162 N 0.37 1.30 -0.19 1.98 2.02 -0.29 -0.44 118.70 123.45 3k5e s GLU 162 Ca -0.09 -0.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.31 3k5e s GLU 162 Cb -0.15 -1.24 -0.01 0.00 0.10 0.00 0.00 34.13 32.82 3k5e s GLU 162 CO 0.05 0.33 -0.06 0.42 0.02 0.00 0.00 175.26 176.02 3k5e s ILE 163 N -0.34 3.39 -0.02 -1.63 1.01 0.33 -0.75 121.20 123.19 3k5e s ILE 163 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3k5e s ILE 163 Cb -0.06 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.93 3k5e s ILE 163 CO -0.00 0.46 0.02 -0.47 0.00 0.00 0.00 174.94 174.94 3k5e s TYR 164 N 1.06 0.12 -1.55 3.97 6.14 -0.57 -1.51 117.35 125.02 3k5e s TYR 164 Ca 0.01 0.08 -0.12 0.00 0.64 0.00 0.00 57.07 57.68 3k5e s TYR 164 Cb -0.15 -0.29 0.09 0.00 0.42 0.00 0.00 41.96 42.03 3k5e s TYR 164 CO -0.00 -0.10 0.80 -1.71 0.64 0.00 0.00 175.55 175.18 3k5e n ASN 165 N 4.15 -3.23 -2.14 4.32 5.15 -1.26 -0.96 115.26 121.28 3k5e n ASN 165 Ca -0.27 -0.90 -0.15 0.00 -0.60 0.00 0.00 54.58 52.66 3k5e n ASN 165 Cb 0.50 -3.40 -0.02 0.00 -0.53 0.00 0.00 39.78 36.33 3k5e n ASN 165 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3k5e n GLU 166 N -4.50 -1.86 -4.40 1.20 -0.58 -1.26 -4.99 120.64 104.25 3k5e n GLU 166 Ca -0.04 0.75 -0.24 0.00 -0.42 0.00 0.00 57.16 57.22 3k5e n GLU 166 Cb 0.56 -5.27 -0.09 0.00 -0.57 0.00 0.00 31.44 26.06 3k5e n GLU 166 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k5e s GLU 167 N -4.52 1.95 -0.04 3.49 2.02 -0.13 -4.95 118.70 116.51 3k5e s GLU 167 Ca 0.00 -1.64 0.06 0.00 0.02 0.00 0.00 54.97 53.41 3k5e s GLU 167 Cb 0.00 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 3k5e s GLU 167 CO 0.00 0.32 -0.20 -0.51 0.02 0.00 0.00 175.26 174.89 3k5e s LEU 168 N -3.59 2.36 0.03 1.80 1.02 -1.26 -1.51 118.68 117.54 3k5e s LEU 168 Ca 0.31 -0.36 0.03 0.00 0.02 0.00 0.00 54.13 54.14 3k5e s LEU 168 Cb -0.05 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.70 3k5e s LEU 168 CO 0.17 0.31 -0.10 -0.36 0.02 0.00 0.00 176.35 176.39 3k5e s PHE 169 N -0.55 0.90 -0.38 0.29 0.40 0.07 -0.80 117.98 117.90 3k5e s PHE 169 Ca 0.08 -0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 3k5e s PHE 169 Cb -0.11 -0.54 0.05 0.00 0.51 0.00 0.00 43.02 42.93 3k5e s PHE 169 CO 0.01 -0.01 0.20 0.34 0.70 0.00 0.00 175.22 176.46 3k5e s ASP 170 N -1.08 5.63 -0.12 1.36 -1.08 -1.26 -1.14 116.67 118.98 3k5e s ASP 170 Ca -0.02 -1.18 0.11 0.00 -0.52 0.00 0.00 52.55 50.94 3k5e s ASP 170 Cb -0.07 -1.98 0.53 0.00 -1.46 0.00 0.00 42.92 39.93 3k5e s ASP 170 CO 0.01 -0.42 1.35 0.18 0.52 0.00 0.00 175.17 176.81 3k5e n LEU 171 N 4.94 3.82 0.00 -1.34 7.99 -0.29 -4.03 117.00 128.09 3k5e n LEU 171 Ca -0.11 -1.93 0.00 0.00 -0.01 0.00 0.00 56.01 53.95 3k5e n LEU 171 Cb 0.45 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 3k5e n LEU 171 CO 0.36 0.55 -0.17 0.18 -1.51 0.00 0.00 177.39 176.80 3k5e n LEU 172 N 0.57 0.00 -4.58 2.23 4.77 -1.26 -4.01 117.00 114.71 3k5e n LEU 172 Ca 0.18 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 3k5e n LEU 172 Cb 0.77 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 3k5e n LEU 172 CO 0.19 0.00 1.82 0.21 -1.33 0.00 0.00 177.39 178.28 3k5e s ASN 173 N -0.88 5.27 -0.17 -1.43 3.04 -1.26 -4.85 114.94 114.67 3k5e s ASN 173 Ca 0.00 1.49 0.03 0.00 0.04 0.00 0.00 52.86 54.41 3k5e s ASN 173 Cb 0.00 -2.51 0.30 0.00 -1.54 0.00 0.00 41.25 37.50 3k5e s ASN 173 CO 0.00 -2.17 1.30 -0.81 -3.04 0.00 0.00 177.10 172.38 3k5e n PRO 174 N 8.79 1.85 -0.04 0.43 -0.04 -1.26 -3.46 135.00 141.27 3k5e n PRO 174 Ca 0.30 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 3k5e n PRO 174 Cb 0.48 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3k5e n PRO 174 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3k5e n SER 175 N -0.07 0.40 -3.71 3.54 7.64 -1.26 -5.05 113.62 115.10 3k5e n SER 175 Ca 0.22 -1.30 -0.14 0.00 1.01 0.00 0.00 58.87 58.66 3k5e n SER 175 Cb 0.91 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 64.00 3k5e n SER 175 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3k5e s SER 176 N -0.32 -0.32 0.66 6.43 1.04 -1.22 -5.18 113.70 114.79 3k5e s SER 176 Ca 0.01 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.83 3k5e s SER 176 Cb 0.01 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.71 3k5e s SER 176 CO 0.00 -0.41 0.91 -0.90 0.98 0.00 0.00 173.24 173.82 3k5e n ASP 177 N 1.53 1.78 -1.12 7.02 5.68 -1.26 -4.87 116.55 125.32 3k5e n ASP 177 Ca -0.19 -2.37 0.05 0.00 -0.50 0.00 0.00 54.79 51.77 3k5e n ASP 177 Cb 0.56 -0.54 0.22 0.00 -1.14 0.00 0.00 41.12 40.22 3k5e n ASP 177 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3k5e n VAL 178 N -2.57 1.22 0.13 2.12 0.24 -1.26 -3.05 118.33 115.16 3k5e n VAL 178 Ca 0.17 -0.72 0.01 0.00 -2.04 0.00 0.00 64.34 61.76 3k5e n VAL 178 Cb 0.61 -0.13 0.03 0.00 -1.47 0.00 0.00 33.84 32.87 3k5e n VAL 178 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3k5e h SER 179 N 2.38 0.00 -3.02 -1.34 0.02 -2.00 -3.44 113.55 106.15 3k5e h SER 179 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3k5e h SER 179 Cb 1.07 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.43 3k5e h SER 179 CO 0.18 0.56 0.19 -1.61 -1.14 0.00 0.00 176.83 175.01 3k5e s GLU 180 N -2.97 3.11 0.13 3.45 2.02 -1.17 -5.04 118.70 118.23 3k5e s GLU 180 Ca 0.03 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 53.86 3k5e s GLU 180 Cb 0.08 -4.18 -0.07 0.00 0.10 0.00 0.00 34.13 30.06 3k5e s GLU 180 CO 0.75 -1.46 0.59 -0.98 0.02 0.00 0.00 175.26 174.18 3k5e s ARG 181 N 2.98 4.12 0.51 1.61 1.70 -1.26 -4.69 118.95 123.93 3k5e s ARG 181 Ca 0.16 0.66 -0.07 0.00 -0.47 0.00 0.00 55.73 56.01 3k5e s ARG 181 Cb -0.20 -3.05 -0.04 0.00 -0.57 0.00 0.00 34.95 31.09 3k5e s ARG 181 CO 0.10 0.53 0.86 -0.51 -1.08 0.00 0.00 175.30 175.20 3k5e s LEU 182 N -1.61 3.54 0.05 -1.89 1.43 0.02 -4.94 118.68 115.28 3k5e s LEU 182 Ca 0.35 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 3k5e s LEU 182 Cb -0.17 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 3k5e s LEU 182 CO 0.19 -0.64 0.11 -1.10 0.23 0.00 0.00 176.35 175.14 3k5e s GLN 183 N -4.77 3.07 0.02 1.70 -0.21 -1.25 -4.34 119.66 113.88 3k5e s GLN 183 Ca 0.50 -0.57 0.08 0.00 0.02 0.00 0.00 55.36 55.39 3k5e s GLN 183 Cb -0.10 -2.84 -0.02 0.00 1.00 0.00 0.00 33.01 31.04 3k5e s GLN 183 CO 0.46 0.60 -0.25 1.41 -2.12 0.00 0.00 175.29 175.39 3k5e s MET 184 N -2.25 1.78 0.04 2.91 1.75 -1.26 -0.97 119.30 121.29 3k5e s MET 184 Ca 0.29 -1.00 -0.00 0.00 -1.25 0.00 0.00 55.69 53.73 3k5e s MET 184 Cb -0.12 -1.86 -0.03 0.00 2.84 0.00 0.00 34.83 35.65 3k5e s MET 184 CO 0.21 0.49 -0.04 -0.06 -0.65 0.00 0.00 175.02 174.98 3k5e s PHE 185 N -0.72 0.47 0.46 4.11 0.40 0.13 -5.01 117.98 117.82 3k5e s PHE 