#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyr s SER 57 N 0.00 4.84 0.30 1.61 1.04 -1.26 -4.96 113.70 115.27 1jyr s SER 57 Ca 0.00 1.96 -0.29 0.00 0.48 0.00 0.00 55.95 58.10 1jyr s SER 57 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 1jyr s SER 57 CO 0.00 -1.81 1.17 -0.04 0.98 0.00 0.00 173.24 173.53 1jyr s MET 58 N -4.36 4.55 0.00 4.02 1.00 -1.26 -4.91 119.30 118.34 1jyr s MET 58 Ca 0.65 1.94 0.29 0.00 0.00 0.00 0.00 55.69 58.57 1jyr s MET 58 Cb -0.20 -3.15 1.50 0.00 0.00 0.00 0.00 34.83 32.99 1jyr s MET 58 CO 0.47 0.08 2.01 0.00 0.00 0.00 0.00 175.02 177.58 1jyr n ALA 59 N 1.05 2.45 0.16 3.03 0.00 -1.26 -3.78 120.51 122.16 1jyr n ALA 59 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1jyr n ALA 59 Cb 0.44 -1.47 0.09 0.00 0.00 0.00 0.00 19.45 18.51 1jyr n ALA 59 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1jyr n TRP 60 N -1.23 0.19 -3.51 0.00 4.27 -1.26 -4.81 117.44 111.09 1jyr n TRP 60 Ca 0.15 -0.23 -0.40 0.00 -3.89 0.00 0.00 57.50 53.14 1jyr n TRP 60 Cb 0.20 -0.01 -0.10 0.00 -1.36 0.00 0.00 31.31 30.04 1jyr n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1jyr s PHE 61 N -0.92 3.22 -0.60 -2.67 5.36 -1.25 -0.51 117.98 120.62 1jyr s PHE 61 Ca 0.16 -0.09 0.11 0.00 -0.96 0.00 0.00 56.93 56.15 1jyr s PHE 61 Cb 0.10 -2.50 0.30 0.00 -0.34 0.00 0.00 43.02 40.58 1jyr s PHE 61 CO 0.14 -0.33 1.24 1.19 -1.46 0.00 0.00 175.22 176.00 1jyr n PHE 62 N 5.15 0.47 -4.57 10.12 3.01 0.14 -4.98 117.46 126.80 1jyr n PHE 62 Ca -0.12 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.74 1jyr n PHE 62 Cb 0.50 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1jyr n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jyr n GLY 63 N 0.06 0.84 3.36 1.37 0.00 -1.26 -4.30 105.19 105.27 1jyr n GLY 63 Ca 0.12 -0.76 -0.46 0.00 0.00 0.00 0.00 46.02 44.92 1jyr n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jyr s LYS 64 N 0.00 3.64 0.07 1.61 2.20 -1.26 -0.55 119.74 125.45 1jyr s LYS 64 Ca 0.00 -2.34 0.08 0.00 -0.36 0.00 0.00 55.97 53.35 1jyr s LYS 64 Cb 0.00 -4.56 -0.03 0.00 -1.51 0.00 0.00 37.83 31.73 1jyr s LYS 64 CO 0.00 -1.41 -0.19 -1.50 -0.36 0.00 0.00 175.35 171.90 1jyr s ILE 65 N 0.70 2.77 0.57 5.43 2.07 -1.26 -4.99 121.20 126.49 1jyr s ILE 65 Ca 0.22 -1.30 -0.18 0.00 -1.41 0.00 0.00 60.65 57.98 1jyr s ILE 65 Cb -0.09 -2.20 -0.04 0.00 0.13 0.00 0.00 42.46 40.26 1jyr s ILE 65 CO -0.09 0.26 1.13 -2.84 -1.91 0.00 0.00 174.94 171.50 1jyr s PRO 66 N -1.66 3.19 0.23 3.50 0.02 -1.26 -4.81 135.00 134.22 1jyr s PRO 66 Ca 0.15 1.59 -0.08 0.00 0.02 0.00 0.00 61.00 62.69 1jyr s PRO 66 Cb -0.10 -1.98 0.37 0.00 0.02 0.00 0.00 34.50 32.80 1jyr s PRO 66 CO 0.07 -0.97 1.68 -0.09 -0.33 0.00 0.00 177.00 177.36 1jyr h ARG 67 N 0.92 0.22 -0.08 5.54 2.43 -1.99 -0.72 114.38 120.69 1jyr h ARG 67 Ca -0.49 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 1jyr h ARG 67 Cb 1.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1jyr h ARG 67 CO 0.56 0.14 -0.24 0.00 -1.51 0.00 0.00 179.97 178.93 1jyr h ALA 68 N 1.56 1.45 -0.15 2.80 0.00 -2.00 -1.69 119.26 121.24 1jyr h ALA 68 Ca 0.36 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1jyr h ALA 68 Cb 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jyr h ALA 68 CO -0.49 0.39 -0.56 -0.22 0.00 0.00 0.00 179.25 178.38 1jyr h LYS 69 N 0.13 0.44 -0.80 0.00 3.64 -1.64 -1.30 116.57 117.04 1jyr h LYS 69 Ca 0.02 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1jyr h LYS 69 Cb 0.50 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1jyr h LYS 69 CO 0.03 0.88 0.32 0.00 -2.27 0.00 0.00 179.45 178.41 1jyr h ALA 70 N 1.06 1.05 -0.43 5.00 0.00 -0.76 -0.84 119.26 124.34 1jyr h ALA 70 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1jyr h ALA 70 Cb 1.