#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1win s SER 2 N 0.00 2.17 -0.25 1.61 0.15 -1.26 -5.08 113.70 111.03 1win s SER 2 Ca 0.00 -0.37 -0.28 0.00 0.70 0.00 0.00 55.95 56.00 1win s SER 2 Cb 0.00 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 1win s SER 2 CO 0.00 0.05 2.11 -0.55 1.20 0.00 0.00 173.24 176.05 1win s SER 3 N 0.71 5.54 0.11 5.45 0.15 -1.26 -4.94 113.70 119.46 1win s SER 3 Ca -0.13 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1win s SER 3 Cb -0.16 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1win s SER 3 CO 0.03 -1.92 0.01 0.61 1.20 0.00 0.00 173.24 173.17 1win n GLY 4 N 5.68 4.02 3.24 9.45 0.00 -1.26 -5.17 105.19 121.16 1win n GLY 4 Ca 0.28 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 1win n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1win s SER 5 N -1.62 2.11 0.08 1.61 0.15 -1.26 -5.15 113.70 109.62 1win s SER 5 Ca 0.01 -0.71 -0.27 0.00 0.70 0.00 0.00 55.95 55.68 1win s SER 5 Cb 0.00 -0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.31 1win s SER 5 CO 0.01 -0.05 1.13 -0.94 1.20 0.00 0.00 173.24 174.59 1win s SER 6 N -2.08 -0.08 -0.42 5.45 1.04 -1.26 -5.01 113.70 111.34 1win s SER 6 Ca 0.05 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.22 1win s SER 6 Cb -0.08 0.33 0.18 0.00 0.10 0.00 0.00 66.02 66.55 1win s SER 6 CO 0.03 -0.63 0.67 -0.83 0.98 0.00 0.00 173.24 173.47 1win s GLY 7 N -3.11 -1.29 -1.29 7.32 0.00 -1.26 -4.96 107.32 102.73 1win s GLY 7 Ca 0.16 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.92 1win s GLY 7 CO 0.00 3.71 0.37 -0.18 0.00 0.00 0.00 173.10 177.00 1win n GLN 8 N 4.14 -0.82 -3.59 2.90 7.27 -1.26 -4.83 117.38 121.18 1win n GLN 8 Ca 0.12 0.09 -0.16 0.00 0.07 0.00 0.00 57.00 57.13 1win n GLN 8 Cb 0.57 -3.21 -0.07 0.00 2.41 0.00 0.00 30.24 29.95 1win n GLN 8 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1win s ARG 9 N -5.47 0.91 0.85 3.69 3.52 -1.26 -5.16 118.95 116.03 1win s ARG 9 Ca 0.51 0.62 -0.14 0.00 -0.13 0.00 0.00 55.73 56.59 1win s ARG 9 Cb -0.30 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 1win s ARG 9 CO 0.72 -0.20 0.55 1.51 -0.81 0.00 0.00 175.30 177.07 1win n ILE 10 N 1.89 0.89 -3.82 4.11 3.06 -1.26 -4.93 119.36 119.30 1win n ILE 10 Ca -0.16 -0.27 -0.35 0.00 -2.50 0.00 0.00 62.75 59.47 1win n ILE 10 Cb 0.56 -0.73 -0.12 0.00 0.54 0.00 0.00 39.64 39.89 1win n ILE 10 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1win s SER 11 N -1.83 5.15 0.06 9.51 0.15 -1.26 -4.95 113.70 120.52 1win s SER 11 Ca 0.62 -2.14 -0.18 0.00 0.70 0.00 0.00 55.95 54.95 1win s SER 11 Cb -0.27 -1.79 -0.13 0.00 -1.71 0.00 0.00 66.02 62.12 1win s SER 11 CO 0.62 -0.50 1.35 0.25 1.20 0.00 0.00 173.24 176.17 1win h LEU 12 N 7.86 0.54 -6.54 3.45 6.46 -1.99 -3.46 115.31 121.64 1win h LEU 12 Ca -0.10 -0.50 -0.44 0.00 -0.12 0.00 0.00 57.88 56.71 1win h LEU 12 Cb 1.03 -0.15 0.12 0.00 -0.73 0.00 0.00 40.66 40.93 1win h LEU 12 CO 0.67 0.94 -0.78 -1.84 -0.62 0.00 0.00 178.44 176.81 1win n GLU 13 N -4.41 0.00 -1.42 1.25 0.28 -1.26 -4.35 120.64 110.73 1win n GLU 13 Ca -0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.57 1win n GLU 13 Cb 0.43 -0.73 0.05 0.00 1.43 0.00 0.00 31.44 32.63 1win n GLU 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1win n ILE 14 N -0.95 2.31 -4.58 3.84 5.41 -1.26 -4.79 119.36 119.34 1win n ILE 14 Ca 0.07 -0.47 -0.24 0.00 1.00 0.00 0.00 62.75 63.11 1win n ILE 14 Cb 0.32 -0.76 -0.16 0.00 -0.71 0.00 0.00 39.64 38.33 1win n ILE 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1win s MET 15 N -2.39 1.52 -0.43 0.38 0.23 0.03 -5.01 119.30 113.63 1win s MET 15 Ca 0.69 -0.42 -0.17 0.00 -1.03 0.00 0.00 55.69 54.75 1win s MET 15 Cb -0.41 -1.30 0.02 0.00 -1.53 0.00 0.00 34.83 31.61 1win s MET 15 CO 0.54 0.09 0.45 0.99 -2.03 0.00 0.00 175.02 175.07 1win s THR 16 N 0.42 5.07 -0.18 3.16 2.01 -1.26 -1.94 115.64 122.92 1win s THR 16 Ca -0.09 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1win s THR 16 Cb -0.13 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1win