185 Ca 0.10 -0.79 -0.24 0.00 -0.60 0.00 0.00 56.93 55.40 3k5e s PHE 185 Cb -0.10 -0.32 -0.07 0.00 0.51 0.00 0.00 43.02 43.04 3k5e s PHE 185 CO 0.01 -0.26 1.26 -0.51 0.70 0.00 0.00 175.22 176.42 3k5e s ASP 186 N -2.24 6.03 -0.38 1.36 1.11 -1.26 -0.74 116.67 120.55 3k5e s ASP 186 Ca -0.03 2.53 -0.21 0.00 0.18 0.00 0.00 52.55 55.02 3k5e s ASP 186 Cb -0.01 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.37 3k5e s ASP 186 CO -0.05 -1.03 0.67 -0.62 1.18 0.00 0.00 175.17 175.32 3k5e s ASP 187 N -1.04 6.42 0.23 0.27 3.68 -0.62 -4.57 116.67 121.03 3k5e s ASP 187 Ca 0.63 0.06 -0.07 0.00 2.13 0.00 0.00 52.55 55.30 3k5e s ASP 187 Cb -0.35 -2.34 0.20 0.00 -1.45 0.00 0.00 42.92 38.99 3k5e s ASP 187 CO 0.43 -0.67 1.85 -0.65 0.13 0.00 0.00 175.17 176.25 3k5e h PRO 188 N 8.58 1.25 0.00 4.34 0.11 -1.94 -3.37 132.00 140.97 3k5e h PRO 188 Ca -0.26 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3k5e h PRO 188 Cb 1.10 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3k5e h PRO 188 CO 0.86 0.92 0.00 2.89 -0.21 0.00 0.00 178.00 182.47 3k5e n ARG 189 N -4.33 0.00 -2.03 1.05 -4.01 -1.26 -4.66 116.66 101.42 3k5e n ARG 189 Ca 0.09 0.13 -0.41 0.00 -1.04 0.00 0.00 57.85 56.62 3k5e n ARG 189 Cb 0.11 -0.65 -0.03 0.00 -3.04 0.00 0.00 32.46 28.85 3k5e n ARG 189 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3k5e s ASN 190 N -1.54 5.72 0.51 2.89 4.22 -1.26 -4.95 114.94 120.53 3k5e s ASN 190 Ca 0.00 0.98 -0.23 0.00 -2.14 0.00 0.00 52.86 51.48 3k5e s ASN 190 Cb 0.00 -2.53 -0.07 0.00 1.28 0.00 0.00 41.25 39.94 3k5e s ASN 190 CO 0.00 -1.91 1.27 2.29 -2.04 0.00 0.00 177.10 176.71 3k5e n LYS 191 N 8.63 1.66 -0.89 3.55 2.85 -1.26 -2.66 118.16 130.04 3k5e n LYS 191 Ca 0.22 0.61 0.00 0.00 -1.05 0.00 0.00 58.31 58.09 3k5e n LYS 191 Cb 0.49 -2.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.42 3k5e n LYS 191 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3k5e n ARG 192 N -0.62 -0.97 -2.46 -1.58 1.85 -1.26 -5.01 116.66 106.61 3k5e n ARG 192 Ca 0.09 0.24 -0.24 0.00 -1.00 0.00 0.00 57.85 56.95 3k5e n ARG 192 Cb 0.43 -4.26 0.05 0.00 -1.05 0.00 0.00 32.46 27.63 3k5e n ARG 192 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3k5e s GLY 193 N -2.00 1.72 0.10 2.89 0.00 -1.09 -4.80 107.32 104.14 3k5e s GLY 193 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.70 3k5e s GLY 193 CO 0.00 -0.73 -0.11 -1.34 0.00 0.00 0.00 173.10 170.92 3k5e s VAL 194 N -2.97 0.99 -0.20 1.40 -7.23 -1.26 -1.58 120.40 109.54 3k5e s VAL 194 Ca 0.57 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3k5e s VAL 194 Cb -0.10 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.48 3k5e s VAL 194 CO 0.42 -0.54 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.90 3k5e s ILE 195 N -2.38 2.44 -0.36 -0.62 1.01 0.08 -4.76 121.20 116.60 3k5e s ILE 195 Ca 0.06 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 3k5e s ILE 195 Cb -0.03 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 3k5e s ILE 195 CO 0.00 0.43 0.43 -0.63 0.00 0.00 0.00 174.94 175.18 3k5e s ILE 196 N 1.32 5.10 -0.10 2.92 1.09 -1.26 -0.69 121.20 129.58 3k5e s ILE 196 Ca 0.04 0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.39 3k5e s ILE 196 Cb -0.14 -3.91 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 3k5e s ILE 196 CO -0.09 -0.19 1.14 -0.75 -0.10 0.00 0.00 174.94 174.95 3k5e s LYS 197 N 2.18 4.35 0.00 2.79 2.20 -0.15 -3.38 119.74 127.73 3k5e s LYS 197 Ca 0.14 1.57 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 3k5e s LYS 197 Cb -0.16 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3k5e s LYS 197 CO 0.13 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 3k5e n GLY 198 N 3.31 1.06 3.70 5.54 0.00 -1.26 -3.92 105.19 113.62 3k5e n GLY 198 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3k5e n GLY 198 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3k5e n LEU 199 N 0.00 4.08 -4.76 0.99 7.94 -1.22 -4.95 117.00 119.09 3k5e n LEU 199 Ca 0.00 1.00 -0.40 0.00 -1.11 0.00 0.00 56.01 55.51 3k5e n LEU 199 Cb 0.00 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.33 3k5e n LEU 199 CO 0.00 0.20 0.50 -1.61 -1.11 0.00 0.00 177.39 175.37 3k5e s GLU 200 N 2.36 4.56 -0.18 1.96 0.41 -1.26 -5.06 118.70 121.49 3k5e s GLU 200 Ca 0.80 1.16 -0.04 0.00 -0.41 0.00 0.00 54.97 56.48 3k5e s GLU 200 Cb -0.48 -3.31 -0.02 0.00 -1.78 0.00 0.00 34.13 28.55 3k5e s GLU 200 CO 0.36 0.44 -0.04 -1.21 -0.49 0.00 0.00 175.26 174.32 3k5e s GLU 201 N -0.67 3.54 -0.24 1.61 2.02 -1.26 -4.57 118.70 119.13 3k5e s GLU 201 Ca 0.38 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 3k5e s GLU 201 Cb -0.22 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 3k5e s GLU 201 CO 0.26 0.06 0.10 0.42 0.02 0.00 0.00 175.26 176.12 3k5e s ILE 202 N 0.83 4.67 0.28 -1.63 1.09 -0.14 -4.88 121.20 121.42 3k5e s ILE 202 Ca -0.01 -0.05 -0.29 0.00 -1.10 0.00 0.00 60.65 59.19 3k5e s ILE 202 Cb -0.15 -3.18 -0.10 0.00 -1.06 0.00 0.00 42.46 37.97 3k5e s ILE 202 CO 0.02 0.34 1.28 -0.89 -0.10 0.00 0.00 174.94 175.58 3k5e s THR 203 N 1.41 2.98 -0.40 2.92 2.01 -1.26 -0.91 115.64 122.38 3k5e s THR 203 Ca 0.06 0.92 -0.05 0.00 0.31 0.00 0.00 61.69 62.93 3k5e s THR 203 Cb -0.15 -3.59 0.09 0.00 0.01 0.00 0.00 72.50 68.87 3k5e s THR 203 CO 0.05 0.20 0.20 -0.69 -0.69 0.00 0.00 174.62 173.69 3k5e s VAL 204 N -0.77 3.57 0.16 3.82 1.01 0.14 -4.93 120.40 123.40 3k5e s VAL 204 Ca 0.51 -1.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 3k5e s VAL 204 Cb -0.38 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 3k5e s VAL 204 CO 0.47 -0.57 1.41 0.45 0.00 0.00 0.00 175.10 176.85 3k5e h HIS 205 N 8.17 0.74 -3.76 5.22 3.86 -1.95 -3.36 115.15 124.07 3k5e h HIS 205 Ca -0.17 -0.31 -0.09 0.00 -1.16 0.00 0.00 60.37 58.63 3k5e h HIS 205 Cb 1.06 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 29.32 3k5e h HIS 205 CO 0.59 1.09 -0.16 0.54 0.86 0.00 0.00 177.93 180.85 3k5e s ASN 206 N -7.00 0.04 0.49 2.45 2.20 -1.26 -5.00 114.94 106.86 3k5e s ASN 206 Ca -0.07 -1.03 0.27 0.00 -0.94 0.00 0.00 52.86 51.09 3k5e s ASN 206 Cb 0.10 0.59 1.22 0.00 -2.00 0.00 0.00 41.25 41.16 3k5e s ASN 206 CO 0.86 -1.15 1.95 0.50 -2.94 0.00 0.00 177.10 176.32 3k5e h LYS 207 N 2.26 0.00 0.00 3.55 3.11 -1.93 -2.18 116.57 121.39 3k5e h LYS 207 Ca -0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 3k5e h LYS 207 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 3k5e h LYS 207 CO 0.37 0.15 0.00 -0.25 -2.81 0.00 0.00 179.45 176.91 3k5e n ASP 208 N -3.42 0.00 -0.00 4.20 10.43 -1.26 -2.75 116.55 123.76 3k5e n ASP 208 Ca -0.01 -0.55 0.06 0.00 2.57 0.00 0.00 54.79 56.86 3k5e n ASP 208 Cb 0.33 -0.02 -0.07 0.00 1.84 0.00 0.00 41.12 43.20 3k5e n ASP 208 