#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5t s LYS 2 N 0.00 4.13 -0.32 0.03 2.20 -1.26 -5.03 119.74 119.48 2k5t s LYS 2 Ca 0.00 0.49 -0.21 0.00 -0.36 0.00 0.00 55.97 55.89 2k5t s LYS 2 Cb 0.00 -3.63 -0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2k5t s LYS 2 CO 0.00 -0.34 0.68 -1.17 -0.36 0.00 0.00 175.35 174.16 2k5t s LEU 3 N 2.27 4.16 -0.84 5.43 2.96 -1.26 -4.89 118.68 126.51 2k5t s LEU 3 Ca 0.25 0.39 -0.20 0.00 -0.22 0.00 0.00 54.13 54.36 2k5t s LEU 3 Cb -0.16 -2.88 0.11 0.00 0.50 0.00 0.00 46.19 43.77 2k5t s LEU 3 CO 0.09 -0.56 1.06 -0.89 -1.32 0.00 0.00 176.35 174.73 2k5t s THR 4 N 2.76 4.62 -0.18 3.68 2.01 -1.10 -4.96 115.64 122.46 2k5t s THR 4 Ca 0.27 -1.21 -0.22 0.00 0.31 0.00 0.00 61.69 60.84 2k5t s THR 4 Cb -0.14 -4.74 -0.02 0.00 0.01 0.00 0.00 72.50 67.60 2k5t s THR 4 CO 0.13 -1.48 0.67 -0.51 -0.69 0.00 0.00 174.62 172.75 2k5t s ILE 5 N 3.08 5.00 0.18 1.82 1.10 -1.26 -0.09 121.20 131.03 2k5t s ILE 5 Ca 0.29 1.29 0.09 0.00 -0.51 0.00 0.00 60.65 61.81 2k5t s ILE 5 Cb -0.09 -3.99 -0.04 0.00 0.15 0.00 0.00 42.46 38.49 2k5t s ILE 5 CO -0.03 0.12 -0.20 -0.63 -2.11 0.00 0.00 174.94 172.08 2k5t s ILE 6 N 1.80 1.98 -0.13 2.00 1.01 0.24 -4.96 121.20 123.14 2k5t s ILE 6 Ca 0.31 -1.96 -0.20 0.00 0.00 0.00 0.00 60.65 58.80 2k5t s ILE 6 Cb -0.16 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 2k5t s ILE 6 CO 0.11 -0.26 0.59 0.00 0.00 0.00 0.00 174.94 175.38 2k5t s ARG 7 N -2.77 4.32 -0.74 2.79 1.70 -1.26 -0.31 118.95 122.68 2k5t s ARG 7 Ca 0.17 0.62 -0.26 0.00 -0.47 0.00 0.00 55.73 55.79 2k5t s ARG 7 Cb -0.06 -3.49 0.04 0.00 -0.57 0.00 0.00 34.95 30.86 2k5t s ARG 7 CO 0.08 -0.01 1.25 -1.17 -1.08 0.00 0.00 175.30 174.37 2k5t s LEU 8 N 1.12 3.31 -0.02 -1.89 2.96 0.48 -4.79 118.68 119.85 2k5t s LEU 8 Ca 0.30 -0.55 0.20 0.00 -0.22 0.00 0.00 54.13 53.86 2k5t s LEU 8 Cb -0.16 -2.54 -0.28 0.00 0.50 0.00 0.00 46.19 43.71 2k5t s LEU 8 CO 0.12 -1.78 0.53 -0.62 -1.32 0.00 0.00 176.35 173.28 2k5t n GLU 9 N 9.17 0.62 -3.71 1.98 1.02 -1.26 -4.40 120.64 124.07 2k5t n GLU 9 Ca 0.03 -0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 56.93 2k5t n GLU 9 Cb 0.49 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 2k5t n GLU 9 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2k5t s LYS 10 N -3.21 0.90 -0.27 3.49 -2.85 -1.26 -4.82 119.74 111.72 2k5t s LYS 10 Ca -0.03 -0.54 0.02 0.00 -1.00 0.00 0.00 55.97 54.42 2k5t s LYS 10 Cb 0.13 0.39 0.06 0.00 -2.06 0.00 0.00 37.83 36.35 2k5t s LYS 10 CO 0.81 -0.31 -0.09 -0.06 0.10 0.00 0.00 175.35 175.80 2k5t s PHE 11 N -2.89 3.29 0.40 1.78 0.08 -1.26 -5.02 117.98 114.35 2k5t s PHE 11 Ca -0.03 -2.28 -0.03 0.00 0.12 0.00 0.00 56.93 54.71 2k5t s PHE 11 Cb 0.00 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2k5t s PHE 11 CO -0.05 -0.87 0.66 -1.54 -0.10 0.00 0.00 175.22 173.31 2k5t s SER 12 N 1.12 6.32 0.30 1.36 1.04 -1.26 -4.93 113.70 117.65 2k5t s SER 12 Ca -0.08 0.72 -0.00 0.00 0.48 0.00 0.00 55.95 57.07 2k5t s SER 12 Cb -0.20 -2.15 0.50 0.00 0.10 0.00 0.00 66.02 64.27 2k5t s SER 12 CO -0.04 -0.40 1.94 0.44 0.98 0.00 0.00 173.24 176.16 2k5t h ASP 13 N 0.71 0.92 0.54 7.02 5.19 -1.99 0.17 116.42 128.99 2k5t h ASP 13 Ca -0.48 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 2k5t h ASP 13 Cb 1.21 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.51 2k5t h ASP 13 CO 0.62 0.62 -0.26 1.56 -3.12 0.00 0.00 179.24 178.67 2k5t h GLN 14 N 1.06 -0.70 -0.68 3.56 4.20 -2.00 -1.80 115.11 118.75 2k5t h GLN 14 Ca 0.35 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 2k5t h GLN 14 Cb 0.05 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2k5t h GLN 14 CO -0.11 -0.44 0.34 -0.44 -0.67 0.00 0.00 178.83 177.51 2k5t h ASP 15 N -0.81 0.87 -0.40 1.46 3.32 -1.89 -2.55 116.42 116.43 2k5t h ASP 15 Ca -0.07 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 2k5t h ASP 15 Cb 0.59 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2k5t h ASP 15 CO 0.12 0.73 0.06 -0.09 -1.72 0.00 0.00 179.24 178.35 2k5t h ARG 16 N 0.96 0.75 -0.29 3.56 2.43 -0.51 0.44 114.38 121.72 2k5t h ARG 16 Ca 0.24 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2k5t h ARG 16 Cb 0.