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1jyr h ALA 70 CO 0.10 0.67 0.12 0.93 0.00 0.00 0.00 179.25 181.06 1jyr h GLU 71 N 1.16 0.68 -0.27 0.00 5.08 -1.02 -0.99 114.58 119.23 1jyr h GLU 71 Ca 0.27 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1jyr h GLU 71 Cb 0.22 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1jyr h GLU 71 CO -0.02 0.68 -0.05 1.49 -1.00 0.00 0.00 179.01 180.11 1jyr h GLU 72 N 0.55 0.02 -0.58 2.33 4.81 -0.79 -0.95 114.58 119.97 1jyr h GLU 72 Ca 0.14 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1jyr h GLU 72 Cb 0.29 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1jyr h GLU 72 CO -0.00 0.01 0.23 1.98 -0.73 0.00 0.00 179.01 180.50 1jyr h MET 73 N 0.02 0.87 0.00 1.92 4.05 -1.01 -3.12 114.93 117.66 1jyr h MET 73 Ca 0.13 -0.16 -0.12 0.00 -0.28 0.00 0.00 59.70 59.27 1jyr h MET 73 Cb 0.19 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1jyr h MET 73 CO -0.26 0.75 -0.58 -0.07 0.23 0.00 0.00 176.91 176.98 1jyr h LEU 74 N 0.80 0.00 -2.08 3.39 3.38 -0.99 -3.05 115.31 116.76 1jyr h LEU 74 Ca 0.19 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1jyr h LEU 74 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jyr h LEU 74 CO -0.02 0.58 0.02 0.77 0.09 0.00 0.00 178.44 179.88 1jyr h SER 75 N 0.00 0.00 1.09 -0.43 4.64 -1.11 -1.45 113.55 116.29 1jyr h SER 75 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jyr h SER 75 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1jyr h SER 75 CO 0.07 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.30 1jyr n LYS 76 N -4.40 0.06 -2.70 4.77 5.02 -1.15 -4.85 118.16 114.91 1jyr n LYS 76 Ca -0.02 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1jyr n LYS 76 Cb 0.12 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 1jyr n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jyr s GLN 77 N -3.02 4.07 -0.00 1.97 -1.52 -0.55 -4.98 119.66 115.63 1jyr s GLN 77 Ca 0.13 0.97 0.19 0.00 -1.95 0.00 0.00 55.36 54.70 1jyr s GLN 77 Cb 0.17 -2.20 -0.22 0.00 -0.22 0.00 0.00 33.01 30.54 1jyr s GLN 77 CO 0.55 -0.10 0.81 2.89 -0.25 0.00 0.00 175.29 179.19 1jyr n ARG 78 N -1.00 0.59 -3.94 2.91 1.85 -1.26 -4.94 116.66 110.86 1jyr n ARG 78 Ca 0.06 -0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.56 1jyr n ARG 78 Cb 0.54 -1.42 -0.06 0.00 -1.05 0.00 0.00 32.46 30.47 1jyr n ARG 78 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1jyr s HIS 79 N -2.86 3.51 0.29 2.89 3.76 -1.26 -5.05 115.29 116.58 1jyr s HIS 79 Ca 0.07 0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 55.07 1jyr s HIS 79 Cb 0.15 -1.85 -0.10 0.00 1.11 0.00 0.00 32.58 31.89 1jyr s HIS 79 CO 0.80 0.66 1.32 -0.51 -0.85 0.00 0.00 174.74 176.16 1jyr s ASP 80 N -1.59 6.79 0.00 1.40 1.01 -1.26 -2.59 116.67 120.42 1jyr s ASP 80 Ca 0.22 2.63 0.00 0.00 0.71 0.00 0.00 52.55 56.11 1jyr s ASP 80 Cb -0.12 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1jyr