s THR 16 CO 0.02 -0.45 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.68 1win s LEU 17 N 2.17 2.94 -0.56 4.42 1.02 -1.08 -5.01 118.68 122.59 1win s LEU 17 Ca 0.12 -0.30 -0.11 0.00 0.02 0.00 0.00 54.13 53.86 1win s LEU 17 Cb -0.17 -1.71 0.14 0.00 0.02 0.00 0.00 46.19 44.47 1win s LEU 17 CO 0.14 0.08 0.45 -1.10 0.02 0.00 0.00 176.35 175.94 1win s GLN 18 N 0.87 2.76 -0.71 1.70 1.11 -1.26 -2.63 119.66 121.50 1win s GLN 18 Ca -0.02 -1.94 -0.26 0.00 0.01 0.00 0.00 55.36 53.15 1win s GLN 18 Cb -0.15 -4.06 -0.03 0.00 -1.01 0.00 0.00 33.01 27.77 1win s GLN 18 CO 0.01 -1.23 1.90 -1.25 0.01 0.00 0.00 175.29 174.72 1win s PRO 19 N 1.07 2.59 -0.07 2.91 0.04 -1.25 -4.91 135.00 135.39 1win s PRO 19 Ca 0.08 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.44 1win s PRO 19 Cb -0.24 -4.61 -0.03 0.00 0.04 0.00 0.00 34.50 29.66 1win s PRO 19 CO -0.02 -2.95 -0.03 -0.98 0.04 0.00 0.00 177.00 173.06 1win s ARG 20 N 7.05 2.87 -0.15 4.56 1.70 -0.96 -4.01 118.95 130.02 1win s ARG 20 Ca 0.68 -0.47 -0.04 0.00 -0.47 0.00 0.00 55.73 55.43 1win s ARG 20 Cb -0.11 -2.70 0.07 0.00 -0.57 0.00 0.00 34.95 31.64 1win s ARG 20 CO 0.14 0.68 0.17 0.00 -1.08 0.00 0.00 175.30 175.21 1win s GLU 22 N 2.27 2.83 -0.78 0.00 -1.05 -1.26 -2.68 118.70 118.03 1win s GLU 22 Ca 0.04 -0.94 -0.02 0.00 -0.15 0.00 0.00 54.97 53.90 1win s GLU 22 Cb -0.14 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1win s GLU 22 CO -0.09 0.46 0.67 -3.47 0.95 0.00 0.00 175.26 173.78 1win n ASP 23 N -0.47 -3.17 -4.36 0.83 2.03 -0.58 -4.95 116.55 105.88 1win n ASP 23 Ca -0.08 -0.36 -0.41 0.00 0.52 0.00 0.00 54.79 54.46 1win n ASP 23 Cb 0.55 -3.34 -0.11 0.00 -0.72 0.00 0.00 41.12 37.50 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1win s VAL 24 N -3.21 4.52 -0.42 5.18 -7.23 -1.05 -4.76 120.40 113.43 1win s VAL 24 Ca 0.15 -0.95 -0.28 0.00 -1.81 0.00 0.00 61.98 59.10 1win s VAL 24 Cb -0.07 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 1win s VAL 24 CO 0.45 -0.28 1.91 -1.61 -0.31 0.00 0.00 175.10 175.26 1win s GLU 25 N 1.53 2.98 0.82 4.82 2.02 -1.24 -1.49 118.70 128.14 1win s GLU 25 Ca 0.02 1.24 -0.13 0.00 0.02 0.00 0.00 54.97 56.12 1win s GLU 25 Cb -0.20 -4.31 0.20 0.00 0.10 0.00 0.00 34.13 29.92 1win s GLU 25 CO 0.06 -2.28 0.45 0.25 0.02 0.00 0.00 175.26 173.76 1win n THR 26 N 7.45 0.00 -0.17 3.63 -2.24 0.72 -4.59 114.28 119.07 1win n THR 26 Ca 0.24 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.01 1win n THR 26 Cb 0.49 -0.51 0.08 0.00 -2.10 0.00 0.00 70.33 68.29 1win n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1win h ALA 27 N -2.80 0.61 -0.59 6.98 0.00 -0.21 -1.63 119.26 121.63 1win h ALA 27 Ca -0.20 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1win h ALA 27 Cb 0.69 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1win h ALA 27 CO 0.12 -0.30 0.03 1.05 0.00 0.00 0.00 179.25 180.15 1win h GLU 28 N 0.25 1.01 0.00 0.00 4.11 -1.84 -3.47 114.58 114.64 1win h GLU 28 Ca 0.27 -0.31 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1win h GLU 28 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1win h GLU 28 CO -0.35 0.99 0.00 0.41 0.07 0.00 0.00 179.01 180.12 1win n GLY 29 N -0.46 0.76 2.89 1.06 0.00 -0.61 -5.15 105.19 103.68 1win n GLY 29 Ca 0.03 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1win n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 30 N 0.00 0.70 -0.04 1.61 1.01 -1.26 -4.78 120.40 117.64 1win s VAL 30 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1win s VAL 30 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1win s VAL 30 CO 0.00 0.28 1.39 0.00 0.00 0.00 0.00 175.10 176.78 1win s ALA 31 N 1.23 3.59 0.34 5.51 0.00 -1.24 -0.20 121.76 131.00 1win s ALA 31 Ca -0.05 0.79 0.09 0.00 0.00 0.00 0.00 51.96 52.78 1win s ALA 31 Cb -0.14 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 1win s ALA 31 CO -0.02 -1.02 -0.07 -0.51 0.00 0.00 0.00 175.76 174.14 1win s LEU 32 N 2.82 2.70 -0.21 0.00 2.01 -0.56 -4.51 118.68 120.94 1win s LEU 32 Ca 0.63 -1.23 0.01 0.00 0.01 0.00 0.00 