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2k5t h ARG 16 CO -0.03 0.72 -0.02 0.82 -1.51 0.00 0.00 179.97 179.95 2k5t h ILE 17 N 0.71 1.26 -0.33 1.20 2.04 -0.93 -1.98 117.51 119.49 2k5t h ILE 17 Ca 0.15 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 2k5t h ILE 17 Cb 0.34 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2k5t h ILE 17 CO 0.01 0.31 -0.10 -0.78 0.00 0.00 0.00 178.15 177.59 2k5t h ASP 18 N 0.31 0.54 -0.67 1.72 3.58 -1.10 -0.58 116.42 120.23 2k5t h ASP 18 Ca 0.08 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 2k5t h ASP 18 Cb 0.46 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 2k5t h ASP 18 CO 0.02 0.69 0.24 -0.07 -2.88 0.00 0.00 179.24 177.23 2k5t h LEU 19 N 0.52 0.95 -1.51 2.28 3.38 -0.81 0.43 115.31 120.54 2k5t h LEU 19 Ca 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2k5t h LEU 19 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k5t h LEU 19 CO 0.03 0.88 -0.07 -0.61 0.09 0.00 0.00 178.44 178.76 2k5t h GLN 20 N 0.96 0.00 0.00 1.13 4.15 -0.83 -1.53 115.11 118.99 2k5t h GLN 20 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2k5t h GLN 20 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2k5t h GLN 20 CO -0.01 0.07 -0.36 1.17 -1.93 0.00 0.00 178.83 177.77 2k5t n LYS 21 N -3.22 0.14 0.04 1.69 4.81 -0.27 -2.75 118.16 118.59 2k5t n LYS 21 Ca 0.00 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.38 2k5t n LYS 21 Cb 0.32 -1.61 -0.14 0.00 0.02 0.00 0.00 35.03 33.62 2k5t n LYS 21 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2k5t h ILE 22 N 0.00 1.19 -2.51 3.15 2.04 0.03 -3.39 117.51 118.03 2k5t h ILE 22 Ca 0.00 -2.92 -0.64 0.00 1.00 0.00 0.00 64.86 62.30 2k5t h ILE 22 Cb 0.62 2.67 -0.39 0.00 -0.74 0.00 0.00 36.82 38.98 2k5t h ILE 22 CO 0.00 0.76 -0.33 0.79 0.00 0.00 0.00 178.15 179.38 2k5t n TRP 23 N -3.31 3.44 -0.08 1.37 8.01 -0.87 -4.81 117.44 121.20 2k5t n TRP 23 Ca -0.13 -3.93 -0.12 0.00 -1.31 0.00 0.00 57.50 52.02 2k5t n TRP 23 Cb 1.02 -0.73 -0.05 0.00 -2.01 0.00 0.00 31.31 29.54 2k5t n TRP 23 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 2k5t h PRO 24 N 4.67 0.49 -2.88 -0.99 0.11 -1.72 -3.30 132.00 128.38 2k5t h PRO 24 Ca 0.19 -0.20 -0.78 0.00 0.11 0.00 0.00 66.00 65.32 2k5t h PRO 24 Cb 0.68 -0.02 -0.30 0.00 0.11 0.00 0.00 31.00 31.46 2k5t h PRO 24 CO 0.91 0.73 0.54 -1.91 -0.21 0.00 0.00 178.00 178.06 2k5t n GLU 25 N -4.53 4.07 -3.68 1.05 2.13 -1.26 -4.93 120.64 113.49 2k5t n GLU 25 Ca -0.04 -4.56 -0.12 0.00 0.66 0.00 0.00 57.16 53.09 2k5t n GLU 25 Cb 0.32 -2.48 -0.09 0.00 0.27 0.00 0.00 31.44 29.47 2k5t n GLU 25 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2k5t s TYR 26 N -2.58 -0.65 -0.37 4.31 5.04 -1.24 -5.04 117.35 116.80 2k5t s TYR 26 Ca 0.32 1.52 -0.28 0.00 -2.44 0.00 0.00 57.07 56.19 2k5t s TYR 26 Cb 0.05 0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.61 2k5t s TYR 26 CO 0.07 -0.32 1.72 -1.12 -1.34 0.00 0.00 175.55 174.55 2k5t s SER 27 N 0.59 5.94 0.05 4.32 0.01 -1.26 -4.92 113.70 118.43 2k5t s SER 27 Ca -0.02 1.11 -0.33 0.00 1.31 0.00 0.00 55.95 58.02 2k5t s SER 27 Cb -0.05 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.54 2k5t s SER 27 CO -0.03 -1.70 1.79 -2.65 0.41 0.00 0.00 173.24 171.06 2k5t n PRO 28 N 8.42 2.41 -1.69 12.44 -0.02 -1.26 -5.00 135.00 150.30 2k5t n PRO 28 Ca 0.21 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.38 2k5t n PRO 28 Cb 0.47 -2.73 0.12 0.00 -0.02 0.00 0.00 33.50 31.35 2k5t n PRO 28 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k5t n SER 29 N 5.54 0.50 0.07 2.55 7.64 -1.26 -4.99 113.62 123.67 2k5t n SER 29 Ca 0.19 -1.58 -0.04 0.00 1.01 0.00 0.00 58.87 58.46 2k5t n SER 29 Cb 0.33 -0.62 0.17 0.00 -1.01 0.00 0.00 64.21 63.07 2k5t n SER 29 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2k5t h SER 30 N -0.88 0.33 -4.67 6.43 0.87 -2.06 -3.48 113.55 110.09 2k5t h SER 30 Ca -0.28 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2k5t h SER 30 Cb 0.88 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2k5t h SER 30 CO 0.24 0.76 -0.56 0.18 -0.53 0.00 0.00 176.83 176.91 2k5t n LEU 31 N -3.98 -6.54 -4.00 2.23 4.77 -1.26 -5.08 117.00 103.14 2k5t n LEU 31 Ca -0.02 0.75 -0.12 0.00 -0.03 0.00 0.00 56.01 56.59 2k5t n LEU 31 Cb 0.53 -2.80 -0.12 0.00 -2.33 0.00 0.00 43.42 38.70 2k5t n LEU 31 CO 0.43 -2.12 -0.38 -1.10 -1.33 0.00 0.00 177.39 172.90 2k5t s GLN 32 N -1.73 0.38 -0.19 3.23 -0.21 -1.26 -5.00 119.66 114.88 2k5t s GLN 32 Ca 0.10 -0.55 -0.16 0.00 0.02 0.00 0.00 55.36 54.76 2k5t s GLN 32 Cb -0.03 