s ASP 80 CO 0.13 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1jyr n GLY 81 N 1.30 1.25 3.71 0.21 0.00 0.12 -4.76 105.19 107.02 1jyr n GLY 81 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1jyr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jyr n ALA 82 N -1.90 1.74 -3.13 4.61 0.00 -1.07 -1.29 120.51 119.48 1jyr n ALA 82 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1jyr n ALA 82 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.04 1jyr n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1jyr s PHE 83 N -0.13 0.26 0.02 0.00 -0.12 -1.21 -0.77 117.98 116.02 1jyr s PHE 83 Ca 0.65 -0.62 -0.19 0.00 -0.05 0.00 0.00 56.93 56.73 1jyr s PHE 83 Cb -0.58 0.19 0.04 0.00 -0.63 0.00 0.00 43.02 42.04 1jyr s PHE 83 CO 0.50 -0.93 0.42 -0.48 -0.05 0.00 0.00 175.22 174.68 1jyr s LEU 84 N -2.98 0.38 -0.13 -1.99 0.05 -0.54 -4.51 118.68 108.97 1jyr s LEU 84 Ca 0.18 0.11 -0.05 0.00 0.05 0.00 0.00 54.13 54.42 1jyr s LEU 84 Cb -0.00 1.72 -0.04 0.00 -2.05 0.00 0.00 46.19 45.82 1jyr s LEU 84 CO 0.05 -0.60 0.05 -0.63 -0.55 0.00 0.00 176.35 174.67 1jyr s ILE 85 N -2.04 4.75 0.15 1.48 -1.09 0.34 -1.25 121.20 123.54 1jyr s ILE 85 Ca -0.08 -0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.32 1jyr s ILE 85 Cb -0.02 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 1jyr s ILE 85 CO 0.01 0.55 -0.11 0.00 -1.23 0.00 0.00 174.94 174.16 1jyr s ARG 86 N -0.43 1.07 -0.15 2.79 1.70 -0.07 -0.69 118.95 123.18 1jyr s ARG 86 Ca 0.09 -1.44 -0.24 0.00 -0.47 0.00 0.00 55.73 53.67 1jyr s ARG 86 Cb -0.12 -0.68 -0.02 0.00 -0.57 0.00 0.00 34.95 33.56 1jyr s ARG 86 CO 0.02 0.09 0.75 -1.21 -1.08 0.00 0.00 175.30 173.87 1jyr s GLU 87 N -3.65 4.31 0.30 3.89 2.02 0.29 -0.86 118.70 125.00 1jyr s GLU 87 Ca 0.16 0.89 -0.29 0.00 0.02 0.00 0.00 54.97 55.75 1jyr s GLU 87 Cb 0.02 -3.55 -0.10 0.00 0.10 0.00 0.00 34.13 30.60 1jyr s GLU 87 CO 0.01 -0.22 1.41 0.45 0.02 0.00 0.00 175.26 176.94 1jyr s SER 88 N 1.09 6.62 0.13 -0.19 0.15 -0.05 -4.36 113.70 117.10 1jyr s SER 88 Ca 0.36 2.75 0.18 0.00 0.70 0.00 0.00 55.95 59.94 1jyr s SER 88 Cb -0.17 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.44 1jyr s SER 88 CO 0.13 -0.69 0.97 1.05 1.20 0.00 0.00 173.24 175.90 1jyr h GLU 89 N 4.16 0.00 0.00 5.44 4.11 -1.89 -3.36 114.58 123.04 1jyr h GLU 89 Ca -0.48 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.89 1jyr h GLU 89 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1jyr h GLU 89 CO 0.72 0.22 -0.79 0.66 0.07 0.00 0.00 179.01 179.89 1jyr h SER 90 N 0.00 0.00 -2.86 3.06 4.64 -1.98 -3.40 113.55 113.01 1jyr h SER 90 Ca -0.10 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.63 1jyr h SER 90 Cb 1.38 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.08 1jyr h SER 90 CO 0.03 0.25 -0.82 0.00 -0.87 0.00 0.00 176.83 175.42 1jyr s ALA 91 N -3.13 1.63 0.21 5.18 0.00 -1.26 -5.11 121.76 119.28 1jyr s ALA 91 Ca 0.01 -2.37 -0.32 0.00 0.00 0.00 0.00 51.96 49.28 1jyr s ALA 91 Cb 0.08 -1.73 -0.14 0.00 0.00 0.00 0.00 23.12 21.33 1jyr s ALA 91 CO 0.76 -2.06 1.43 -2.30 0.00 0.00 0.00 175.76 173.59 1jyr n PRO 92 N 3.46 1.96 -0.05 0.00 -0.02 -1.26 -1.70 135.00 137.39 1jyr n PRO 92 Ca 0.16 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1jyr n PRO 92 Cb 0.39 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1jyr