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3k5e n GLU 209 N -1.02 2.59 0.25 -1.24 2.13 -0.82 -4.65 120.64 117.88 3k5e n GLU 209 Ca 0.14 -0.01 -0.16 0.00 0.66 0.00 0.00 57.16 57.79 3k5e n GLU 209 Cb 0.07 -1.11 -0.08 0.00 0.27 0.00 0.00 31.44 30.59 3k5e n GLU 209 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3k5e h VAL 210 N 0.00 0.55 -0.12 6.31 2.07 -1.61 -3.25 116.25 120.20 3k5e h VAL 210 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3k5e h VAL 210 Cb 0.33 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3k5e h VAL 210 CO 0.00 0.00 0.05 0.22 0.02 0.00 0.00 177.57 177.86 3k5e h TYR 211 N -0.60 0.18 -0.93 1.57 3.20 -1.82 -1.93 116.97 116.64 3k5e h TYR 211 Ca -0.06 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.92 3k5e h TYR 211 Cb 0.46 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 3k5e h TYR 211 CO -0.05 0.25 0.60 -0.56 -1.64 0.00 0.00 178.16 176.76 3k5e h GLN 212 N 0.05 0.85 -0.30 1.82 3.07 -1.87 0.68 115.11 119.42 3k5e h GLN 212 Ca 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 3k5e h GLN 212 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 3k5e h GLN 212 CO -0.00 0.56 0.05 0.82 0.09 0.00 0.00 178.83 180.34 3k5e h ILE 213 N 0.87 1.23 -0.52 1.86 2.04 -1.41 0.24 117.51 121.83 3k5e h ILE 213 Ca 0.45 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3k5e h ILE 213 Cb 0.52 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3k5e h ILE 213 CO -0.21 0.26 0.27 -0.07 0.00 0.00 0.00 178.15 178.40 3k5e h LEU 214 N 0.31 0.40 -0.92 1.44 3.38 -0.92 -1.98 115.31 117.02 3k5e h LEU 214 Ca 0.09 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3k5e h LEU 214 Cb 0.34 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3k5e h LEU 214 CO 0.01 0.28 0.60 -0.33 0.09 0.00 0.00 178.44 179.08 3k5e h GLU 215 N 0.53 1.14 -0.74 1.13 5.08 -0.69 -1.69 114.58 119.33 3k5e h GLU 215 Ca 0.22 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3k5e h GLU 215 Cb 0.12 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3k5e h GLU 215 CO -0.15 0.75 0.25 -0.22 -1.00 0.00 0.00 179.01 178.64 3k5e h LYS 216 N 1.17 1.13 -0.71 2.33 1.63 -0.62 -0.22 116.57 121.29 3k5e h LYS 216 Ca 0.37 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3k5e h LYS 216 Cb -0.01 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 3k5e h LYS 216 CO -0.12 0.96 0.45 0.78 -3.45 0.00 0.00 179.45 178.07 3k5e h GLY 217 N 1.09 1.01 0.99 5.01 0.00 -1.02 -2.21 103.07 107.94 3k5e h GLY 217 Ca 0.24 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3k5e h GLY 217 CO -0.01 0.39 0.28 0.00 0.00 0.00 0.00 176.54 177.20 3k5e h ALA 218 N 1.24 0.75 -0.08 3.60 0.00 -0.84 -1.41 119.26 122.52 3k5e h ALA 218 Ca 0.26 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3k5e h ALA 218 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3k5e h ALA 218 CO -0.05 0.31 -0.12 0.00 0.00 0.00 0.00 179.25 179.39 3k5e h ALA 219 N 1.11 -0.07 -0.27 0.00 0.00 -0.84 -1.70 119.26 117.49 3k5e h ALA 219 Ca 0.20 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3k5e h ALA 219 Cb 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3k5e h ALA 219 CO -0.03 -0.59 0.02 0.87 0.00 0.00 0.00 179.25 179.53 3k5e h LYS 220 N -0.16 0.39 -0.61 0.00 1.57 -1.27 -2.25 116.57 114.24 3k5e h LYS 220 Ca 0.07 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3k5e h LYS 220 Cb 0.26 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3k5e h LYS 220 CO -0.18 0.41 0.23 0.00 -0.57 0.00 0.00 179.45 179.34 3k5e h ARG 221 N 0.39 0.92 -0.67 3.15 3.08 -0.99 -0.54 114.38 119.71 3k5e h ARG 221 Ca 0.09 -0.17 0.10 0.00 0.07 0.00 0.00 59.98 60.07 3k5e h ARG 221 Cb 0.22 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 3k5e h ARG 221 CO 0.00 0.79 0.28 1.15 -1.07 0.00 0.00 179.97 181.13 3k5e h THR 222 N 0.85 0.77 -0.36 2.04 2.02 -0.71 0.68 112.91 118.19 3k5e h THR 222 Ca 0.20 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 67.07 3k5e h THR 222 Cb 0.23 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3k5e h THR 222 CO -0.01 0.09 -0.38 0.71 0.37 0.00 0.00 175.52 176.29 3k5e h THR 223 N 0.48 1.28 -0.77 3.16 1.35 -1.30 -2.80 112.91 114.29 3k5e h THR 223 Ca 0.34 -1.55 0.05 0.00 -0.55 0.00 0.00 66.41 64.70 3k5e h THR 223 Cb 0.43 1.40 -0.05 0.00 -1.73 0.00 0.00 68.15 68.20 3k5e h THR 223 CO -0.32 0.51 0.47 0.00 -0.25 0.00 0.00 175.52 175.94 3k5e h ALA 224 N 0.86 1.04 -0.39 6.62 0.00 -0.32 -1.90 119.26 125.16 3k5e h ALA 224 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3k5e h ALA 224 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3k5e h ALA 224 CO 0.09 0.22 0.08 0.00 0.00 0.00 0.00 179.25 179.64 3k5e h ALA 225 N 1.36 1.40 -0.44 0.00 0.00 -0.79 0.43 119.26 121.22 3k5e h ALA 225 Ca 0.33 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3k5e h ALA 225 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k5e h ALA 225 CO -0.15 0.43 -0.18 1.79 0.00 0.00 0.00 179.25 181.14 3k5e h THR 226 N 0.57 1.27 0.00 0.00 1.35 -1.10 -3.29 112.91 111.72 3k5e h THR 226 Ca 0.13 -1.32 -0.18 0.00 -0.55 0.00 0.00 66.41 64.48 3k5e h THR 226 Cb 0.25 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 3k5e h THR 226 CO -0.00 0.45 -1.05 0.25 -0.25 0.00 0.00 175.52 174.92 3k5e h LEU 227 N 0.73 0.00 -8.28 3.87 5.85 -0.96 -3.46 115.31 113.06 3k5e h LEU 227 Ca 0.10 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.19 3k5e h LEU 227 Cb 0.74 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.45 3k5e h LEU 227 CO 0.06 0.77 -0.86 -0.04 -0.34 0.00 0.00 178.44 178.02 3k5e s MET 228 N -2.81 2.42 0.23 1.25 -1.94 0.10 -5.10 119.30 113.46 3k5e s MET 228 Ca 0.00 -0.74 -0.30 0.00 -1.71 0.00 0.00 55.69 52.94 3k5e s MET 228 Cb 0.09 -1.95 -0.10 0.00 2.01 0.00 0.00 34.83 34.88 3k5e s MET 228 CO 0.80 0.21 1.41 -0.80 -0.01 0.00 0.00 175.02 176.63 3k5e s ASN 229 N 0.23 6.72 -1.11 3.03 0.02 -1.26 -2.96 114.94 119.60 3k5e s ASN 229 Ca -0.12 2.59 -0.11 0.00 -1.02 0.00 0.00 52.86 54.21 3k5e s ASN 229 Cb -0.15 -2.62 0.10 0.00 0.02 0.00 0.00 41.25 38.60 3k5e s ASN 229 CO 0.05 -0.66 0.38 0.00 0.02 0.00 0.00 177.10 176.89 3k5e n ALA 230 N 2.51 -1.08 -0.30 0.60 0.00 -1.26 -4.84 120.51 116.14 3k5e n ALA 230 Ca 0.07 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3k5e n ALA 230 Cb 0.41 -2.07 0.30 0.00 0.00 0.00 0.00 19.45 18.09 3k5e n ALA 230 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3k5e h TYR 231 N -0.66 0.48 0.00 0.00 5.03 -1.81 -0.39 116.97 119.62 3k5e h TYR 231 Ca -0.36 0.05 -0.07 0.00 2.58 0.00 0.00 58.73 60.92 3k5e h TYR 231 Cb 1.24 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 3k5e h TYR 231 CO 0.74 -0.14 -0.35 0.66 -1.32 0.00 0.00 178.16 177.75 3k5e h SER 232 N 0.28 0.00 0.38 -2.11 4.64 -1.89 -1.28 113.55 113.57 3k5e h SER 232 Ca 0.55 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.56 3k5e h SER 232 Cb 1.