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.82 2k5t s GLN 32 CO 0.59 0.01 0.42 0.08 -2.12 0.00 0.00 175.29 174.27 2k5t s VAL 33 N -1.11 5.19 0.06 1.09 1.01 -1.26 -4.86 120.40 120.51 2k5t s VAL 33 Ca -0.10 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2k5t s VAL 33 Cb -0.08 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2k5t s VAL 33 CO -0.00 0.26 -0.04 -0.62 0.00 0.00 0.00 175.10 174.70 2k5t s ASP 34 N 0.95 0.64 0.31 3.32 2.15 0.08 -5.01 116.67 119.12 2k5t s ASP 34 Ca 0.21 -0.91 0.02 0.00 0.43 0.00 0.00 52.55 52.30 2k5t s ASP 34 Cb -0.15 0.15 0.52 0.00 -0.30 0.00 0.00 42.92 43.14 2k5t s ASP 34 CO 0.08 -0.50 1.88 -0.78 -0.17 0.00 0.00 175.17 175.68 2k5t h ASP 35 N 3.39 0.65 0.03 -0.34 3.58 -1.99 -3.08 116.42 118.67 2k5t h ASP 35 Ca -0.34 -0.10 -0.19 0.00 0.42 0.00 0.00 57.03 56.82 2k5t h ASP 35 Cb 1.16 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2k5t h ASP 35 CO 0.61 0.64 -1.00 0.78 -2.88 0.00 0.00 179.24 177.39 2k5t h ASN 36 N 0.69 0.12 -1.96 2.28 -0.26 -1.91 -3.41 115.58 111.13 2k5t h ASN 36 Ca 0.16 -0.74 -0.70 0.00 -0.56 0.00 0.00 56.30 54.46 2k5t h ASN 36 Cb 0.24 -0.04 -0.16 0.00 -1.06 0.00 0.00 38.32 37.31 2k5t h ASN 36 CO -0.00 1.41 1.31 -1.00 -1.06 0.00 0.00 177.43 178.09 2k5t s HIS 37 N -2.36 3.17 0.06 1.19 3.76 -1.20 -0.49 115.29 119.42 2k5t s HIS 37 Ca -0.24 -1.68 0.04 0.00 -0.15 0.00 0.00 55.06 53.03 2k5t s HIS 37 Cb 0.03 -4.40 -0.04 0.00 1.11 0.00 0.00 32.58 29.28 2k5t s HIS 37 CO 0.67 -1.54 -0.02 0.50 -0.85 0.00 0.00 174.74 173.50 2k5t s ARG 38 N 2.67 2.56 -0.02 1.40 3.52 -0.07 -0.74 118.95 128.26 2k5t s ARG 38 Ca 0.41 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 2k5t s ARG 38 Cb -0.02 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 2k5t s ARG 38 CO -0.03 0.57 -0.17 0.42 -0.81 0.00 0.00 175.30 175.27 2k5t s ILE 39 N -1.20 1.38 0.16 4.11 1.01 -1.26 0.26 121.20 125.66 2k5t s ILE 39 Ca 0.22 -0.73 0.10 0.00 0.00 0.00 0.00 60.65 60.24 2k5t s ILE 39 Cb -0.11 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2k5t s ILE 39 CO 0.14 0.39 -0.20 -0.31 0.00 0.00 0.00 174.94 174.96 2k5t s TYR 40 N -0.32 2.42 -0.04 3.97 1.51 0.44 -0.39 117.35 124.94 2k5t s TYR 40 Ca 0.05 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 2k5t s TYR 40 Cb -0.08 -1.24 0.03 0.00 -0.11 0.00 0.00 41.96 40.56 2k5t s TYR 40 CO -0.00 0.44 -0.00 0.00 -1.11 0.00 0.00 175.55 174.88 2k5t s ALA 41 N -1.43 0.48 -0.55 3.71 0.00 0.58 -1.84 121.76 122.71 2k5t s ALA 41 Ca 0.20 0.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.00 2k5t s ALA 41 Cb -0.09 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.62 2k5t s ALA 41 CO 0.10 -0.19 0.74 0.00 0.00 0.00 0.00 175.76 176.41 2k5t s ALA 42 N 1.33 3.31 -0.42 0.00 0.00 0.83 -0.60 121.76 126.21 2k5t s ALA 42 Ca -0.05 -1.73 -0.18 0.00 0.00 0.00 0.00 51.96 49.99 2k5t s ALA 42 Cb -0.13 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.49 2k5t s ALA 42 CO -0.02 -2.23 0.50 0.50 0.00 0.00 0.00 175.76 174.51 2k5t s ARG 43 N 3.06 3.17 -0.06 0.00 3.52 0.87 -0.30 118.95 129.22 2k5t s ARG 43 Ca 0.18 -0.62 0.06 0.00 -0.13 0.00 0.00 55.73 55.22 2k5t s ARG 43 Cb -0.18 -3.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.24 2k5t s ARG 43 CO 0.12 -0.89 -0.24 0.12 -0.81 0.00 0.00 175.30 173.60 2k5t s PHE 44 N 2.35 2.47 -1.64 5.12 5.36 0.89 -2.72 117.98 129.82 2k5t s PHE 44 Ca 0.15 -0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 55.42 2k5t s PHE 44 Cb -0.16 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 2k5t s PHE 44 CO 0.15 -0.20 0.07 -1.71 -1.46 0.00 0.00 175.22 172.08 2k5t n ASN 45 N 2.95 -5.62 -0.81 6.13 5.15 -1.26 -1.27 115.26 120.53 2k5t n ASN 45 Ca -0.17 -0.05 -0.11 0.00 -0.60 0.00 0.00 54.58 53.65 2k5t n ASN 45 Cb 0.52 -4.63 -0.05 0.00 -0.53 0.00 0.00 39.78 35.10 2k5t n ASN 45 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k5t n GLU 46 N -2.99 -1.14 -4.84 1.20 1.02 -1.26 -4.99 120.64 107.64 2k5t n GLU 46 Ca -0.22 0.83 -0.25 0.00 -0.02 0.00 0.00 57.16 57.50 2k5t n GLU 46 Cb 0.67 -4.94 -0.15 0.00 -0.02 0.00 0.00 31.44 26.99 2k5t n GLU 46 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2k5t s ARG 47 N -2.73 1.50 -0.36 3.49 3.52 -0.40 -5.07 118.95 118.90 2k5t s ARG 47 Ca 0.00 -0.62 -0.27 0.00 -0.13 0.00 0.00 55.73 54.70 2k5t s ARG 47 Cb 0.00 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.94 