n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jyr n GLY 93 N 2.50 0.72 3.81 -1.23 0.00 -1.26 -5.06 105.19 104.67 1jyr n GLY 93 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1jyr n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jyr s ASP 94 N -2.61 5.62 0.10 1.61 1.01 -0.69 -5.02 116.67 116.71 1jyr s ASP 94 Ca 0.00 -0.05 0.04 0.00 0.71 0.00 0.00 52.55 53.25 1jyr s ASP 94 Cb 0.00 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.37 1jyr s ASP 94 CO 0.00 0.11 0.06 -0.36 0.21 0.00 0.00 175.17 175.18 1jyr s PHE 95 N -1.62 3.09 0.05 4.23 0.40 -1.26 -0.87 117.98 122.01 1jyr s PHE 95 Ca 0.31 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.73 1jyr s PHE 95 Cb -0.11 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 1jyr s PHE 95 CO 0.24 0.51 -0.21 -1.12 0.70 0.00 0.00 175.22 175.33 1jyr s SER 96 N -2.52 2.54 -0.19 1.36 0.01 -0.04 -1.15 113.70 113.71 1jyr s SER 96 Ca 0.28 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.97 1jyr s SER 96 Cb -0.11 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 1jyr s SER 96 CO 0.21 0.16 -0.05 -0.22 0.41 0.00 0.00 173.24 173.75 1jyr s LEU 97 N -1.22 2.98 -0.08 2.44 0.20 0.36 -0.89 118.68 122.47 1jyr s LEU 97 Ca 0.08 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1jyr s LEU 97 Cb -0.09 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 1jyr s LEU 97 CO 0.02 0.06 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.54 1jyr s SER 98 N 1.01 3.86 -0.04 3.68 0.01 -0.38 -0.42 113.70 121.42 1jyr s SER 98 Ca 0.00 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 1jyr s SER 98 Cb -0.15 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 64.98 1jyr s SER 98 CO 0.00 0.27 0.15 0.68 0.41 0.00 0.00 173.24 174.75 1jyr s VAL 99 N -0.25 0.03 -0.06 3.43 -7.23 -0.32 -1.47 120.40 114.53 1jyr s VAL 99 Ca 0.01 -0.25 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1jyr s VAL 99 Cb -0.13 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 1jyr s VAL 99 CO 0.03 -0.14 0.40 -0.75 -0.31 0.00 0.00 175.10 174.33 1jyr s LYS 100 N -0.44 4.08 -0.19 4.82 2.20 0.05 -0.73 119.74 129.52 1jyr s LYS 100 Ca -0.05 0.35 -0.10 0.00 -0.36 0.00 0.00 55.97 55.81 1jyr s LYS 100 Cb -0.03 -3.31 0.07 0.00 -1.51 0.00 0.00 37.83 33.04 1jyr s LYS 100 CO 0.01 0.47 0.46 0.12 -0.36 0.00 0.00 175.35 176.04 1jyr s PHE 101 N -0.35 -0.72 -1.24 4.03 2.19 -0.25 0.15 117.98 121.79 1jyr s PHE 101 Ca 0.23 1.48 -0.00 0.00 0.33 0.00 0.00 56.93 58.96 1jyr s PHE 101 Cb -0.15 0.34 -0.00 0.00 -1.31 0.00 0.00 43.02 41.89 1jyr s PHE 101 CO 0.11 -0.40 0.87 0.41 1.83 0.00 0.00 175.22 178.03 1jyr n GLY 102 N 4.52 -0.34 2.75 13.12 0.00 -1.26 -2.11 105.19 121.87 1jyr n GLY 102 Ca -0.20 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1jyr n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jyr n ASN 103 N -3.10 -4.98 -3.97 1.61 4.13 -1.26 -4.97 115.26 102.72 1jyr n ASN 103 Ca -0.29 -0.09 -0.09 0.00 1.68 0.00 0.00 54.58 55.78 1jyr n ASN 103 Cb 0.67 -4.12 -0.07 0.00 -1.54 0.00 0.00 39.78 34.72 1jyr n ASN 103 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1jyr s ASP 104 N -2.34 0.09 -0.08 6.41 2.15 -0.90 -5.13 116.67 116.88 1jyr s ASP 104 Ca 0.15 -0.88 0.04 0.00 0.43 0.00 0.00 52.55 52.28 1jyr s ASP 104 Cb -0.07 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 