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 3k5e h SER 232 CO -0.60 0.35 -1.85 -1.20 -0.87 0.00 0.00 176.83 172.66 3k5e n SER 233 N -3.66 0.80 0.00 4.97 7.64 -0.39 -4.51 113.62 118.48 3k5e n SER 233 Ca -0.01 0.33 0.11 0.00 1.01 0.00 0.00 58.87 60.31 3k5e n SER 233 Cb 0.46 0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.60 3k5e n SER 233 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3k5e n ARG 234 N -3.02 0.47 -2.35 1.43 1.74 -0.30 -0.95 116.66 113.67 3k5e n ARG 234 Ca -0.21 -0.12 -0.29 0.00 -0.77 0.00 0.00 57.85 56.46 3k5e n ARG 234 Cb 1.07 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 3k5e n ARG 234 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k5e s SER 235 N -4.14 6.26 -0.05 0.55 1.04 -0.49 -4.71 113.70 112.16 3k5e s SER 235 Ca -0.03 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.58 3k5e s SER 235 Cb 0.14 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 3k5e s SER 235 CO 0.89 -0.68 -0.22 -1.00 0.98 0.00 0.00 173.24 173.21 3k5e s HIS 236 N -2.90 2.50 -0.02 5.02 3.76 -0.57 -2.46 115.29 120.62 3k5e s HIS 236 Ca 0.50 -0.49 0.07 0.00 -0.15 0.00 0.00 55.06 54.99 3k5e s HIS 236 Cb -0.11 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.97 3k5e s HIS 236 CO 0.48 -0.06 -0.22 -1.54 -0.85 0.00 0.00 174.74 172.54 3k5e s SER 237 N -0.39 2.64 -0.29 1.40 1.04 -0.38 -0.51 113.70 117.21 3k5e s SER 237 Ca 0.03 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.08 3k5e s SER 237 Cb -0.12 -0.33 0.08 0.00 0.10 0.00 0.00 66.02 65.74 3k5e s SER 237 CO 0.02 0.27 -0.02 -0.69 0.98 0.00 0.00 173.24 173.80 3k5e s VAL 238 N -0.49 2.01 -0.35 5.02 1.01 0.42 -0.75 120.40 127.27 3k5e s VAL 238 Ca 0.08 -1.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.06 3k5e s VAL 238 Cb -0.09 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3k5e s VAL 238 CO -0.01 -0.33 0.34 0.12 0.00 0.00 0.00 175.10 175.23 3k5e s PHE 239 N 1.10 3.21 -0.13 5.22 2.19 -0.19 -1.56 117.98 127.82 3k5e s PHE 239 Ca 0.01 -0.11 -0.02 0.00 0.33 0.00 0.00 56.93 57.14 3k5e s PHE 239 Cb -0.19 -2.65 -0.03 0.00 -1.31 0.00 0.00 43.02 38.84 3k5e s PHE 239 CO -0.08 -0.45 -0.05 -1.12 1.83 0.00 0.00 175.22 175.35 3k5e s SER 240 N 1.74 4.67 -0.09 6.13 0.01 0.06 0.12 113.70 126.35 3k5e s SER 240 Ca 0.10 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.26 3k5e s SER 240 Cb -0.17 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 3k5e s SER 240 CO 0.12 0.21 -0.18 0.54 0.41 0.00 0.00 173.24 174.34 3k5e s VAL 241 N 0.11 2.65 -0.11 3.43 0.11 -0.21 -1.41 120.40 124.96 3k5e s VAL 241 Ca -0.02 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.21 3k5e s VAL 241 Cb -0.14 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.68 3k5e s VAL 241 CO 0.03 0.56 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.34 3k5e s THR 242 N 0.00 1.36 -0.25 5.04 2.01 0.16 -1.16 115.64 122.81 3k5e s THR 242 Ca -0.06 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 3k5e s THR 242 Cb -0.15 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.09 3k5e s THR 242 CO 0.05 0.42 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 3k5e s ILE 243 N 1.23 3.28 -0.25 1.82 1.01 0.09 -0.85 121.20 127.54 3k5e s ILE 243 Ca -0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 3k5e s ILE 243 Cb -0.14 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3k5e s ILE 243 CO -0.05 0.27 0.28 -1.00 0.00 0.00 0.00 174.94 174.45 3k5e s HIS 244 N 1.42 3.28 -0.04 3.97 3.76 0.02 -1.69 115.29 126.01 3k5e s HIS 244 Ca 0.03 0.33 0.04 0.00 -0.15 0.00 0.00 55.06 55.31 3k5e s HIS 244 Cb -0.16 -2.44 -0.00 0.00 1.11 0.00 0.00 32.58 31.08 3k5e s HIS 244 CO -0.03 -0.10 -0.17 -1.64 -0.85 0.00 0.00 174.74 171.95 3k5e s MET 245 N 1.62 1.74 -0.62 1.40 -1.94 -0.25 0.11 119.30 121.36 3k5e s MET 245 Ca 0.12 -0.61 0.06 0.00 -1.71 0.00 0.00 55.69 53.54 3k5e s MET 245 Cb -0.15 -1.53 0.21 0.00 2.01 0.00 0.00 34.83 35.37 3k5e s MET 245 CO 0.09 0.26 0.58 1.17 -0.01 0.00 0.00 175.02 177.11 3k5e n LYS 246 N 3.08 1.85 -2.36 2.03 4.81 0.64 -1.96 118.16 126.25 3k5e n LYS 246 Ca -0.18 -4.32 -0.42 0.00 -0.87 0.00 0.00 58.31 52.53 3k5e n LYS 246 Cb 0.53 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.43 3k5e n LYS 246 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3k5e s GLU 247 N -1.70 4.44 -0.27 1.64 2.12 -0.76 -2.53 118.70 121.64 3k5e s GLU 247 Ca 0.33 1.86 -0.02 0.00 0.36 0.00 0.00 54.97 57.49 3k5e s GLU 247 Cb 0.06 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.19 3k5e s GLU 247 CO -0.11 -0.22 -0.02 0.99 -0.54 0.00 0.00 175.26 175.36 3k5e s THR 248 N 0.62 3.05 1.15 -1.70 2.01 -1.01 -0.32 115.64 119.43 3k5e s THR 248 Ca 0.57 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 3k5e s THR 248 Cb -0.32 -2.62 0.26 0.00 0.01 0.00 0.00 72.50 69.83 3k5e s THR 248 CO 0.32 0.08 1.05 0.42 -0.69 0.00 0.00 174.62 175.80 3k5e s THR 249 N 1.32 1.87 -0.24 -0.82 -4.23 0.15 -4.69 115.64 109.00 3k5e s THR 249 Ca -0.01 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.78 3k5e s THR 249 Cb -0.18 -2.28 0.31 0.00 1.34 0.00 0.00 72.50 71.70 3k5e s THR 249 CO -0.02 0.00 1.83 0.40 -0.54 0.00 0.00 174.62 176.29 3k5e h ILE 250 N -2.47 0.00 -0.46 2.99 1.08 -1.96 -1.74 117.51 114.96 3k5e h ILE 250 Ca -0.56 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 3k5e h ILE 250 Cb 1.33 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.32 3k5e h ILE 250 CO 0.49 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 178.42 3k5e n ASP 251 N -2.62 2.65 -0.20 1.72 10.43 -1.26 -4.94 116.55 122.32 3k5e n ASP 251 Ca 0.02 -1.97 -0.03 0.00 2.57 0.00 0.00 54.79 55.38 3k5e n ASP 251 Cb 0.28 -0.31 -0.01 0.00 1.84 0.00 0.00 41.12 42.92 3k5e n ASP 251 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k5e n GLY 252 N 1.30 0.59 3.73 0.44 0.00 -0.65 -5.02 105.19 105.58 3k5e n GLY 252 Ca 0.17 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3k5e n GLY 252 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5e s GLU 253 N -1.60 4.58 -0.20 1.61 2.02 -1.26 -4.81 118.70 119.05 3k5e s GLU 253 Ca 0.00 1.65 -0.04 0.00 0.02 0.00 0.00 54.97 56.60 3k5e s GLU 253 Cb 0.00 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 3k5e s GLU 253 CO 0.00 0.03 -0.05 -1.83 0.02 0.00 0.00 175.26 173.43 3k5e s GLU 254 N 0.08 3.44 -0.16 1.61 4.04 -1.26 -0.67 118.70 125.78 3k5e s GLU 254 Ca 0.51 -0.61 -0.03 0.00 0.04 0.00 0.00 54.97 54.88 3k5e s GLU 254 Cb -0.27 -2.96 -0.02 0.00 0.02 0.00 0.00 34.13 30.89 3k5e s GLU 254 CO 0.32 -0.08 -0.05 -0.51 -1.84 0.00 0.00 175.26 173.11 3k5e s LEU 255 N 1.17 3.15 -0.37 1.83 2.01 0.57 -4.99 118.68 122.06 