2k5t s ARG 47 CO 0.00 0.35 2.09 -0.51 -0.81 0.00 0.00 175.30 176.42 2k5t s LEU 48 N -0.31 3.43 -0.04 -0.88 1.43 -1.26 -0.08 118.68 120.97 2k5t s LEU 48 Ca 0.04 1.35 0.16 0.00 -1.03 0.00 0.00 54.13 54.65 2k5t s LEU 48 Cb -0.08 -3.17 -0.24 0.00 0.03 0.00 0.00 46.19 42.72 2k5t s LEU 48 CO -0.00 -2.14 0.32 -0.11 0.23 0.00 0.00 176.35 174.64 2k5t n LEU 49 N 12.34 0.00 -3.81 1.79 7.94 0.59 -4.92 117.00 130.92 2k5t n LEU 49 Ca 0.28 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.05 2k5t n LEU 49 Cb 0.49 0.05 -0.15 0.00 0.53 0.00 0.00 43.42 44.34 2k5t n LEU 49 CO 0.68 0.05 -0.32 0.00 -1.11 0.00 0.00 177.39 176.70 2k5t s ALA 50 N -3.03 -0.05 -0.06 1.96 0.00 -0.98 0.17 121.76 119.77 2k5t s ALA 50 Ca -0.06 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.18 2k5t s ALA 50 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2k5t s ALA 50 CO 0.67 -0.07 -0.18 0.00 0.00 0.00 0.00 175.76 176.18 2k5t s ALA 51 N 0.53 1.68 -0.05 0.00 0.00 -0.31 -0.12 121.76 123.50 2k5t s ALA 51 Ca -0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2k5t s ALA 51 Cb -0.06 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.48 2k5t s ALA 51 CO -0.02 0.26 0.10 0.54 0.00 0.00 0.00 175.76 176.64 2k5t s VAL 52 N 0.22 -0.04 0.17 0.00 0.11 -0.77 -1.29 120.40 118.80 2k5t s VAL 52 Ca -0.10 0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 2k5t s VAL 52 Cb -0.14 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 2k5t s VAL 52 CO 0.04 0.06 0.21 -0.13 -3.33 0.00 0.00 175.10 171.96 2k5t s ARG 53 N 0.93 3.14 -0.06 1.54 0.52 -1.02 -0.42 118.95 123.58 2k5t s ARG 53 Ca -0.07 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2k5t s ARG 53 Cb -0.10 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.64 2k5t s ARG 53 CO -0.04 0.49 0.13 0.54 0.02 0.00 0.00 175.30 176.44 2k5t s VAL 54 N -1.79 -0.12 -0.42 3.52 0.11 0.14 -0.85 120.40 120.99 2k5t s VAL 54 Ca 0.33 0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 59.50 2k5t s VAL 54 Cb -0.10 -0.23 0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2k5t s VAL 54 CO 0.26 0.10 0.30 -0.89 -3.33 0.00 0.00 175.10 171.54 2k5t s THR 55 N 1.55 4.87 -0.84 5.04 2.01 0.17 -0.90 115.64 127.54 2k5t s THR 55 Ca -0.05 -0.98 -0.23 0.00 0.31 0.00 0.00 61.69 60.74 2k5t s THR 55 Cb -0.12 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.63 2k5t s THR 55 CO -0.05 -0.41 1.23 -0.76 -0.69 0.00 0.00 174.62 173.94 2k5t s LEU 56 N 1.58 3.88 -0.87 4.42 1.43 0.35 -0.84 118.68 128.63 2k5t s LEU 56 Ca 0.03 -1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 2k5t s LEU 56 Cb -0.21 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.60 2k5t s LEU 56 CO 0.07 -1.51 1.16 -0.55 0.23 0.00 0.00 176.35 175.74 2k5t s SER 57 N 4.08 6.46 0.61 2.29 0.15 0.16 -4.67 113.70 122.78 2k5t s SER 57 Ca 0.35 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.42 2k5t s SER 57 Cb -0.07 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2k5t s SER 57 CO 0.02 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.78 2k5t n GLY 58 N 5.72 1.55 0.03 9.45 0.00 -1.26 -1.69 105.19 119.00 2k5t n GLY 58 Ca 0.18 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.30 2k5t n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k5t n THR 59 N 0.00 1.21 -4.28 2.61 -1.04 -1.26 -5.03 114.28 106.50 2k5t n THR 59 Ca 0.00 -1.32 -0.24 0.00 -2.04 0.00 0.00 64.05 60.45 2k5t n THR 59 Cb 0.00 0.30 -0.08 0.00 -1.82 0.00 0.00 70.33 68.74 2k5t n THR 59 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k5t s GLU 60 N -1.49 2.27 -0.14 -2.82 0.41 -0.68 -3.87 118.70 112.38 2k5t s GLU 60 Ca 0.09 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 2k5t s GLU 60 Cb 0.08 -2.20 0.02 0.00 -1.78 0.00 0.00 34.13 30.25 2k5t s GLU 60 CO 0.01 0.40 -0.14 0.20 -0.49 0.00 0.00 175.26 175.24 2k5t s GLY 61 N -3.37 1.08 -0.14 -1.39 0.00 -1.04 -0.66 107.32 101.79 2k5t s GLY 61 Ca 0.29 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 2k5t s GLY 61 CO 0.19 0.52 -0.01 0.00 0.00 0.00 0.00 173.10 173.79 2k5t s ALA 62 N 1.44 3.12 -0.28 3.20 0.00 -0.02 -1.76 121.76 127.46 2k5t s ALA 62 Ca 0.03 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 2k5t s ALA 62 Cb -0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 2k5t s ALA 62 CO -0.09 0.29 0.39 -0.51 0.00 0.00 0.00 175.76 175.84 2k5t s LEU 63 N 0.10 4.10 0.00 0.00 1.43 0.15 0.43 