1jyr s ASP 104 CO 0.19 -0.85 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.45 1jyr s VAL 105 N -3.96 1.69 0.12 1.11 1.01 -1.26 -1.09 120.40 118.01 1jyr s VAL 105 Ca 0.16 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1jyr s VAL 105 Cb 0.04 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1jyr s VAL 105 CO -0.01 0.48 -0.19 -1.10 0.00 0.00 0.00 175.10 174.27 1jyr s GLN 106 N 0.35 1.73 -0.05 2.72 -0.21 0.09 -4.95 119.66 119.35 1jyr s GLN 106 Ca -0.14 -1.20 0.07 0.00 0.02 0.00 0.00 55.36 54.10 1jyr s GLN 106 Cb -0.16 -2.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.75 1jyr s GLN 106 CO 0.06 0.48 -0.25 -1.01 -2.12 0.00 0.00 175.29 172.44 1jyr s HIS 107 N -1.14 2.42 0.08 0.91 3.76 -1.26 -1.17 115.29 118.89 1jyr s HIS 107 Ca 0.18 -0.66 0.09 0.00 -0.15 0.00 0.00 55.06 54.52 1jyr s HIS 107 Cb -0.10 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.98 1jyr s HIS 107 CO 0.10 -0.17 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.52 1jyr s PHE 108 N -0.27 2.04 -0.07 1.40 0.40 0.44 -4.97 117.98 116.95 1jyr s PHE 108 Ca -0.00 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 1jyr s PHE 108 Cb -0.13 -1.16 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 1jyr s PHE 108 CO 0.03 0.19 0.31 0.21 0.70 0.00 0.00 175.22 176.66 1jyr s LYS 109 N -1.62 3.85 -0.29 0.44 2.20 -1.26 -0.49 119.74 122.58 1jyr s LYS 109 Ca 0.10 0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.64 1jyr s LYS 109 Cb -0.10 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1jyr s LYS 109 CO 0.04 0.62 0.93 0.08 -0.36 0.00 0.00 175.35 176.65 1jyr s VAL 110 N -0.73 4.69 0.39 4.02 1.01 -0.30 -4.80 120.40 124.68 1jyr s VAL 110 Ca 0.20 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 1jyr s VAL 110 Cb -0.15 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 1jyr s VAL 110 CO 0.09 -0.29 0.76 -0.76 0.00 0.00 0.00 175.10 174.89 1jyr s LEU 111 N 3.21 3.87 -0.02 3.92 1.43 -0.04 -4.54 118.68 126.51 1jyr s LEU 111 Ca 0.39 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 1jyr s LEU 111 Cb -0.14 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1jyr s LEU 111 CO 0.12 -0.36 -0.09 -0.60 0.23 0.00 0.00 176.35 175.64 1jyr s ARG 112 N -3.71 0.88 0.00 1.70 3.52 -1.26 -1.03 118.95 119.05 1jyr s ARG 112 Ca 0.51 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1jyr s ARG 112 Cb -0.10 -0.83 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 1jyr s ARG 112 CO 0.29 0.14 0.00 -0.40 -0.81 0.00 0.00 175.30 174.52 1jyr n ASP 113 N 3.16 0.38 0.16 -2.12 5.68 -0.57 -4.90 116.55 118.34 1jyr n ASP 113 Ca -0.17 -0.84 0.13 0.00 -0.50 0.00 0.00 54.79 53.41 1jyr n ASP 113 Cb 0.55 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.09 1jyr n ASP 113 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jyr h GLY 114 N 0.00 0.00 -1.96 6.12 0.00 -2.01 -0.25 103.07 104.97 1jyr h GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jyr h GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1jyr n ALA 115 N -1.82 2.45 -0.70 3.60 0.00 -1.26 -4.94 120.51 117.85 1jyr n ALA 115 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1jyr n ALA 115 Cb 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1jyr n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyr n GLY 116 N 1.41 0.64 3.89 0.00 0.00 -0.11 -5.04 105.19 105.99 