54.13 53.55 1win s LEU 32 Cb -0.29 -0.91 0.04 0.00 0.01 0.00 0.00 46.19 45.04 1win s LEU 32 CO 0.24 -0.27 -0.13 -0.89 1.01 0.00 0.00 176.35 176.31 1win s THR 33 N -2.70 1.88 -0.23 5.49 2.01 0.43 -1.53 115.64 120.98 1win s THR 33 Ca 0.33 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1win s THR 33 Cb 0.04 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.71 1win s THR 33 CO 0.16 0.21 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.54 1win s VAL 34 N 1.29 1.62 0.07 3.82 1.01 -1.09 -0.74 120.40 126.39 1win s VAL 34 Ca -0.02 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1win s VAL 34 Cb -0.16 -1.84 -0.17 0.00 0.00 0.00 0.00 36.38 34.20 1win s VAL 34 CO -0.08 -0.05 1.64 0.74 0.00 0.00 0.00 175.10 177.35 1win h THR 35 N 6.64 0.59 -2.82 3.92 2.02 -1.56 -2.17 112.91 119.53 1win h THR 35 Ca -0.20 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1win h THR 35 Cb 1.07 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1win h THR 35 CO 0.43 0.01 -0.70 0.61 0.37 0.00 0.00 175.52 176.23 1win n GLY 36 N -1.27 -4.11 2.97 2.16 0.00 -1.26 -2.26 105.19 101.42 1win n GLY 36 Ca -0.11 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1win n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 37 N -3.65 -0.42 0.04 1.61 1.01 0.92 -3.82 120.40 116.09 1win s VAL 37 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1win s VAL 37 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1win s VAL 37 CO 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 175.10 175.12 1win s ALA 38 N 2.42 0.36 0.11 5.51 0.00 -1.08 0.06 121.76 129.14 1win s ALA 38 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1win s ALA 38 Cb -0.13 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1win s ALA 38 CO -0.09 -0.19 0.11 -1.14 0.00 0.00 0.00 175.76 174.45 1win s GLN 39 N -2.25 2.92 0.11 0.00 0.74 0.20 -2.63 119.66 118.76 1win s GLN 39 Ca -0.07 -0.75 -0.19 0.00 0.05 0.00 0.00 55.36 54.39 1win s GLN 39 Cb -0.05 -2.71 0.05 0.00 1.10 0.00 0.00 33.01 31.40 1win s GLN 39 CO -0.03 0.53 0.47 0.54 -0.55 0.00 0.00 175.29 176.25 1win s VAL 40 N -1.55 0.04 -0.07 1.34 0.11 -0.82 -2.53 120.40 116.93 1win s VAL 40 Ca 0.30 -0.36 -0.28 0.00 -2.93 0.00 0.00 61.98 58.71 1win s VAL 40 Cb -0.11 -1.07 0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1win s VAL 40 CO 0.23 -0.20 0.64 -1.59 -3.33 0.00 0.00 175.10 170.85 1win s LYS 41 N -3.34 0.98 0.29 1.54 -2.85 -1.25 -0.79 119.74 114.32 1win s LYS 41 Ca -0.00 0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.98 1win s LYS 41 Cb 0.00 0.46 -0.10 0.00 -2.06 0.00 0.00 37.83 36.14 1win s LYS 41 CO -0.09 -0.28 1.30 0.42 0.10 0.00 0.00 175.35 176.80 1win s ILE 42 N -0.99 2.88 0.73 3.79 1.09 -1.26 -3.75 121.20 123.69 1win s ILE 42 Ca -0.10 0.83 -0.12 0.00 -1.10 0.00 0.00 60.65 60.16 1win s ILE 42 Cb -0.01 -3.53 0.18 0.00 -1.06 0.00 0.00 42.46 38.04 1win s ILE 42 CO 0.08 0.18 0.66 0.23 -0.10 0.00 0.00 174.94 175.98 1win n MET 43 N 1.38 -2.23 -3.53 2.79 2.81 -1.20 -4.99 117.12 112.15 1win n MET 43 Ca 0.02 -1.05 -0.23 0.00 -1.81 0.00 0.00 57.70 54.63 1win n MET 43 Cb 0.42 -0.97 -0.01 0.00 -0.71 0.00 0.00 33.22 31.95 1win n MET 43 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1win s THR 44 N -2.20 5.15 -0.36 2.03 2.01 -1.26 -5.00 115.64 116.01 1win s THR 44 Ca 0.42 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.94 1win s THR 44 Cb -0.04 -3.85 0.67 0.00 0.01 0.00 0.00 72.50 69.29 1win s THR 44 CO 0.32 -0.48 1.68 -1.84 -0.69 0.00 0.00 174.62 173.61 1win n GLU 45 N -1.62 3.50 -0.33 4.92 0.28 -1.26 -4.65 120.64 121.47 1win n GLU 45 Ca -0.06 -2.72 0.28 0.00 -0.16 0.00 0.00 57.16 54.51 1win n GLU 45 Cb 0.56 -2.12 0.48 0.00 1.43 0.00 0.00 31.44 31.79 1win n GLU 45 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1win n LYS 46 N -0.05 -0.03 -4.40 3.44 4.76 -1.26 -4.40 118.16 116.21 1win n LYS 46 Ca 0.36 0.89 -0.21 0.00 -2.87 0.00 0.00 58.31 56.49 1win n LYS 46 Cb 1.27 -1.76 -0.09 0.00 -1.84 0.00 0.00 35.03 32.61 1win n LYS 46 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1win