118.68 124.90 2k5t s LEU 63 Ca 0.01 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2k5t s LEU 63 Cb -0.13 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.64 2k5t s LEU 63 CO 0.02 -0.23 0.00 0.47 0.23 0.00 0.00 176.35 176.84 2k5t n ASP 64 N 5.39 0.00 -4.66 2.29 9.92 -0.03 -1.08 116.55 128.37 2k5t n ASP 64 Ca -0.08 0.00 -0.58 0.00 -0.53 0.00 0.00 54.79 53.60 2k5t n ASP 64 Cb 0.50 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.91 2k5t n ASP 64 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2k5t n SER 65 N 0.00 2.20 -4.16 -2.24 3.41 -1.26 -4.51 113.62 107.05 2k5t n SER 65 Ca 0.00 0.99 -0.34 0.00 -0.26 0.00 0.00 58.87 59.27 2k5t n SER 65 Cb 0.00 -1.12 -0.15 0.00 -0.26 0.00 0.00 64.21 62.68 2k5t n SER 65 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2k5t s LEU 66 N 4.05 2.74 -0.08 1.04 2.96 -1.26 -2.43 118.68 125.70 2k5t s LEU 66 Ca 1.01 -0.81 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2k5t s LEU 66 Cb -1.11 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 44.06 2k5t s LEU 66 CO 0.65 -0.07 0.17 -0.60 -1.32 0.00 0.00 176.35 175.18 2k5t s ARG 67 N 1.29 0.06 -0.05 1.98 3.52 -0.41 -5.03 118.95 120.32 2k5t s ARG 67 Ca 0.01 0.52 -0.14 0.00 -0.13 0.00 0.00 55.73 56.00 2k5t s ARG 67 Cb -0.15 -0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 32.96 2k5t s ARG 67 CO -0.08 -0.26 0.37 0.08 -0.81 0.00 0.00 175.30 174.59 2k5t s VAL 68 N 1.95 5.14 0.29 7.11 1.01 -1.26 -1.16 120.40 133.48 2k5t s VAL 68 Ca -0.01 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 2k5t s VAL 68 Cb -0.12 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.47 2k5t s VAL 68 CO -0.06 0.54 1.44 -1.14 0.00 0.00 0.00 175.10 175.88 2k5t n ARG 69 N 2.24 2.31 0.20 2.72 0.63 0.13 -4.81 116.66 120.07 2k5t n ARG 69 Ca -0.14 0.82 0.11 0.00 -0.92 0.00 0.00 57.85 57.72 2k5t n ARG 69 Cb 0.53 -2.50 0.60 0.00 0.45 0.00 0.00 32.46 31.53 2k5t n ARG 69 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2k5t h GLU 70 N 3.88 0.00 0.00 -0.14 4.81 -1.94 0.22 114.58 121.41 2k5t h GLU 70 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2k5t h GLU 70 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2k5t h GLU 70 CO 0.73 0.00 0.00 -0.39 -0.73 0.00 0.00 179.01 178.62 2k5t h VAL 71 N 0.00 0.00 -2.53 0.32 -1.51 -1.95 -3.24 116.25 107.33 2k5t h VAL 71 Ca 0.00 -0.17 -0.71 0.00 -1.23 0.00 0.00 66.70 64.59 2k5t h VAL 71 Cb 0.26 0.86 -0.34 0.00 -2.13 0.00 0.00 31.29 29.94 2k5t h VAL 71 CO 0.00 0.00 0.19 0.41 -1.23 0.00 0.00 177.57 176.94 2k5t n THR 72 N -2.39 4.14 -3.08 7.19 -1.04 0.07 -5.01 114.28 114.17 2k5t n THR 72 Ca 0.00 -5.66 -0.44 0.00 -2.04 0.00 0.00 64.05 55.92 2k5t n THR 72 Cb 0.16 -1.98 -0.05 0.00 -1.82 0.00 0.00 70.33 66.64 2k5t n THR 72 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2k5t s ARG 73 N -2.88 3.12 -0.42 -2.82 3.52 -1.23 -4.59 118.95 113.65 2k5t s ARG 73 Ca 0.36 -0.94 -0.15 0.00 -0.13 0.00 0.00 55.73 54.87 2k5t s ARG 73 Cb 0.12 -4.16 0.02 0.00 -1.56 0.00 0.00 34.95 29.37 2k5t s ARG 73 CO 0.02 -1.41 0.58 0.54 -0.81 0.00 0.00 175.30 174.22 2k5t n ARG 74 N 6.53 -2.27 -0.34 5.12 1.74 -1.26 -4.99 116.66 121.19 2k5t n ARG 74 Ca -0.06 2.05 0.00 0.00 -0.77 0.00 0.00 57.85 59.07 2k5t n ARG 74 Cb 0.45 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 2k5t n ARG 74 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2k5t n ARG 75 N -0.35 0.00 0.00 5.56 0.63 -1.26 -5.00 116.66 116.24 2k5t n ARG 75 Ca 0.11 -0.75 0.00 0.00 -0.92 0.00 0.00 57.85 56.30 2k5t n ARG 75 Cb 0.44 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2k5t n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k5t n GLY 76 N 0.00 3.08 0.24 5.14 0.00 -1.26 -4.86 105.19 107.52 2k5t n GLY 76 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k5t n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k5t h VAL 77 N 0.00 0.61 0.00 1.61 2.07 -1.95 -0.55 116.25 118.05 2k5t h VAL 77 Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2k5t h VAL 77 Cb 0.00 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2k5t h VAL 77 CO 0.00 0.05 -0.09 1.23 0.02 0.00 0.00 177.57 178.78 2k5t h GLY 78 N 0.26 0.00 0.52 2.17 0.00 -1.94 -1.31 103.07 102.77 2k5t h GLY 78 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 2k5t h GLY 78 CO -0.43 0.00 -0.13 1.46 0.00 0.00 0.00 176.54 177.45 2k5t h GLN 79 N 0.00 -0.34 -0.63 