1jyr n GLY 116 Ca 0.18 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1jyr n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyr s LYS 117 N -0.46 3.70 0.05 1.61 1.02 -1.26 -4.74 119.74 119.66 1jyr s LYS 117 Ca 0.00 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.25 1jyr s LYS 117 Cb 0.00 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1jyr s LYS 117 CO 0.00 0.05 0.14 0.71 -0.92 0.00 0.00 175.35 175.33 1jyr s TYR 118 N -2.29 3.36 0.11 3.18 1.51 -0.01 -1.51 117.35 121.70 1jyr s TYR 118 Ca 0.48 0.19 -0.25 0.00 -1.01 0.00 0.00 57.07 56.47 1jyr s TYR 118 Cb -0.10 -1.71 0.07 0.00 -0.11 0.00 0.00 41.96 40.11 1jyr s TYR 118 CO 0.32 0.56 0.81 -0.59 -1.11 0.00 0.00 175.55 175.55 1jyr s PHE 119 N -1.39 -0.32 -0.18 2.71 -0.12 -0.20 -0.90 117.98 117.58 1jyr s PHE 119 Ca 0.30 0.08 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 1jyr s PHE 119 Cb -0.12 0.59 -0.11 0.00 -0.63 0.00 0.00 43.02 42.74 1jyr s PHE 119 CO 0.22 -0.78 -0.17 1.28 -0.05 0.00 0.00 175.22 175.72 1jyr n LEU 120 N -0.36 2.70 0.00 -1.99 4.77 -1.26 -0.86 117.00 120.00 1jyr n LEU 120 Ca -0.09 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1jyr n LEU 120 Cb 0.62 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jyr n LEU 120 CO 0.12 0.73 0.00 0.79 -1.33 0.00 0.00 177.39 177.71 1jyr n TRP 121 N -3.17 -0.03 0.00 -1.77 7.02 -1.26 -4.87 117.44 113.36 1jyr n TRP 121 Ca -0.33 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.16 1jyr n TRP 121 Cb 0.83 0.20 0.00 0.00 -2.42 0.00 0.00 31.31 29.92 1jyr n TRP 121 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1jyr n VAL 122 N -2.53 0.00 -2.73 -0.99 0.24 -1.26 -5.06 118.33 106.00 1jyr n VAL 122 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1jyr n VAL 122 Cb 0.00 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.15 1jyr n VAL 122 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jyr s VAL 123 N -1.31 4.71 0.01 3.34 1.01 -1.26 -5.01 120.40 121.89 1jyr s VAL 123 Ca 0.00 2.05 0.03 0.00 0.00 0.00 0.00 61.98 64.05 1jyr s VAL 123 Cb 0.00 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1jyr s VAL 123 CO 0.00 0.23 -0.03 -0.54 0.00 0.00 0.00 175.10 174.77 1jyr s LYS 124 N 0.56 2.66 0.06 2.72 -0.14 -1.26 -4.34 119.74 119.99 1jyr s LYS 124 Ca 0.49 -0.69 0.03 0.00 -1.36 0.00 0.00 55.97 54.45 1jyr s LYS 124 Cb -0.22 -2.58 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 1jyr s LYS 124 CO 0.28 0.60 -0.10 -0.06 -0.76 0.00 0.00 175.35 175.32 1jyr s PHE 125 N -1.08 0.90 -1.21 3.18 0.40 -0.08 -4.94 117.98 115.15 1jyr s PHE 125 Ca 0.19 -0.54 0.28 0.00 -0.60 0.00 0.00 56.93 56.27 1jyr s PHE 125 Cb -0.11 -0.52 1.15 0.00 0.51 0.00 0.00 43.02 44.06 1jyr s PHE 125 CO 0.10 -0.04 1.84 0.09 0.70 0.00 0.00 175.22 177.92 1jyr n ASN 126 N 1.16 0.19 -3.70 1.36 3.02 -1.26 -0.83 115.26 115.20 1jyr n ASN 126 Ca -0.21 0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.28 1jyr n ASN 126 Cb 0.55 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.43 1jyr n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1jyr s SER 127 N -2.82 -0.16 0.18 6.41 1.04 -1.26 -4.86 113.70 112.23 1jyr s SER 127 Ca 0.19 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 1jyr s SER 127 Cb 0.19 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.85 1jyr s SER 127 CO 0.54 -0.86 1.75 -0.07 