s GLU 47 N -4.78 1.66 -0.72 1.97 2.56 -1.26 -5.02 118.70 113.11 1win s GLU 47 Ca -0.05 -1.96 -0.14 0.00 0.00 0.00 0.00 54.97 52.82 1win s GLU 47 Cb 0.22 -0.41 -0.20 0.00 2.00 0.00 0.00 34.13 35.74 1win s GLU 47 CO 0.58 -0.38 1.73 1.28 -0.56 0.00 0.00 175.26 177.91 1win n LEU 48 N -0.67 -0.44 -1.79 2.70 4.77 -1.26 -4.69 117.00 115.61 1win n LEU 48 Ca -0.02 -0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.67 1win n LEU 48 Cb 0.65 -0.52 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1win n LEU 48 CO 0.37 -0.78 1.03 -0.11 -1.33 0.00 0.00 177.39 176.57 1win n LEU 49 N 5.69 5.55 0.14 2.23 -0.00 -1.26 -4.41 117.00 124.93 1win n LEU 49 Ca 0.48 -2.92 0.11 0.00 -0.00 0.00 0.00 56.01 53.68 1win n LEU 49 Cb 0.06 -0.76 0.52 0.00 -0.00 0.00 0.00 43.42 43.23 1win n LEU 49 CO 0.73 0.91 0.83 0.00 -0.00 0.00 0.00 177.39 179.86 1win n ALA 50 N -0.41 1.36 0.08 1.96 0.00 -1.26 -1.40 120.51 120.83 1win n ALA 50 Ca 0.37 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.90 1win n ALA 50 Cb 1.11 -1.34 0.14 0.00 0.00 0.00 0.00 19.45 19.37 1win n ALA 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1win h VAL 51 N 0.00 1.36 0.00 0.00 3.04 -1.93 -3.23 116.25 115.49 1win h VAL 51 Ca 0.00 -1.83 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 1win h VAL 51 Cb 0.18 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1win h VAL 51 CO 0.00 0.55 -0.03 0.00 -1.01 0.00 0.00 177.57 177.07 1win n ALA 52 N -2.47 2.24 0.00 3.17 0.00 -0.82 -4.37 120.51 118.26 1win n ALA 52 Ca -0.02 -2.49 -0.14 0.00 0.00 0.00 0.00 53.44 50.78 1win n ALA 52 Cb 0.58 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 19.50 1win n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win n GLU 54 N -3.27 0.78 0.20 0.00 4.07 -1.26 -3.40 120.64 117.76 1win n GLU 54 Ca -0.22 -0.10 0.05 0.00 -0.06 0.00 0.00 57.16 56.83 1win n GLU 54 Cb 1.05 -1.36 0.41 0.00 -0.06 0.00 0.00 31.44 31.48 1win n GLU 54 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1win h GLN 55 N 0.00 0.00 0.00 5.31 4.15 -1.76 -3.05 115.11 119.76 1win h GLN 55 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1win h GLN 55 Cb 0.99 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1win h GLN 55 CO 0.01 0.34 -0.40 1.19 -1.93 0.00 0.00 178.83 178.03 1win n PHE 56 N -3.82 0.00 -0.37 3.99 3.72 -1.25 -4.62 117.46 115.11 1win n PHE 56 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1win n PHE 56 Cb 0.42 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.66 1win n PHE 56 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1win h LEU 57 N -0.40 -2.01 -1.46 4.37 3.38 -1.73 0.66 115.31 118.11 1win h LEU 57 Ca 0.00 0.30 0.46 0.00 0.09 0.00 0.00 57.88 58.73 1win h LEU 57 Cb 0.40 0.89 -0.10 0.00 0.09 0.00 0.00 40.66 41.94 1win h LEU 57 CO 0.00 -0.23 1.00 0.61 0.09 0.00 0.00 178.44 179.90 1win n GLY 58 N -1.25 -0.80 3.93 0.83 0.00 -1.15 -4.34 105.19 102.40 1win n GLY 58 Ca 0.01 0.65 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 1win n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1win s LYS 59 N -4.87 2.72 0.95 1.61 1.02 0.23 -5.12 119.74 116.27 1win s LYS 59 Ca -0.06 -1.35 -0.12 0.00 0.02 0.00 0.00 55.97 54.46 1win s LYS 59 Cb 0.26 -2.57 0.16 0.00 -0.52 0.00 0.00 37.83 35.16 1win s LYS 59 CO 0.76 -0.16 1.12 -0.80 -0.92 0.00 0.00 175.35 175.35 1win s ASN 60 N -4.19 3.16 0.51 2.83 -0.87 -1.26 -4.92 114.94 110.20 1win s ASN 60 Ca 0.49 1.03 0.34 0.00 -1.57 0.00 0.00 52.86 53.15 1win s ASN 60 Cb -0.06 -1.63 1.60 0.00 -0.02 0.00 0.00 41.25 41.14 1win s ASN 60 CO 0.30 -2.77 2.01 -0.37 -2.57 0.00 0.00 177.10 173.70 1win h VAL 61 N -1.65 0.00 -0.07 1.60 -1.51 -1.91 -2.68 116.25 110.03 1win h VAL 61 Ca -0.52 -0.24 -0.16 0.00 -1.23 0.00 0.00 66.70 64.55 1win h VAL 61 Cb 1.33 1.13 0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1win h VAL 61 CO 0.61 0.00 -0.59 1.56 -1.23 0.00 0.00 177.57 177.92 1win h GLN 62 N 0.00 0.52 0.21 5.19 4.20 -1.99 -3.31 115.11 119.93 1win h GLN 62 Ca 0.00 -0.47 0.01 0.00 0.06 0.00 0.00 58.65 58.25 1win