4.80 4.20 -1.51 -2.15 115.11 119.48 2k5t h GLN 79 Ca -0.00 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.80 2k5t h GLN 79 Cb 0.17 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 2k5t h GLN 79 CO 0.01 0.01 0.32 -0.92 -0.67 0.00 0.00 178.83 177.59 2k5t h TYR 80 N -0.84 0.59 0.17 2.96 5.03 -1.37 -1.08 116.97 122.43 2k5t h TYR 80 Ca -0.04 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.31 2k5t h TYR 80 Cb 0.51 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 2k5t h TYR 80 CO 0.05 0.26 -0.44 1.25 -1.32 0.00 0.00 178.16 177.96 2k5t h LEU 81 N 0.59 -1.28 -0.64 2.82 5.85 -1.23 0.18 115.31 121.60 2k5t h LEU 81 Ca 0.29 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 59.05 2k5t h LEU 81 Cb 0.23 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2k5t h LEU 81 CO -0.21 -0.52 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.30 2k5t h LEU 82 N -0.71 1.03 -0.72 2.25 3.38 -1.19 -1.24 115.31 118.12 2k5t h LEU 82 Ca 0.01 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2k5t h LEU 82 Cb 0.71 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2k5t h LEU 82 CO -0.22 1.09 0.46 -0.33 0.09 0.00 0.00 178.44 179.53 2k5t h GLU 83 N 0.96 0.88 -0.47 1.13 5.08 -0.95 -1.01 114.58 120.21 2k5t h GLU 83 Ca 0.17 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2k5t h GLU 83 Cb 0.57 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2k5t h GLU 83 CO 0.03 0.58 0.04 1.49 -1.00 0.00 0.00 179.01 180.16 2k5t h GLU 84 N 0.91 0.74 -0.09 2.33 4.57 -0.11 0.11 114.58 123.04 2k5t h GLU 84 Ca 0.28 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2k5t h GLU 84 Cb -0.02 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2k5t h GLU 84 CO -0.10 0.73 0.03 0.28 -1.18 0.00 0.00 179.01 178.78 2k5t h VAL 85 N 0.70 1.15 0.00 0.32 2.07 -0.56 0.20 116.25 120.14 2k5t h VAL 85 Ca 0.15 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2k5t h VAL 85 Cb 0.37 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2k5t h VAL 85 CO 0.01 0.13 -0.24 -0.07 0.02 0.00 0.00 177.57 177.42 2k5t h LEU 86 N -0.02 0.00 -0.13 2.57 4.07 -0.90 -2.40 115.31 118.50 2k5t h LEU 86 Ca 0.03 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.77 2k5t h LEU 86 Cb 0.17 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2k5t h LEU 86 CO -0.00 0.24 -0.99 0.03 -1.08 0.00 0.00 178.44 176.64 2k5t h ARG 87 N 0.00 0.24 -0.22 1.13 3.08 -0.46 -3.33 114.38 114.82 2k5t h ARG 87 Ca -0.00 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 2k5t h ARG 87 Cb 0.50 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2k5t h ARG 87 CO 0.03 1.05 -0.24 -0.97 -1.07 0.00 0.00 179.97 178.78 2k5t h ASN 88 N 0.11 0.60 -3.25 7.04 -0.73 -0.12 -3.41 115.58 115.82 2k5t h ASN 88 Ca -0.07 -0.48 -0.57 0.00 1.87 0.00 0.00 56.30 57.05 2k5t h ASN 88 Cb 1.66 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 40.03 2k5t h ASN 88 CO 0.16 0.96 1.00 0.20 -0.37 0.00 0.00 177.43 179.38 2k5t s ASN 89 N -6.38 6.55 -0.11 1.15 0.01 -0.99 -4.90 114.94 110.26 2k5t s ASN 89 Ca -0.13 0.99 0.04 0.00 -0.71 0.00 0.00 52.86 53.06 2k5t s ASN 89 Cb 0.07 -2.54 0.29 0.00 0.41 0.00 0.00 41.25 39.48 2k5t s ASN 89 CO 0.80 -1.22 1.06 -0.81 -1.51 0.00 0.00 177.10 175.42 2k5t n PRO 90 N 7.63 2.21 -2.69 -0.60 -0.04 -1.26 -4.42 135.00 135.83 2k5t n PRO 90 Ca 0.15 -1.16 -0.04 0.00 -0.04 0.00 0.00 63.50 62.40 2k5t n PRO 90 Cb 0.47 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2k5t n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5t n GLY 91 N 0.15 -1.40 2.84 0.55 0.00 -1.26 -5.13 105.19 100.93 2k5t n GLY 91 Ca 0.13 0.98 -0.15 0.00 0.00 0.00 0.00 46.02 46.99 2k5t n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5t s VAL 92 N 0.67 -0.07 -0.21 1.61 1.01 -1.25 -4.59 120.40 117.56 2k5t s VAL 92 Ca 0.26 0.22 0.13 0.00 0.00 0.00 0.00 61.98 62.59 2k5t s VAL 92 Cb 0.15 -0.16 -0.23 0.00 0.00 0.00 0.00 36.38 36.14 2k5t s VAL 92 CO -0.11 0.09 -0.00 -1.54 0.00 0.00 0.00 175.10 173.54 2k5t n SER 93 N 4.30 0.64 -4.06 3.32 3.41 -1.25 -4.61 113.62 115.37 2k5t n SER 93 Ca -0.25 -0.03 -0.22 0.00 -0.26 0.00 0.00 58.87 58.11 2k5t n SER 93 Cb 0.51 0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 64.83 2k5t n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k5t s TRP 95 N -0.04 2.83 -0.20 0.00 0.52 0.14 -2.50 118.94 119.70 2k5t s TRP 95 Ca 0.00 -1.18 -0.02 0.00 0.02 