0.98 0.00 0.00 173.24 175.59 1jyr h LEU 128 N 2.42 0.81 -0.94 2.42 3.38 -1.98 -2.07 115.31 119.35 1jyr h LEU 128 Ca -0.33 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1jyr h LEU 128 Cb 1.25 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1jyr h LEU 128 CO 0.48 0.72 0.60 -1.13 0.09 0.00 0.00 178.44 179.20 1jyr h ASN 129 N 0.84 0.95 0.03 -0.43 -0.00 -1.99 -0.15 115.58 114.82 1jyr h ASN 129 Ca 0.21 0.01 -0.15 0.00 -0.00 0.00 0.00 56.30 56.37 1jyr h ASN 129 Cb 0.14 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.26 1jyr h ASN 129 CO -0.02 0.61 -0.51 -0.33 -0.00 0.00 0.00 177.43 177.17 1jyr h GLU 130 N 1.09 0.54 -0.30 6.67 5.08 -1.91 -1.51 114.58 124.24 1jyr h GLU 130 Ca 0.41 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1jyr h GLU 130 Cb 0.17 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1jyr h GLU 130 CO -0.17 0.92 0.03 1.25 -1.00 0.00 0.00 179.01 180.04 1jyr h LEU 131 N 0.42 0.49 -0.49 1.33 5.85 -0.80 -1.71 115.31 120.40 1jyr h LEU 131 Ca 0.02 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1jyr h LEU 131 Cb 1.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1jyr h LEU 131 CO 0.10 0.65 0.32 0.58 -0.34 0.00 0.00 178.44 179.74 1jyr h VAL 132 N 0.32 1.13 -0.02 1.05 2.07 -0.90 -2.51 116.25 117.40 1jyr h VAL 132 Ca 0.09 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 1jyr h VAL 132 Cb 0.37 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1jyr h VAL 132 CO 0.01 0.13 -0.65 0.44 0.02 0.00 0.00 177.57 177.52 1jyr h ASP 133 N 0.66 0.08 -0.86 0.57 3.32 -1.16 -2.02 116.42 117.01 1jyr h ASP 133 Ca 0.18 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1jyr h ASP 133 Cb -0.06 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1jyr h ASP 133 CO -0.04 0.71 0.47 0.22 -1.72 0.00 0.00 179.24 178.88 1jyr h TYR 134 N 0.05 1.19 -0.05 4.55 3.20 -1.20 -2.53 116.97 122.17 1jyr h TYR 134 Ca -0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1jyr h TYR 134 Cb 1.16 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1jyr h TYR 134 CO 0.01 0.82 0.00 0.72 -1.64 0.00 0.00 178.16 178.07 1jyr n HIS 135 N -4.36 0.07 0.32 -3.82 8.25 -0.79 -2.24 115.22 112.64 1jyr n HIS 135 Ca 0.09 -0.03 0.14 0.00 -0.26 0.00 0.00 57.72 57.65 1jyr n HIS 135 Cb 0.10 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.61 1jyr n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jyr h ARG 136 N 0.48 0.00 0.00 -0.41 3.08 -1.16 -0.99 114.38 115.38 1jyr h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jyr h ARG 136 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jyr h ARG 136 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1jyr n SER 137 N -2.89 0.71 -3.95 7.04 3.41 -0.95 -4.35 113.62 112.64 1jyr n SER 137 Ca 0.03 -1.26 -0.20 0.00 -0.26 0.00 0.00 58.87 57.18 1jyr n SER 137 Cb 0.42 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.21 1jyr n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1jyr s THR 138 N -0.26 0.66 0.54 6.66 2.01 -1.05 -5.10 115.64 119.09 1jyr s THR 138 Ca 0.00 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 61.53 1jyr s THR 138 Cb 0.00 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1jyr s THR 138 CO 0.00 0.23 1.29 -0.55 -0.69 0.00 0.00 174.62 174.90 1jyr s SER 139 N 0.47 5.44 0.25 3.53 0.15 -1.26 -4.39 113.70 117.89 1jyr s SER 139 Ca -0.07 