3k5e s LEU 255 Ca 0.02 -0.18 -0.12 0.00 0.01 0.00 0.00 54.13 53.87 3k5e s LEU 255 Cb -0.14 -1.76 0.02 0.00 0.01 0.00 0.00 46.19 44.32 3k5e s LEU 255 CO -0.01 0.15 0.22 -0.69 1.01 0.00 0.00 176.35 177.03 3k5e s VAL 256 N 0.46 4.71 0.05 -1.59 1.01 -1.26 -1.83 120.40 121.95 3k5e s VAL 256 Ca -0.04 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3k5e s VAL 256 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3k5e s VAL 256 CO 0.03 -0.21 -0.20 -0.54 0.00 0.00 0.00 175.10 174.18 3k5e s LYS 257 N 1.59 1.31 -0.12 2.72 1.02 -0.83 -5.02 119.74 120.41 3k5e s LYS 257 Ca 0.03 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 3k5e s LYS 257 Cb -0.19 -1.42 0.03 0.00 -0.52 0.00 0.00 37.83 35.73 3k5e s LYS 257 CO 0.07 0.36 -0.05 0.42 -0.92 0.00 0.00 175.35 175.23 3k5e s ILE 258 N -0.82 0.89 0.13 2.17 1.01 -1.26 -1.09 121.20 122.24 3k5e s ILE 258 Ca 0.07 -0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.51 3k5e s ILE 258 Cb -0.09 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3k5e s ILE 258 CO 0.02 0.26 -0.21 -0.83 0.00 0.00 0.00 174.94 174.18 3k5e s GLY 259 N 1.75 1.66 0.03 6.18 0.00 -0.68 -4.42 107.32 111.85 3k5e s GLY 259 Ca 0.04 -1.43 0.04 0.00 0.00 0.00 0.00 44.72 43.37 3k5e s GLY 259 CO -0.08 -1.41 -0.12 1.25 0.00 0.00 0.00 173.10 172.74 3k5e s LYS 260 N -2.22 0.81 -0.05 2.90 2.20 -1.08 -0.73 119.74 121.57 3k5e s LYS 260 Ca 0.18 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 3k5e s LYS 260 Cb -0.10 -0.78 0.02 0.00 -1.51 0.00 0.00 37.83 35.46 3k5e s LYS 260 CO 0.09 0.19 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.08 3k5e s LEU 261 N -1.09 1.03 -0.23 5.43 2.96 -0.31 -0.07 118.68 126.40 3k5e s LEU 261 Ca -0.00 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3k5e s LEU 261 Cb -0.08 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 3k5e s LEU 261 CO 0.01 -0.11 0.07 0.20 -1.32 0.00 0.00 176.35 175.19 3k5e s ASN 262 N 1.32 5.23 -0.37 3.68 0.02 0.34 -1.05 114.94 124.11 3k5e s ASN 262 Ca -0.05 -0.14 -0.07 0.00 -1.02 0.00 0.00 52.86 51.57 3k5e s ASN 262 Cb -0.13 -1.93 0.05 0.00 0.02 0.00 0.00 41.25 39.26 3k5e s ASN 262 CO -0.02 0.02 0.17 -0.76 0.02 0.00 0.00 177.10 176.52 3k5e s LEU 263 N 1.31 4.67 -0.20 0.60 1.43 0.12 -0.64 118.68 125.96 3k5e s LEU 263 Ca 0.05 -1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 51.81 3k5e s LEU 263 Cb -0.15 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3k5e s LEU 263 CO 0.03 -0.41 -0.03 -0.69 0.23 0.00 0.00 176.35 175.49 3k5e s VAL 264 N 1.41 3.68 -0.53 -1.59 1.01 0.16 -1.03 120.40 123.51 3k5e s VAL 264 Ca 0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3k5e s VAL 264 Cb -0.21 -2.66 0.13 0.00 0.00 0.00 0.00 36.38 33.65 3k5e s VAL 264 CO 0.02 0.44 0.44 -0.62 0.00 0.00 0.00 175.10 175.38 3k5e s ASP 265 N 1.08 5.94 0.69 3.32 -1.08 0.07 -1.56 116.67 125.13 3k5e s ASP 265 Ca 0.02 -1.99 -0.13 0.00 -0.52 0.00 0.00 52.55 49.93 3k5e s ASP 265 Cb -0.15 -2.09 0.01 0.00 -1.46 0.00 0.00 42.92 39.24 3k5e s ASP 265 CO 0.01 -0.73 1.08 -0.76 0.52 0.00 0.00 175.17 175.29 3k5e s LEU 266 N 1.27 3.24 0.61 -1.34 1.43 -1.14 -1.25 118.68 121.50 3k5e s LEU 266 Ca 0.06 1.80 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 3k5e s LEU 266 Cb -0.26 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.40 3k5e s LEU 266 CO -0.00 -1.60 1.16 0.00 0.23 0.00 0.00 176.35 176.14 3k5e n ALA 267 N -2.85 0.78 -1.72 4.21 0.00 -1.03 -4.85 120.51 115.04 3k5e n ALA 267 Ca 0.09 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 3k5e n ALA 267 Cb 0.53 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 3k5e n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5e n GLY 268 N 1.06 1.06 0.00 0.00 0.00 -0.13 -4.74 105.19 102.44 3k5e n GLY 268 Ca 0.14 0.43 0.15 0.00 0.00 0.00 0.00 46.02 46.75 3k5e n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k5e n SER 269 N 1.73 0.00 -4.77 1.61 3.41 -0.55 -4.82 113.62 110.23 3k5e n SER 269 Ca 0.08 -0.77 -0.36 0.00 -0.26 0.00 0.00 58.87 57.56 3k5e n SER 269 Cb 0.35 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3k5e n SER 269 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3k5e s GLU 270 N -2.15 3.32 -0.14 4.33 1.03 -1.26 -4.91 118.70 118.92 3k5e s GLU 270 Ca 0.42 1.76 -0.02 0.00 0.03 0.00 0.00 54.97 57.17 3k5e s GLU 270 Cb 0.21 -2.09 -0.02 0.00 -0.80 0.00 0.00 34.13 31.43 3k5e s GLU 270 CO 0.39 -0.91 -0.08 1.21 -1.33 0.00 0.00 175.26 174.53 3k5e s ASN 271 N -1.56 4.41 0.02 0.83 2.47 -1.26 -5.07 114.94 114.77 3k5e s ASN 271 Ca 0.72 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.77 3k5e s ASN 271 Cb -0.28 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 3k5e s ASN 271 CO 0.32 0.17 0.00 -3.20 -3.72 0.00 0.00 177.10 170.67 3k5e n ASN 287 N 3.54 -2.11 -4.85 -4.21 2.85 -1.26 -5.18 115.26 104.06 3k5e n ASN 287 Ca -0.18 1.17 -0.36 0.00 -0.11 0.00 0.00 54.58 55.10 3k5e n ASN 287 Cb 0.53 -2.33 -0.06 0.00 1.24 0.00 0.00 39.78 39.16 3k5e n ASN 287 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3k5e s ILE 288 N -0.13 4.97 -0.81 -1.44 -4.36 -1.26 -5.05 121.20 113.12 3k5e s ILE 288 Ca 0.00 0.76 -0.09 0.00 -0.26 0.00 0.00 60.65 61.06 3k5e s ILE 288 Cb 0.00 -3.72 0.21 0.00 1.25 0.00 0.00 42.46 40.20 3k5e s ILE 288 CO 0.00 0.40 0.72 0.21 0.24 0.00 0.00 174.94 176.50 3k5e s ASN 289 N -1.46 6.28 0.30 4.36 3.04 -1.26 -4.95 114.94 121.25 3k5e s ASN 289 Ca 0.31 -2.99 0.05 0.00 0.04 0.00 0.00 52.86 50.27 3k5e s ASN 289 Cb -0.16 -2.07 0.78 0.00 -1.54 0.00 0.00 41.25 38.27 3k5e s ASN 289 CO 0.17 -0.42 1.69 -0.61 -3.04 0.00 0.00 177.10 174.89 3k5e h GLN 290 N 7.18 0.38 -0.36 0.43 5.75 -1.96 0.29 115.11 126.82 3k5e h GLN 290 Ca 0.09 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.40 3k5e h GLN 290 Cb 0.96 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 3k5e h GLN 290 CO 0.78 0.25 -0.41 0.77 -2.65 0.00 0.00 178.83 177.58 3k5e h SER 291 N 0.39 0.96 -0.30 -0.69 0.02 -1.92 -0.30 113.55 111.72 3k5e h SER 291 Ca 0.59 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3k5e h SER 291 Cb 1.14 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3k5e h SER 291 CO -0.54 1.24 -0.08 0.25 -1.14 0.00 0.00 176.83 176.55 3k5e h LEU 292 N 0.73 0.59 -0.70 5.07 5.85 -1.71 -0.83 115.31 124.30 3k5e h LEU 292 Ca 0.05 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.41 3k5e h LEU 292 Cb 1.