0.00 0.00 56.10 54.92 2k5t s TRP 95 Cb -0.08 -1.96 -0.00 0.00 -1.15 0.00 0.00 33.47 30.28 2k5t s TRP 95 CO 0.00 -0.59 -0.09 -0.46 0.02 0.00 0.00 176.95 175.83 2k5t s TRP 96 N 1.13 2.90 -0.16 -1.98 -0.11 -0.72 -1.03 118.94 118.96 2k5t s TRP 96 Ca 0.01 -1.07 -0.05 0.00 1.22 0.00 0.00 56.10 56.21 2k5t s TRP 96 Cb -0.14 -2.03 -0.03 0.00 -1.50 0.00 0.00 33.47 29.77 2k5t s TRP 96 CO -0.05 -0.57 -0.00 -1.64 -4.62 0.00 0.00 176.95 170.07 2k5t s MET 97 N 1.29 3.77 -0.03 5.86 -1.94 0.63 0.33 119.30 129.21 2k5t s MET 97 Ca 0.03 -0.46 -0.03 0.00 -1.71 0.00 0.00 55.69 53.53 2k5t s MET 97 Cb -0.14 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 2k5t s MET 97 CO -0.04 0.26 0.15 0.00 -0.01 0.00 0.00 175.02 175.37 2k5t s ALA 98 N 0.34 3.84 0.25 3.03 0.00 -0.24 -0.28 121.76 128.70 2k5t s ALA 98 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2k5t s ALA 98 Cb -0.14 -1.81 0.31 0.00 0.00 0.00 0.00 23.12 21.49 2k5t s ALA 98 CO 0.02 0.71 1.63 0.38 0.00 0.00 0.00 175.76 178.50 2k5t h ASP 99 N 4.08 0.43 -1.04 0.00 2.03 -1.88 -3.41 116.42 116.63 2k5t h ASP 99 Ca -0.50 -0.19 -0.39 0.00 -0.73 0.00 0.00 57.03 55.21 2k5t h ASP 99 Cb 1.19 -0.12 -0.15 0.00 -0.83 0.00 0.00 39.33 39.42 2k5t h ASP 99 CO 0.65 0.81 -0.37 0.00 -1.03 0.00 0.00 179.24 179.31 2k5t n ALA 100 N -2.49 -0.31 0.00 4.15 0.00 -1.26 -2.16 120.51 118.44 2k5t n ALA 100 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2k5t n ALA 100 Cb 0.51 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2k5t n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5t n GLY 101 N -0.63 1.27 3.64 0.00 0.00 -1.26 -4.95 105.19 103.26 2k5t n GLY 101 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2k5t n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5t s VAL 102 N -2.00 4.84 -1.82 1.61 0.11 -0.92 -4.89 120.40 117.34 2k5t s VAL 102 Ca 0.00 1.49 0.25 0.00 -2.93 0.00 0.00 61.98 60.79 2k5t s VAL 102 Cb 0.00 -4.11 0.18 0.00 -1.53 0.00 0.00 36.38 30.92 2k5t s VAL 102 CO 0.00 -0.09 1.41 -0.62 -3.33 0.00 0.00 175.10 172.48 2k5t n GLU 103 N 6.01 0.92 -0.23 1.54 1.02 -1.26 -3.17 120.64 125.48 2k5t n GLU 103 Ca 0.05 -0.63 0.03 0.00 -0.02 0.00 0.00 57.16 56.59 2k5t n GLU 103 Cb 0.48 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.53 2k5t n GLU 103 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k5t n ASP 104 N -0.49 2.08 -0.00 1.62 8.00 -1.26 -4.42 116.55 122.07 2k5t n ASP 104 Ca 0.11 -2.19 0.13 0.00 0.71 0.00 0.00 54.79 53.55 2k5t n ASP 104 Cb 0.38 -0.41 0.57 0.00 -0.02 0.00 0.00 41.12 41.64 2k5t n ASP 104 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2k5t h ARG 105 N 1.34 0.23 -0.11 -1.24 0.11 -1.96 0.12 114.38 112.88 2k5t h ARG 105 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2k5t h ARG 105 Cb 0.74 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.76 2k5t h ARG 105 CO 0.10 0.16 0.02 0.78 0.10 0.00 0.00 179.97 181.12 2k5t h GLY 106 N 0.24 0.20 1.00 0.08 0.00 -1.89 0.40 103.07 103.10 2k5t h GLY 106 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2k5t h GLY 106 CO -0.04 0.12 0.36 -2.08 0.00 0.00 0.00 176.54 174.90 2k5t h VAL 107 N -0.05 1.19 -0.72 4.60 2.07 -1.67 -2.08 116.25 119.59 2k5t h VAL 107 Ca 0.03 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2k5t h VAL 107 Cb 0.29 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2k5t h VAL 107 CO 0.00 0.20 0.38 -0.03 0.02 0.00 0.00 177.57 178.14 2k5t h MET 108 N 0.85 1.01 -0.58 1.57 -1.53 -0.80 -1.86 114.93 113.59 2k5t h MET 108 Ca 0.22 -0.12 -0.01 0.00 -3.44 0.00 0.00 59.70 56.35 2k5t h MET 108 Cb 0.01 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 30.84 2k5t h MET 108 CO -0.04 0.76 0.31 1.15 0.14 0.00 0.00 176.91 179.22 2k5t h THR 109 N 1.01 1.18 -0.53 -0.77 2.02 0.48 0.47 112.91 116.77 2k5t h THR 109 Ca 0.25 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 67.00 2k5t h THR 109 Cb 0.05 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 2k5t h THR 109 CO -0.04 0.20 0.31 0.00 0.37 0.00 0.00 175.52 176.36 2k5t h ALA 110 N 1.53 0.68 -0.39 6.16 0.00 -0.89 0.41 119.26 126.76 2k5t h ALA 110 Ca 0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2k5t h ALA 110 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k5t h ALA 110 CO -0.03 0.00 0.14 0.35 0.00 0.00 0.00 179.25 179.71 2k5t h PHE 111 N 0.61 0.60 -0.59 0.00 3.57 -1.01 -2.53 116.94 117.59 2k5t h