2.60 0.25 0.00 0.70 0.00 0.00 55.95 59.43 1jyr s SER 139 Cb -0.11 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 62.10 1jyr s SER 139 CO 0.01 -1.44 1.57 -0.37 1.20 0.00 0.00 173.24 174.21 1jyr h VAL 140 N 1.43 0.00 -3.02 4.45 -1.51 -1.51 -3.46 116.25 112.64 1jyr h VAL 140 Ca -0.50 -0.66 -0.61 0.00 -1.23 0.00 0.00 66.70 63.69 1jyr h VAL 140 Cb 1.29 1.53 -0.10 0.00 -2.13 0.00 0.00 31.29 31.88 1jyr h VAL 140 CO 0.57 0.00 -0.62 -0.55 -1.23 0.00 0.00 177.57 175.74 1jyr s SER 141 N -4.98 5.22 0.17 4.19 0.15 -1.26 -5.00 113.70 112.18 1jyr s SER 141 Ca 0.08 -0.18 0.23 0.00 0.70 0.00 0.00 55.95 56.78 1jyr s SER 141 Cb 0.10 -1.29 0.11 0.00 -1.71 0.00 0.00 66.02 63.24 1jyr s SER 141 CO 0.66 0.12 1.13 0.03 1.20 0.00 0.00 173.24 176.38 1jyr h ARG 142 N 2.94 0.00 -0.00 5.44 3.08 -2.01 -3.38 114.38 120.45 1jyr h ARG 142 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1jyr h ARG 142 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1jyr h ARG 142 CO 0.62 0.00 -0.19 0.27 -1.07 0.00 0.00 179.97 179.59 1jyr n ASN 143 N -2.45 0.76 -4.11 7.04 2.04 -1.26 -5.03 115.26 112.25 1jyr n ASN 143 Ca 0.01 -0.88 -0.10 0.00 -0.44 0.00 0.00 54.58 53.18 1jyr n ASN 143 Cb 0.51 0.64 -0.10 0.00 -2.53 0.00 0.00 39.78 38.30 1jyr n ASN 143 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1jyr s GLN 144 N -1.24 0.67 -0.56 -3.83 -1.52 -1.26 -5.10 119.66 106.81 1jyr s GLN 144 Ca 0.05 -1.15 -0.19 0.00 -1.95 0.00 0.00 55.36 52.12 1jyr s GLN 144 Cb 0.05 -0.05 0.08 0.00 -0.22 0.00 0.00 33.01 32.87 1jyr s GLN 144 CO 0.20 -0.04 0.69 -0.65 -0.25 0.00 0.00 175.29 175.24 1jyr s GLN 145 N -3.31 3.09 -0.25 2.91 -0.21 -1.26 -4.17 119.66 116.45 1jyr s GLN 145 Ca 0.04 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.34 1jyr s GLN 145 Cb 0.03 -4.19 0.07 0.00 1.00 0.00 0.00 33.01 29.92 1jyr s GLN 145 CO -0.05 -1.42 0.00 0.42 -2.12 0.00 0.00 175.29 172.11 1jyr s ILE 146 N 2.77 1.30 -0.15 1.08 1.01 -1.26 -5.01 121.20 120.94 1jyr s ILE 146 Ca 0.14 -1.25 -0.05 0.00 0.00 0.00 0.00 60.65 59.49 1jyr s ILE 146 Cb -0.21 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1jyr s ILE 146 CO 0.09 -0.29 0.03 -0.36 0.00 0.00 0.00 174.94 174.41 1jyr s PHE 147 N 1.47 3.20 0.32 3.97 0.40 -1.26 -1.37 117.98 124.71 1jyr s PHE 147 Ca -0.00 0.05 -0.29 0.00 -0.60 0.00 0.00 56.93 56.09 1jyr s PHE 147 Cb -0.18 -1.97 -0.10 0.00 0.51 0.00 0.00 43.02 41.28 1jyr s PHE 147 CO -0.10 0.23 1.26 -0.51 0.70 0.00 0.00 175.22 176.79 1jyr s LEU 148 N -0.03 4.46 -0.03 -0.37 1.43 -0.37 -4.31 118.68 119.45 1jyr s LEU 148 Ca 0.05 2.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.74 1jyr s LEU 148 Cb -0.12 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1jyr s LEU 148 CO 0.02 -0.45 -0.04 -0.13 0.23 0.00 0.00 176.35 175.98 1jyr s ARG 149 N -1.66 0.56 0.60 1.70 1.81 -0.41 -4.47 118.95 117.08 1jyr s ARG 149 Ca 0.48 -0.09 -0.17 0.00 -1.72 0.00 0.00 55.73 54.23 1jyr s ARG 149 Cb -0.38 -0.60 -0.03 0.00 -0.45 0.00 0.00 34.95 33.49 1jyr s ARG 149 CO 0.50 -0.02 1.12 -0.51 -0.68 0.00 0.00 175.30 175.71 1jyr s ASP 150 N 0.57 5.44 0.00 0.23 1.01 -1.26 -3.32 116.67 119.33 1jyr s ASP 150 Ca -0.07 2.10 0.30 0.00 0.71 0.00 0.00 52.55 55.59 1jyr s ASP 150 Cb -0.10 -2.57 1.49 0.00 1.01 0.00 0.00 42.92 42.75 1jyr s ASP 150 CO -0.00 -1.41 1.99 -0.38 0.21 0.00 0.00 175.17 175.58