h GLN 62 Cb 0.26 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1win h GLN 62 CO 0.00 1.10 -0.36 -0.44 -0.67 0.00 0.00 178.83 178.47 1win h ASP 63 N 0.11 -1.01 -0.35 1.46 5.19 -1.84 -2.75 116.42 117.24 1win h ASP 63 Ca -0.05 0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1win h ASP 63 Cb 1.25 0.37 -0.04 0.00 0.18 0.00 0.00 39.33 41.09 1win h ASP 63 CO 0.12 -0.46 -0.21 -0.38 -3.12 0.00 0.00 179.24 175.19 1win n ILE 64 N -5.45 -0.24 -0.32 0.35 -0.00 -1.23 0.66 119.36 113.14 1win n ILE 64 Ca -0.08 1.71 0.20 0.00 -0.00 0.00 0.00 62.75 64.58 1win n ILE 64 Cb 0.35 -2.19 0.42 0.00 -0.00 0.00 0.00 39.64 38.21 1win n ILE 64 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1win h LYS 65 N 0.00 0.27 0.19 0.38 6.56 -1.62 -1.39 116.57 120.96 1win h LYS 65 Ca 0.06 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1win h LYS 65 Cb 0.14 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1win h LYS 65 CO -0.33 0.18 -0.09 -0.91 -2.06 0.00 0.00 179.45 176.24 1win h ASN 66 N 0.28 -0.22 -0.76 0.86 2.35 0.53 -1.83 115.58 116.78 1win h ASN 66 Ca 0.68 0.01 0.15 0.00 -0.55 0.00 0.00 56.30 56.59 1win h ASN 66 Cb 1.50 0.06 -0.14 0.00 0.05 0.00 0.00 38.32 39.78 1win h ASN 66 CO -0.63 -0.08 -0.19 0.52 -1.65 0.00 0.00 177.43 175.40 1win n VAL 67 N -3.10 -0.32 -0.02 2.81 0.31 0.14 0.10 118.33 118.25 1win n VAL 67 Ca -0.03 1.74 -0.12 0.00 -0.01 0.00 0.00 64.34 65.92 1win n VAL 67 Cb 0.10 -2.42 -0.07 0.00 -0.91 0.00 0.00 33.84 30.55 1win n VAL 67 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1win h VAL 68 N 0.00 1.19 -0.04 2.52 2.07 -1.34 -2.83 116.25 117.82 1win h VAL 68 Ca 0.37 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1win h VAL 68 Cb 0.57 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1win h VAL 68 CO -0.78 0.16 -0.16 0.25 0.02 0.00 0.00 177.57 177.06 1win h LEU 69 N -0.05 -0.48 -0.83 2.57 5.85 0.16 -2.13 115.31 120.40 1win h LEU 69 Ca 0.03 0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.01 1win h LEU 69 Cb 0.24 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.36 1win h LEU 69 CO -0.00 -0.22 0.31 1.56 -0.34 0.00 0.00 178.44 179.76 1win h GLN 70 N -0.25 0.36 0.11 1.25 1.08 -0.55 0.15 115.11 117.26 1win h GLN 70 Ca 0.06 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1win h GLN 70 Cb 0.33 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1win h GLN 70 CO -0.18 0.24 -0.32 1.15 -0.95 0.00 0.00 178.83 178.77 1win h THR 71 N 0.37 0.00 -0.26 -0.54 2.02 -1.13 0.25 112.91 113.63 1win h THR 71 Ca 0.49 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.69 1win h THR 71 Cb 0.88 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1win h THR 71 CO -0.51 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 175.44 1win h LEU 72 N -0.48 0.18 0.02 2.58 3.38 -1.28 -2.83 115.31 116.87 1win h LEU 72 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1win h LEU 72 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1win h LEU 72 CO -0.15 0.14 -0.06 -0.33 0.09 0.00 0.00 178.44 178.12 1win h GLU 73 N 0.26 -0.09 -1.06 1.13 5.08 -0.48 0.73 114.58 120.15 1win h GLU 73 Ca 0.11 0.01 0.42 0.00 -1.00 0.00 0.00 59.36 58.89 1win h GLU 73 Cb 0.04 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.14 1win h GLU 73 CO -0.08 -0.06 0.60 0.41 -1.00 0.00 0.00 179.01 178.88 1win n GLY 74 N -1.06 -0.75 0.20 -3.84 0.00 0.87 0.13 105.19 100.73 1win n GLY 74 Ca -0.01 0.78 -0.14 0.00 0.00 0.00 0.00 46.02 46.65 1win n GLY 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1win h HIS 75 N 0.00 0.80 -0.74 1.61 3.86 -1.09 -2.85 115.15 116.74 1win h HIS 75 Ca 0.83 -0.27 0.13 0.00 -1.16 0.00 0.00 60.37 59.91 1win h HIS 75 Cb 2.32 -0.16 -0.13 0.00 1.06 0.00 0.00 27.41 30.50 1win h HIS 75 CO -0.01 1.01 -0.33 1.25 0.86 0.00 0.00 177.93 180.72 1win h LEU 76 N 0.36 -1.17 0.40 2.43 5.85 0.34 0.83 115.31 124.35 1win h LEU 76 Ca 0.02 0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1win h LEU 76 Cb 0.92 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1win h LEU 76 CO 0.08 -0.29 