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3k5e h LEU 292 CO 0.10 0.82 0.46 -0.07 -0.34 0.00 0.00 178.44 179.41 3k5e h LEU 293 N 0.35 0.80 -0.71 2.25 3.38 -0.40 -2.78 115.31 118.21 3k5e h LEU 293 Ca 0.07 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3k5e h LEU 293 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3k5e h LEU 293 CO 0.03 0.58 -0.56 0.74 0.09 0.00 0.00 178.44 179.33 3k5e h THR 294 N 0.95 1.37 -0.17 0.22 2.02 -1.00 -2.75 112.91 113.55 3k5e h THR 294 Ca 0.26 -1.87 0.01 0.00 0.77 0.00 0.00 66.41 65.58 3k5e h THR 294 Cb -0.11 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3k5e h THR 294 CO -0.06 0.55 0.09 0.25 0.37 0.00 0.00 175.52 176.73 3k5e h LEU 295 N 0.20 0.14 -0.74 2.58 5.85 -0.88 0.12 115.31 122.58 3k5e h LEU 295 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3k5e h LEU 295 Cb 1.04 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3k5e h LEU 295 CO 0.09 0.11 0.45 1.23 -0.34 0.00 0.00 178.44 179.98 3k5e h GLY 296 N 0.19 1.09 1.52 3.75 0.00 -1.42 -1.76 103.07 106.44 3k5e h GLY 296 Ca 0.07 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 3k5e h GLY 296 CO -0.04 0.25 -0.39 3.21 0.00 0.00 0.00 176.54 179.57 3k5e h ARG 297 N 0.86 0.54 -0.73 4.80 3.08 -1.21 -1.19 114.38 120.54 3k5e h ARG 297 Ca 0.31 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3k5e h ARG 297 Cb 0.10 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3k5e h ARG 297 CO -0.14 0.84 0.34 0.28 -1.07 0.00 0.00 179.97 180.21 3k5e h VAL 298 N 0.45 1.24 -0.51 2.04 2.07 -0.49 -1.71 116.25 119.34 3k5e h VAL 298 Ca 0.04 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 3k5e h VAL 298 Cb 0.87 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3k5e h VAL 298 CO 0.07 0.29 -0.16 0.40 0.02 0.00 0.00 177.57 178.19 3k5e h ILE 299 N 1.02 1.27 -0.09 4.57 2.04 -1.10 -1.26 117.51 123.95 3k5e h ILE 299 Ca 0.25 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3k5e h ILE 299 Cb 0.14 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3k5e h ILE 299 CO -0.03 0.46 0.03 0.74 0.00 0.00 0.00 178.15 179.35 3k5e h THR 300 N 0.87 0.97 -0.58 -0.27 2.02 -1.12 0.28 112.91 115.08 3k5e h THR 300 Ca 0.12 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.30 3k5e h THR 300 Cb 0.74 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 3k5e h THR 300 CO 0.06 0.01 0.36 0.00 0.37 0.00 0.00 175.52 176.32 3k5e h ALA 301 N 1.06 0.75 0.00 6.16 0.00 -1.21 -0.47 119.26 125.55 3k5e h ALA 301 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3k5e h ALA 301 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k5e h ALA 301 CO -0.05 0.11 -0.41 -0.07 0.00 0.00 0.00 179.25 178.83 3k5e h LEU 302 N 0.72 0.00 0.14 0.00 3.38 -1.02 0.53 115.31 119.05 3k5e h LEU 302 Ca 0.23 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.88 3k5e h LEU 302 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3k5e h LEU 302 CO -0.09 0.41 -1.60 -0.37 0.09 0.00 0.00 178.44 176.88 3k5e h VAL 303 N 0.00 1.08 -0.02 1.22 -1.51 -0.66 -3.27 116.25 113.09 3k5e h VAL 303 Ca -0.00 -2.71 0.00 0.00 -1.23 0.00 0.00 66.70 62.76 3k5e h VAL 303 Cb 0.83 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.75 3k5e h VAL 303 CO 0.05 0.82 0.00 -0.62 -1.23 0.00 0.00 177.57 176.59 3k5e n GLU 304 N -3.48 1.15 -1.52 5.19 1.02 -0.21 -4.91 120.64 117.88 3k5e n GLU 304 Ca -0.19 -0.22 -0.16 0.00 -0.02 0.00 0.00 57.16 56.57 3k5e n GLU 304 Cb 1.05 -1.39 -0.07 0.00 -0.02 0.00 0.00 31.44 31.01 3k5e n GLU 304 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k5e n ARG 305 N -0.64 -1.15 -1.70 3.49 5.12 -0.69 -4.96 116.66 116.13 3k5e n ARG 305 Ca 0.18 1.07 -0.43 0.00 -1.93 0.00 0.00 57.85 56.74 3k5e n ARG 305 Cb 0.14 -5.27 -0.01 0.00 -1.16 0.00 0.00 32.46 26.16 3k5e n ARG 305 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3k5e n THR 306 N -2.59 1.74 -0.13 0.55 -1.04 0.09 -4.93 114.28 107.97 3k5e n THR 306 Ca -0.17 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.05 61.38 3k5e n THR 306 Cb 0.54 -1.58 0.20 0.00 -1.82 0.00 0.00 70.33 67.67 3k5e n THR 306 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3k5e h PRO 307 N 3.01 0.82 -4.93 -2.82 0.13 -1.93 -3.41 132.00 122.87 3k5e h PRO 307 Ca -0.46 -0.17 -0.64 0.00 -0.87 0.00 0.00 66.00 63.86 3k5e h PRO 307 Cb 1.28 -0.12 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 3k5e h PRO 307 CO 0.66 0.74 -0.44 -1.58 -0.23 0.00 0.00 178.00 177.14 3k5e s HIS 308 N -5.21 3.23 -0.25 1.56 5.65 -1.26 -5.07 115.29 113.94 3k5e s HIS 308 Ca -0.10 0.12 -0.05 0.00 0.25 0.00 0.00 55.06 55.29 3k5e s HIS 308 Cb 0.15 -2.45 -0.00 0.00 -1.18 0.00 0.00 32.58 29.10 3k5e s HIS 308 CO 0.80 -0.22 0.01 0.08 -0.65 0.00 0.00 174.74 174.76 3k5e s VAL 309 N 1.83 3.65 0.00 0.89 1.01 -1.26 -4.91 120.40 121.61 3k5e s VAL 309 Ca 0.09 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 3k5e s VAL 309 Cb -0.16 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 3k5e s VAL 309 CO 0.11 0.27 1.74 -0.81 0.00 0.00 0.00 175.10 176.42 3k5e n PRO 310 N 4.82 0.88 -0.34 2.72 -0.04 -1.26 -4.55 135.00 137.23 3k5e n PRO 310 Ca -0.16 -0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.36 3k5e n PRO 310 Cb 0.50 -1.12 0.23 0.00 -0.04 0.00 0.00 33.50 33.06 3k5e n PRO 310 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3k5e h TYR 311 N 1.60 -0.22 0.00 0.54 0.05 -1.92 -0.61 116.97 116.40 3k5e h TYR 311 Ca 0.01 0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3k5e h TYR 311 Cb 0.86 0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3k5e h TYR 311 CO 0.34 -0.42 0.00 -2.13 -1.05 0.00 0.00 178.16 174.91 3k5e n ARG 312 N -5.53 0.08 0.00 4.88 0.63 -1.26 -3.04 116.66 112.42 3k5e n ARG 312 Ca 0.20 0.39 0.12 0.00 -0.92 0.00 0.00 57.85 57.64 3k5e n ARG 312 Cb 0.65 -1.68 0.64 0.00 0.45 0.00 0.00 32.46 32.52 3k5e n ARG 312 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3k5e n GLU 313 N -1.83 0.52 -3.58 -0.14 1.02 -0.24 -4.83 120.64 111.56 3k5e n GLU 313 Ca 0.02 0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 3k5e n GLU 313 Cb 0.15 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 3k5e n GLU 313 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3k5e s SER 314 N -2.32 -0.34 0.22 1.62 1.04 -1.19 -4.87 113.70 107.86 3k5e s SER 314 Ca 0.28 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.45 3k5e s SER 314 Cb 0.16 0.50 0.28 0.00 0.10 0.00 0.00 66.02 67.06 3k5e s SER 314 CO 0.32 -0.86 1.80 0.11 0.98 0.00 0.00 173.24 175.59 3k5e h LYS 315 N 2.34 0.67 0.11 4.02 1.79 -1.88 -2.21 116.57 121.41 3k5e h LYS 315 Ca -0.34 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 3k5e h LYS 315 Cb 1.26 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3k5e h LYS 315 CO 0.44 0.44 -0.05 1.25 -1.08 0.00 0.00 179.45 180.45 3k5e h LEU 316 N 0.69 -0.12 -1.39 2.94 5.85 -1.92 -0.84 115.31 120.52 3k5e h LEU 316 Ca 0.32 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3k5e h LEU 316 Cb 0.24 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3k5e h LEU 316 CO -0.21 0.20 -0.22 0.71 -0.34 0.00 0.00 178.44 178.59 3k5e h THR 317 N -0.46 