PHE 111 Ca 0.22 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2k5t h PHE 111 Cb 0.06 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2k5t h PHE 111 CO -0.07 0.55 0.37 0.52 -2.23 0.00 0.00 178.31 177.45 2k5t h MET 112 N 0.48 0.80 -0.42 1.11 2.86 0.66 -1.69 114.93 118.73 2k5t h MET 112 Ca 0.13 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2k5t h MET 112 Cb 0.21 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2k5t h MET 112 CO -0.01 0.56 0.12 1.96 1.06 0.00 0.00 176.91 180.60 2k5t h GLN 113 N 0.80 0.62 -0.23 1.72 4.20 -0.11 0.44 115.11 122.56 2k5t h GLN 113 Ca 0.21 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 2k5t h GLN 113 Cb -0.05 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2k5t h GLN 113 CO -0.04 0.56 -0.04 0.00 -0.67 0.00 0.00 178.83 178.64 2k5t h ALA 114 N 1.52 1.51 0.14 3.87 0.00 -0.87 -2.97 119.26 122.46 2k5t h ALA 114 Ca 0.14 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 2k5t h ALA 114 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k5t h ALA 114 CO -0.01 0.35 -1.41 1.25 0.00 0.00 0.00 179.25 179.44 2k5t h LEU 115 N 0.34 0.47 0.00 0.00 5.85 -0.83 -3.49 115.31 117.66 2k5t h LEU 115 Ca 0.08 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2k5t h LEU 115 Cb 0.29 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2k5t h LEU 115 CO 0.01 1.63 0.00 0.61 -0.34 0.00 0.00 178.44 180.35 2k5t n GLY 116 N 1.76 0.32 3.13 3.75 0.00 0.12 -5.12 105.19 109.15 2k5t n GLY 116 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2k5t n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5t s PHE 117 N -0.37 2.98 -0.14 1.61 0.40 0.85 -4.77 117.98 118.54 2k5t s PHE 117 Ca 0.00 -1.78 -0.07 0.00 -0.60 0.00 0.00 56.93 54.48 2k5t s PHE 117 Cb 0.00 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 2k5t s PHE 117 CO 0.00 -0.80 0.10 0.95 0.70 0.00 0.00 175.22 176.17 2k5t s THR 118 N 1.25 5.13 -0.12 0.64 -4.23 -1.21 -2.96 115.64 114.15 2k5t s THR 118 Ca 0.00 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 2k5t s THR 118 Cb -0.16 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.38 2k5t s THR 118 CO -0.09 0.55 0.24 0.28 -0.54 0.00 0.00 174.62 175.07 2k5t s THR 119 N -0.47 5.33 0.00 3.99 -1.32 -1.26 0.21 115.64 122.13 2k5t s THR 119 Ca 0.11 0.45 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 2k5t s THR 119 Cb -0.12 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 2k5t s THR 119 CO 0.02 0.50 0.00 0.00 -2.21 0.00 0.00 174.62 172.93 2k5t n GLN 120 N 2.76 0.00 -1.78 7.08 6.02 -0.94 -4.96 117.38 125.56 2k5t n GLN 120 Ca -0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.44 2k5t n GLN 120 Cb 0.53 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.78 2k5t n GLN 120 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2k5t n GLN 121 N -2.11 4.11 0.00 -1.09 6.02 -1.26 -4.67 117.38 118.38 2k5t n GLN 121 Ca 0.00 -3.00 0.00 0.00 -0.01 0.00 0.00 57.00 53.99 2k5t n GLN 121 Cb 0.00 -2.75 0.00 0.00 1.02 0.00 0.00 30.24 28.51 2k5t n GLN 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k5t n GLY 122 N 2.58 1.61 1.07 1.08 0.00 -1.26 -4.89 105.19 105.38 2k5t n GLY 122 Ca 0.65 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 2k5t n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5t n GLY 123 N 0.00 3.91 3.68 -0.02 0.00 -1.26 -4.67 105.19 106.82 2k5t n GLY 123 Ca 0.00 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.40 2k5t n GLY 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k5t s TRP 124 N -1.46 3.36 -0.20 1.61 0.51 0.62 -2.22 118.94 121.15 2k5t s TRP 124 Ca 0.01 0.35 -0.04 0.00 -2.12 0.00 0.00 56.10 54.31 2k5t s TRP 124 Cb -0.00 -2.31 -0.01 0.00 -0.81 0.00 0.00 33.47 30.34 2k5t s TRP 124 CO 0.01 0.11 -0.05 -1.21 -0.51 0.00 0.00 176.95 175.29 2k5t s GLU 125 N 0.93 3.42 0.03 4.98 2.02 0.13 -0.27 118.70 129.94 2k5t s GLU 125 Ca 0.11 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.50 2k5t s GLU 125 Cb -0.13 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2k5t s GLU 125 CO 0.04 -0.10 -0.06 0.21 0.02 0.00 0.00 175.26 175.36 2k5t s LYS 126 N 1.24 0.44 0.12 1.61 2.20 -0.20 -3.29 119.74 121.86 2k5t s LYS 126 Ca 0.03 -0.64 0.06 0.00 -0.36 0.00 0.00 55.97 55.06 2k5t s LYS 126 Cb -0.14 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 2k5t s LYS 126 CO -0.01 0.03 -0.04 0.00 -0.36 0.00 0.00 175.35 174.97