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.60 1win h ARG 77 N -0.09 -0.52 -0.81 1.25 2.43 -1.56 0.18 114.38 115.25 1win h ARG 77 Ca 0.29 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.71 1win h ARG 77 Cb 0.57 0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 30.09 1win h ARG 77 CO -0.79 -0.35 -0.02 0.43 -1.51 0.00 0.00 179.97 177.74 1win n SER 78 N -3.90 -0.12 0.07 -3.80 7.64 -1.01 -0.45 113.62 112.04 1win n SER 78 Ca -0.07 1.38 -0.09 0.00 1.01 0.00 0.00 58.87 61.10 1win n SER 78 Cb 0.21 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1win n SER 78 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1win h ILE 79 N 0.00 0.61 -0.79 0.44 1.08 -0.84 -3.28 117.51 114.73 1win h ILE 79 Ca 0.48 -1.03 0.30 0.00 -0.39 0.00 0.00 64.86 64.21 1win h ILE 79 Cb 0.95 1.04 -0.14 0.00 -3.07 0.00 0.00 36.82 35.60 1win h ILE 79 CO -0.77 0.16 0.30 -0.11 -0.69 0.00 0.00 178.15 177.03 1win n LEU 80 N -4.95 0.16 -0.18 1.44 0.00 0.61 0.17 117.00 114.25 1win n LEU 80 Ca -0.07 1.33 -0.04 0.00 0.00 0.00 0.00 56.01 57.23 1win n LEU 80 Cb 0.24 -0.59 0.06 0.00 0.00 0.00 0.00 43.42 43.13 1win n LEU 80 CO 0.22 -1.44 1.03 1.23 0.00 0.00 0.00 177.39 178.42 1win h GLY 81 N 0.00 0.75 0.04 -3.96 0.00 -1.32 -1.51 103.07 97.08 1win h GLY 81 Ca 0.61 -0.18 0.27 0.00 0.00 0.00 0.00 47.33 48.03 1win h GLY 81 CO -0.65 0.11 0.68 -0.91 0.00 0.00 0.00 176.54 175.76 1win h THR 82 N 0.51 0.54 -2.03 4.70 1.35 0.16 0.21 112.91 118.36 1win h THR 82 Ca 0.24 -0.06 -0.44 0.00 -0.55 0.00 0.00 66.41 65.60 1win h THR 82 Cb 0.16 0.36 0.02 0.00 -1.73 0.00 0.00 68.15 66.96 1win h THR 82 CO -0.17 0.03 -0.20 -0.76 -0.25 0.00 0.00 175.52 174.17 1win s LEU 83 N -8.92 3.67 0.06 3.87 1.43 -0.57 -4.80 118.68 113.42 1win s LEU 83 Ca -0.06 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1win s LEU 83 Cb 0.23 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1win s LEU 83 CO 0.79 -0.73 0.07 0.42 0.23 0.00 0.00 176.35 177.13 1win s THR 84 N -2.42 4.52 0.24 5.49 -4.23 -1.26 -1.88 115.64 116.10 1win s THR 84 Ca 0.51 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 60.27 1win s THR 84 Cb -0.10 -3.15 0.37 0.00 1.34 0.00 0.00 72.50 70.96 1win s THR 84 CO 0.35 0.17 1.30 0.52 -0.54 0.00 0.00 174.62 176.41 1win n VAL 85 N 0.62 -0.35 0.02 2.29 0.31 -1.26 -1.20 118.33 118.75 1win n VAL 85 Ca -0.10 1.87 -0.01 0.00 -0.01 0.00 0.00 64.34 66.10 1win n VAL 85 Cb 0.52 -2.64 -0.00 0.00 -0.91 0.00 0.00 33.84 30.80 1win n VAL 85 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1win h GLU 86 N 0.00 -0.05 -0.97 5.55 5.08 -2.00 -2.79 114.58 119.40 1win h GLU 86 Ca 0.43 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.91 1win h GLU 86 Cb 0.75 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.88 1win h GLU 86 CO -0.83 -0.03 -0.50 1.04 -1.00 0.00 0.00 179.01 177.69 1win n GLN 87 N -2.34 -0.35 -0.36 2.33 6.02 -0.34 0.11 117.38 122.45 1win n GLN 87 Ca -0.01 1.48 0.07 0.00 -0.01 0.00 0.00 57.00 58.53 1win n GLN 87 Cb 0.02 -2.18 0.16 0.00 1.02 0.00 0.00 30.24 29.27 1win n GLN 87 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1win n ILE 88 N -5.30 -0.42 0.12 5.09 5.41 -0.49 -0.79 119.36 122.99 1win n ILE 88 Ca 0.05 2.27 -0.13 0.00 1.00 0.00 0.00 62.75 65.94 1win n ILE 88 Cb 0.30 -3.17 -0.08 0.00 -0.71 0.00 0.00 39.64 35.99 1win n ILE 88 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1win h TYR 89 N 0.00 -0.31 -0.73 1.39 0.05 -0.04 -2.85 116.97 114.48 1win h TYR 89 Ca 0.50 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.34 1win h TYR 89 Cb 0.81 0.10 -0.09 0.00 1.01 0.00 0.00 36.73 38.56 1win h TYR 89 CO -0.73 0.04 -0.42 1.04 -1.05 0.00 0.00 178.16 177.04 1win n GLN 90 N -5.07 -0.32 -3.63 4.88 1.13 0.03 -3.49 117.38 110.91 1win n GLN 90 Ca -0.09 1.10 -0.29 0.00 -1.94 0.00 0.00 57.00 55.77 1win n GLN 90 Cb 0.26 -1.62 -0.13 0.00 0.11 0.00 0.00 30.24 28.86 1win n GLN 90 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1win s ASP 91 N -5.36 3.48 0.22 1.08 -1.08 -0.87 -4.99 116.67 109.15 1win s ASP 91 Ca -0.09 -2.29 -0.08 0.00 -0.52 0.00 0.00 52.55 49.57 1win s ASP 91 Cb 0.08 -0.78 0.28 0.00 -1.46 0.00 0.00 42.92 41.05 1win s ASP 91 CO 0.45 -0.31 1.81 0.03 0.52 0.00 0.00 175.17 177.67 1win h ARG 92 N 7.08 0.70 0.33 4.34 -0.00 -1.54 -2.72 114.38 122.58 1win h ARG 92 Ca -0.01 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1win h ARG 92 Cb 0.96 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.75 1win h ARG 92 CO 0.41 0.46 -0.32 -0.44 0.00 0.00 0.00 179.97 180.07 1win h ASP 93 N 0.72 -0.87 -0.97 7.04 3.32 -1.93 -2.33 116.42 121.40 1win h ASP 93 Ca 0.33 0.08 0.30 0.00 0.02 0.00 0.00 57.03 57.75 1win h ASP 93 Cb 0.23 0.29 -0.17 0.00 0.22 0.00 0.00 39.33 39.90 1win h ASP 93 CO -0.20 -0.46 0.21 -0.61 -1.72 0.00 0.00 179.24 176.46 1win h GLN 94 N -0.68 0.06 0.46 3.56 5.75 -1.87 0.34 115.11 122.73 1win h GLN 94 Ca -0.02 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1win h GLN 94 Cb 0.62 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1win h GLN 94 CO -0.06 0.04 -0.22 0.35 -2.65 0.00 0.00 178.83 176.29 1win h PHE 95 N 0.06 -0.58 -0.96 3.99 3.57 -1.32 -3.09 116.94 118.62 1win h PHE 95 Ca 0.65 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 62.44 1win h PHE 95 Cb 1.46 0.19 -0.15 0.00 2.79 0.00 0.00 35.95 40.24 1win h PHE 95 CO -0.32 -0.36 0.41 0.00 -2.23 0.00 0.00 178.31 175.81 1win h ALA 96 N -1.64 1.70 -0.80 2.41 0.00 -0.76 0.37 119.26 120.54 1win h ALA 96 Ca -0.06 0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.26 1win h ALA 96 Cb 0.48 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 1win h ALA 96 CO 0.10 -0.59 0.24 -0.22 0.00 0.00 0.00 179.25 178.78 1win h LYS 97 N 0.21 0.29 0.00 0.00 3.64 -0.90 0.49 116.57 120.31 1win h LYS 97 Ca 0.68 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.94 1win h LYS 97 Cb 1.54 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 1win h LYS 97 CO -0.67 0.19 -0.50 -0.07 -2.27 0.00 0.00 179.45 176.12 1win h LEU 98 N 0.30 0.00 -0.43 5.20 3.38 -0.25 0.14 115.31 123.64 1win h LEU 98 Ca 0.47 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.27 1win h LEU 98 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1win h LEU 98 CO -0.54 0.50 -0.68 0.58 0.09 0.00 0.00 178.44 178.40 1win h VAL 99 N 0.00 1.35 0.00 1.22 2.07 0.16 -2.31 116.25 118.74 1win h VAL 99 Ca -0.01 -2.02 -0.25 0.00 0.82 0.00 0.00 66.70 65.25 1win h VAL 99 Cb 0.90 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1win h VAL 99 CO 0.07 0.61 -1.34 0.08 0.02 0.00 0.00 177.57 177.00 1win h ARG 100 N 0.34 0.00 -0.10 1.57 0.11 -0.52 -3.04 114.38 112.74 1win h ARG 100 Ca -0.02 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.93 1win h ARG 100 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 1win h ARG 100 CO 0.12 0.72 -0.53 0.93 0.10 0.00 0.00 179.97 181.31 1win h GLU 101 N 0.00 0.28 0.05 0.08 4.39 -0.74 0.15 114.58 118.79 1win h GLU 101 Ca -0.15 -0.17 -0.24 0.00 0.34 0.00 0.00 59.36 59.15 1win h GLU 101 Cb 1.87 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 1win h GLU 101 CO 0.10 0.74 -1.09 -0.24 -1.16 0.00 0.00 179.01 177.36 1win h VAL 102 N 0.22 1.61 0.17 3.13 3.04 -1.52 -3.32 116.25 119.58 1win h VAL 102 Ca 0.01 -3.23 -0.30 0.00 -1.01 0.00 0.00 66.70 62.17 1win h VAL 102 Cb 1.00 2.87 0.01 0.00 -2.01 0.00 0.00 31.29 33.16 1win h VAL 102 CO 0.08 0.93 -1.39 0.00 -1.01 0.00 0.00 177.57 176.19 1win h ALA 103 N 0.82 0.04 -0.70 3.17 0.00 -1.45 -3.32 119.26 117.82 1win h ALA 103 Ca -0.06 -0.92 0.06 0.00 0.00 0.00 0.00 54.91 53.98 1win h ALA 103 Cb 1.84 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.67 1win h ALA 103 CO 0.16 0.91 -0.41 0.00 0.00 0.00 0.00 179.25 179.91 1win n ALA 104 N -2.63 -0.45 0.26 0.00 0.00 0.52 0.22 120.51 118.44 1win n ALA 104 Ca -0.13 0.60 0.15 0.00 0.00 0.00 0.00 53.44 54.05 1win n ALA 104 Cb 1.06 -0.09 0.63 0.00 0.00 0.00 0.00 19.45 21.05 1win n ALA 104 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1win h PRO 105 N 0.00 0.00 0.21 0.00 0.13 -1.75 -3.09 132.00 127.51 1win h PRO 105 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1win