0.64 -0.16 1.05 1.35 -1.77 -0.33 112.91 113.23 3k5e h THR 317 Ca -0.02 -0.97 -0.17 0.00 -0.55 0.00 0.00 66.41 64.70 3k5e h THR 317 Cb 0.38 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3k5e h THR 317 CO 0.02 0.21 -0.57 0.03 -0.25 0.00 0.00 175.52 174.96 3k5e h ARG 318 N 0.00 0.67 -0.61 4.72 3.08 -1.28 -0.60 114.38 120.37 3k5e h ARG 318 Ca -0.00 -0.51 -0.08 0.00 0.07 0.00 0.00 59.98 59.46 3k5e h ARG 318 Cb 0.61 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3k5e h ARG 318 CO 0.03 1.13 0.05 0.82 -1.07 0.00 0.00 179.97 180.93 3k5e h ILE 319 N 0.35 1.26 -0.38 2.04 2.04 -0.62 -3.31 117.51 118.89 3k5e h ILE 319 Ca -0.03 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3k5e h ILE 319 Cb 1.20 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3k5e h ILE 319 CO 0.12 0.40 0.00 0.18 0.00 0.00 0.00 178.15 178.85 3k5e n LEU 320 N -4.24 3.09 -0.38 1.44 4.77 -0.18 -4.72 117.00 116.79 3k5e n LEU 320 Ca 0.03 -1.75 0.29 0.00 -0.03 0.00 0.00 56.01 54.56 3k5e n LEU 320 Cb 0.31 -0.25 0.56 0.00 -2.33 0.00 0.00 43.42 41.72 3k5e n LEU 320 CO 0.43 0.73 1.20 0.06 -1.33 0.00 0.00 177.39 178.48 3k5e h GLN 321 N 3.00 0.22 0.00 3.23 3.07 -1.19 1.46 115.11 124.90 3k5e h GLN 321 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 3k5e h GLN 321 Cb 0.80 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.30 3k5e h GLN 321 CO 0.00 0.15 -0.06 0.22 0.09 0.00 0.00 178.83 179.22 3k5e h ASP 322 N 0.23 0.00 0.26 0.06 3.58 -1.86 -2.11 116.42 116.58 3k5e h ASP 322 Ca 0.74 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.19 3k5e h ASP 322 Cb 2.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.09 3k5e h ASP 322 CO -0.44 0.06 -0.05 -1.20 -2.88 0.00 0.00 179.24 174.73 3k5e n SER 323 N -3.44 0.38 -3.72 2.28 7.64 0.50 -2.34 113.62 114.92 3k5e n SER 323 Ca -0.02 -0.71 -0.29 0.00 1.01 0.00 0.00 58.87 58.86 3k5e n SER 323 Cb 0.20 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 3k5e n SER 323 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k5e s LEU 324 N -2.32 3.08 -0.46 -3.43 1.43 -0.79 -4.74 118.68 111.45 3k5e s LEU 324 Ca 0.35 -3.02 -0.03 0.00 -1.03 0.00 0.00 54.13 50.40 3k5e s LEU 324 Cb 0.21 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3k5e s LEU 324 CO 0.43 -0.20 0.36 0.61 0.23 0.00 0.00 176.35 177.77 3k5e n GLY 325 N 3.02 0.43 0.00 -3.19 0.00 -1.26 -4.93 105.19 99.26 3k5e n GLY 325 Ca 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3k5e n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k5e n GLY 326 N -1.00 6.88 0.34 -0.02 0.00 -0.99 -4.86 105.19 105.54 3k5e n GLY 326 Ca -0.00 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.29 3k5e n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k5e n ARG 327 N 0.00 1.47 -2.96 1.61 1.74 -1.19 0.11 116.66 117.46 3k5e n ARG 327 Ca 0.00 -0.69 -0.40 0.00 -0.77 0.00 0.00 57.85 55.99 3k5e n ARG 327 Cb 0.00 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 3k5e n ARG 327 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3k5e s THR 328 N -1.98 4.81 -0.12 0.55 2.01 -1.11 -4.49 115.64 115.30 3k5e s THR 328 Ca 0.40 1.66 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 3k5e s THR 328 Cb 0.21 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3k5e s THR 328 CO 0.33 0.31 1.19 -0.60 -0.69 0.00 0.00 174.62 175.17 3k5e s ARG 329 N 0.25 4.30 0.11 4.92 3.52 -0.82 -4.56 118.95 126.68 3k5e s ARG 329 Ca 0.40 1.60 0.08 0.00 -0.13 0.00 0.00 55.73 57.68 3k5e s ARG 329 Cb -0.20 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 3k5e s ARG 329 CO 0.23 -0.55 -0.20 0.95 -0.81 0.00 0.00 175.30 174.92 3k5e s THR 330 N 2.80 1.65 0.04 4.11 -4.23 -1.26 -1.63 115.64 117.11 3k5e s THR 330 Ca 0.53 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.54 3k5e s THR 330 Cb -0.22 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3k5e s THR 330 CO 0.17 -0.12 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.51 3k5e s SER 331 N -2.00 2.14 -0.11 3.99 0.01 -0.59 -2.50 113.70 114.63 3k5e s SER 331 Ca 0.07 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.84 3k5e s SER 331 Cb -0.09 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 3k5e s SER 331 CO 0.04 0.10 -0.17 -0.63 0.41 0.00 0.00 173.24 173.00 3k5e s ILE 332 N -0.83 2.72 -0.37 1.44 1.01 -0.26 -1.10 121.20 123.81 3k5e s ILE 332 Ca 0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 3k5e s ILE 332 Cb -0.08 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.32 3k5e s ILE 332 CO 0.02 0.54 0.19 -0.63 0.00 0.00 0.00 174.94 175.06 3k5e s ILE 333 N 0.28 4.34 -0.23 2.92 1.01 0.24 -0.80 121.20 128.96 3k5e s ILE 333 Ca -0.12 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.32 3k5e s ILE 333 Cb -0.16 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3k5e s ILE 333 CO 0.06 -0.27 0.63 0.00 0.00 0.00 0.00 174.94 175.37 3k5e s ALA 334 N 1.50 3.59 -0.06 9.38 0.00 0.68 -0.79 121.76 136.05 3k5e s ALA 334 Ca 0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 3k5e s ALA 334 Cb -0.20 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 3k5e s ALA 334 CO 0.05 -0.71 0.27 0.95 0.00 0.00 0.00 175.76 176.32 3k5e s THR 335 N 2.27 5.28 0.07 0.00 -4.23 0.61 -0.86 115.64 118.77 3k5e s THR 335 Ca 0.27 0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 61.22 3k5e s THR 335 Cb -0.16 -3.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 3k5e s THR 335 CO 0.09 0.59 0.12 0.27 -0.54 0.00 0.00 174.62 175.16 3k5e s ILE 336 N -1.06 0.15 0.10 2.99 -4.36 -0.68 -4.26 121.20 114.08 3k5e s ILE 336 Ca 0.19 -1.28 0.05 0.00 -0.26 0.00 0.00 60.65 59.36 3k5e s ILE 336 Cb -0.14 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 3k5e s ILE 336 CO 0.09 -0.70 0.03 -0.55 0.24 0.00 0.00 174.94 174.05 3k5e s SER 337 N -2.66 5.17 0.00 4.36 0.15 -1.26 -1.35 113.70 118.11 3k5e s SER 337 Ca 0.03 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 56.80 3k5e s SER 337 Cb 0.04 -1.27 0.96 0.00 -1.71 0.00 0.00 66.02 64.03 3k5e s SER 337 CO -0.09 0.15 1.71 -0.81 1.20 0.00 0.00 173.24 175.41 3k5e n PRO 338 N 0.38 0.24 -2.31 5.44 -0.04 -1.26 -4.87 135.00 132.57 3k5e n PRO 338 Ca -0.10 -0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 62.87 3k5e n PRO 338 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 3k5e n PRO 338 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k5e s ALA 339 N -2.83 3.46 0.50 0.55 0.00 -1.26 -1.35 121.76 120.83 3k5e s ALA 339 Ca 0.18 1.05 0.24 0.00 0.00 0.00 0.00 51.96 53.42 3k5e s ALA 339 Cb 0.19 -3.41 1.46 0.00 0.00 0.00 0.00 23.12 21.36 3k5e s ALA 339 CO 0.57 -0.40 2.13 0.66 0.00 0.00 0.00 175.76 178.73 3k5e h SER 340 N 4.11 0.00 0.31 0.00 4.64 -1.92 -2.05 113.55 118.63 3k5e h SER 340 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.81 3k5e h SER 340 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3k5e h SER 340 CO 0.69 0.08 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.48 3k5e h LEU 341 N 0.00 0.00 -3.62 5.97 4.07 -1.97 -2.54 115.31 117.22 3k5e h LEU 341 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 3k5e h LEU 341 Cb 0.17 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 3k5e h LEU 341 CO 0.01 0.18 0.08 0.59 -1.08 0.00 0.00 178.44 178.21 3k5e n ASN 342 N -3.95 5.49 0.20 -0.43 3.02 -0.77 -4.69 115.26 114.13 3k5e n ASN 342 Ca -0.02 -3.02 -0.16 0.00 -0.03 0.00 0.00 54.58 51.35 3k5e n ASN 342 Cb 0.27 -0.70 -0.08 0.00 -0.61 0.00 0.00 39.78 38.65 3k5e n ASN 342 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3k5e h LEU 343 N 3.61 -1.22 -0.54 3.41 5.85 -1.52 -0.94 115.31 123.97 3k5e h LEU 343 Ca 0.07 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3k5e h LEU 343 Cb 2.08 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 43.51 3k5e h LEU 343 CO 0.56 -0.55 0.36 -0.08 -0.34 0.00 0.00 178.44 178.39 3k5e h GLU 344 N -0.79 0.71 0.00 1.25 4.81 -1.86 -0.31 114.58 118.38 3k5e h GLU 344 Ca -0.02 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3k5e h GLU 344 Cb 0.74 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3k5e h GLU 344 CO -0.14 0.47 -0.37 0.93 -0.73 0.00 0.00 179.01 179.17 3k5e h GLU 345 N 0.73 0.00 -0.20 1.92 4.39 -1.90 -1.17 114.58 118.34 3k5e h GLU 345 Ca 0.20 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.78 3k5e h GLU 345 Cb -0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3k5e h GLU 345 CO -0.05 0.37 -0.35 1.15 -1.16 0.00 0.00 179.01 178.98 3k5e h THR 346 N 0.00 1.33 -0.54 1.13 2.02 -0.38 -0.51 112.91 115.96 3k5e h THR 346 Ca -0.00 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 3k5e h THR 346 Cb 0.70 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3k5e h THR 346 CO 0.05 0.49 0.32 -0.07 0.37 0.00 0.00 175.52 176.67 3k5e h LEU 347 N 0.28 0.66 -0.09 2.58 3.38 -0.98 -1.93 115.31 119.20 3k5e h LEU 347 Ca 0.01 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3k5e h LEU 347 Cb 0.94 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3k5e h LEU 347 CO 0.08 0.53 -0.14 0.28 0.09 0.00 0.00 178.44 179.28 3k5e h SER 348 N 0.72 -0.42 -0.39 -0.43 0.02 -1.06 -0.53 113.55 111.46 3k5e h SER 348 Ca 0.19 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.28 3k5e h SER 348 Cb 0.01 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 3k5e h SER 348 CO -0.03 -0.19 0.08 0.74 -1.14 0.00 0.00 176.83 176.29 3k5e h THR 349 N -0.19 0.81 -0.19 -2.27 2.02 -1.04 -0.68 112.91 111.37 3k5e h THR 349 Ca 0.08 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3k5e h THR 349 Cb 0.30 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3k5e h THR 349 CO -0.20 0.04 0.02 -0.07 0.37 0.00 0.00 175.52 175.68 3k5e h LEU 350 N 0.21 0.31 -0.45 2.58 3.38 -1.05 0.97 115.31 121.25 3k5e h LEU 350 Ca 0.18 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3k5e h LEU 350 Cb 0.22 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3k5e h LEU 350 CO -0.24 0.51 0.19 -0.08 0.09 0.00 0.00 178.44 178.91 3k5e h GLU 351 N 0.10 0.37 0.36 1.13 4.57 -1.03 0.18 114.58 120.26 3k5e h GLU 351 Ca 0.06 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3k5e h GLU 351 Cb 0.33 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3k5e h GLU 351 CO 0.01 0.25 -0.25 -0.92 -1.18 0.00 0.00 179.01 176.91 3k5e h TYR 352 N 0.39 -0.67 -0.78 0.92 5.03 -0.78 -2.62 116.97 118.46 3k5e h TYR 352 Ca 0.21 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 3k5e h TYR 352 Cb 0.16 0.25 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 3k5e h TYR 352 CO -0.13 -0.39 0.45 0.00 -1.32 0.00 0.00 178.16 176.77 3k5e h ALA 353 N -0.02 1.32 -0.49 1.82 0.00 -0.62 -2.95 119.26 118.32 3k5e h ALA 353 Ca -0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3k5e h ALA 353 Cb 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3k5e h ALA 353 CO 0.01 0.57 -0.03 1.25 0.00 0.00 0.00 179.25 181.05 3k5e h HIS 354 N 1.09 0.96 -0.73 0.00 -0.00 -0.46 -2.45 115.15 113.56 3k5e h HIS 354 Ca 0.28 -0.18 -0.00 0.00 -0.00 0.00 0.00 60.37 60.47 3k5e h HIS 354 Cb -0.01 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.12 3k5e h HIS 354 CO 0.01 0.92 0.44 0.00 -0.00 0.00 0.00 177.93 179.30 3k5e h ARG 355 N 0.73 0.98 -0.09 5.26 3.08 -1.41 -2.57 114.38 120.36 3k5e h ARG 355 Ca 0.13 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3k5e h ARG 355 Cb 0.55 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3k5e h ARG 355 CO 0.03 0.68 0.16 0.00 -1.07 0.00 0.00 179.97 179.77 3k5e h ALA 356 N 1.49 1.49 -0.73 0.04 0.00 -1.27 -2.33 119.26 117.97 3k5e h ALA 356 Ca 0.26 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.35 3k5e h ALA 356 Cb -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3k5e h ALA 356 CO -0.05 -0.21 0.50 0.87 0.00 0.00 0.00 179.25 180.37 3k5e h LYS 357 N 0.00 0.17 -0.94 0.00 1.57 -1.45 -2.76 116.57 113.15 3k5e h LYS 357 Ca 0.04 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3k5e h LYS 357 Cb 0.36 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3k5e h LYS 357 CO -0.00 0.11 0.09 0.09 -0.57 0.00 0.00 179.45 179.17 3k5e n ASN 358 N -4.40 2.74 -4.54 0.86 3.02 -0.88 -2.22 115.26 109.85 3k5e n ASN 358 Ca 0.14 -2.35 -0.36 0.00 -0.03 0.00 0.00 54.58 51.98 3k5e n ASN 358 Cb 0.68 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 3k5e n ASN 358 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k5e s ILE 359 N -1.21 4.72 -0.13 2.41 1.01 -1.04 -4.63 121.20 122.32 3k5e s ILE 359 Ca 0.15 -0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.62 3k5e s ILE 359 Cb 0.12 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 3k5e s ILE 359 CO 0.04 0.35 0.34 -0.22 0.00 0.00 0.00 174.94 175.45 3k5e s LEU 360 N 1.31 4.29 0.00 2.97 2.96 -1.26 -1.64 118.68 127.30 3k5e s LEU 360 Ca 0.06 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 3k5e s LEU 360 Cb -0.15 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.08 3k5e s LEU 360 CO 0.05 0.12 0.01 -0.46 -1.32 0.00 0.00 176.35 174.75 3k5e n ASN 361 N 3.27 1.00 0.00 3.68 2.04 -1.26 -4.23 115.26 119.76 3k5e n ASN 361 Ca -0.11 -1.19 0.00 0.00 -0.44 0.00 0.00 54.58 52.84 3k5e n ASN 361 Cb 0.52 0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.86 3k5e n ASN 361 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3k5e n LYS 362 N -0.08 0.00 0.00 -3.83 5.02 0.31 -4.95 118.16 114.63 3k5e n LYS 362 Ca -0.01 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 3k5e n LYS 362 Cb 0.05 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.37 3k5e n LYS 362 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53