h PRO 105 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1win h PRO 105 CO -0.66 0.09 -0.10 0.22 -0.23 0.00 0.00 178.00 177.32 1win h ASP 106 N 0.00 -0.24 -0.32 1.44 1.82 0.27 -3.27 116.42 116.13 1win h ASP 106 Ca -0.00 0.01 0.09 0.00 -0.39 0.00 0.00 57.03 56.74 1win h ASP 106 Cb 0.56 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1win h ASP 106 CO 0.01 0.19 0.49 -0.37 -1.61 0.00 0.00 179.24 177.95 1win h VAL 107 N -1.00 0.22 0.00 2.25 -1.51 -0.26 0.22 116.25 116.17 1win h VAL 107 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 1win h VAL 107 Cb 0.21 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1win h VAL 107 CO 0.05 0.00 -0.03 1.23 -1.23 0.00 0.00 177.57 177.59 1win h GLY 108 N 0.00 0.00 0.75 5.19 0.00 -1.43 0.32 103.07 107.91 1win h GLY 108 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1win h GLY 108 CO -0.00 0.00 -0.10 3.21 0.00 0.00 0.00 176.54 179.65 1win h ARG 109 N 0.00 -0.28 -0.06 4.80 2.47 -0.70 -3.12 114.38 117.49 1win h ARG 109 Ca -0.00 0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.62 1win h ARG 109 Cb 0.09 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1win h ARG 109 CO 0.00 -0.00 -0.51 0.00 0.56 0.00 0.00 179.97 180.02 1win h MET 110 N -0.54 0.16 0.00 0.04 -0.00 -1.66 -3.47 114.93 109.46 1win h MET 110 Ca -0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1win h MET 110 Cb 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.01 1win h MET 110 CO 0.05 0.64 0.00 0.41 -0.00 0.00 0.00 176.91 178.00 1win n GLY 111 N 0.02 1.97 3.60 -3.00 0.00 -0.68 -4.12 105.19 102.97 1win n GLY 111 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1win n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1win s ILE 112 N -2.00 3.63 -0.04 -0.61 -1.09 0.02 -3.21 121.20 117.90 1win s ILE 112 Ca 0.00 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.60 1win s ILE 112 Cb 0.00 -2.61 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 1win s ILE 112 CO 0.00 0.33 -0.21 -0.70 -1.23 0.00 0.00 174.94 173.13 1win s GLU 113 N -1.62 2.02 -0.08 2.79 2.56 -1.25 -2.78 118.70 120.34 1win s GLU 113 Ca 0.18 -0.75 -0.30 0.00 0.00 0.00 0.00 54.97 54.11 1win s GLU 113 Cb -0.11 -1.79 -0.02 0.00 2.00 0.00 0.00 34.13 34.21 1win s GLU 113 CO 0.09 0.35 1.02 0.96 -0.56 0.00 0.00 175.26 177.12 1win s ILE 114 N -0.19 4.75 -0.18 -3.70 -5.25 -1.26 -3.81 121.20 111.56 1win s ILE 114 Ca -0.00 2.01 -0.19 0.00 -0.99 0.00 0.00 60.65 61.48 1win s ILE 114 Cb -0.11 -4.29 -0.16 0.00 2.95 0.00 0.00 42.46 40.85 1win s ILE 114 CO 0.02 0.04 0.22 -0.07 -1.79 0.00 0.00 174.94 173.35 1win h LEU 115 N 7.74 0.00 -7.26 0.37 4.07 -1.88 -3.49 115.31 114.86 1win h LEU 115 Ca -0.34 -0.46 -0.09 0.00 0.08 0.00 0.00 57.88 57.08 1win h LEU 115 Cb 1.16 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.71 1win h LEU 115 CO 0.83 1.20 -0.04 -0.55 -1.08 0.00 0.00 178.44 178.80 1win s SER 116 N -6.44 -0.42 -0.11 -0.43 0.15 -1.23 -4.99 113.70 100.23 1win s SER 116 Ca -0.22 0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.80 1win s SER 116 Cb 0.03 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1win s SER 116 CO 0.49 -0.53 0.05 0.12 1.20 0.00 0.00 173.24 174.57 1win s PHE 117 N -1.27 0.42 0.31 3.44 2.19 -1.26 -0.62 117.98 121.18 1win s PHE 117 Ca -0.12 -0.20 0.03 0.00 0.33 0.00 0.00 56.93 56.97 1win s PHE 117 Cb -0.03 -0.71 -0.05 0.00 -1.31 0.00 0.00 43.02 40.92 1win s PHE 117 CO 0.07 -0.38 0.10 0.99 1.83 0.00 0.00 175.22 177.83 1win s THR 118 N 2.06 0.71 -0.10 0.12 2.01 0.11 -4.64 115.64 115.90 1win s THR 118 Ca 0.03 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.01 1win s THR 118 Cb -0.14 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1win s THR 118 CO -0.06 0.00 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.23 1win s ILE 119 N -3.52 4.20 -0.00 1.82 -1.09 -1.26 -0.06 121.20 121.28 1win s ILE 119 Ca 0.35 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1win s ILE 119 Cb 0.07 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 38.17 1win s ILE 119 CO 0.15 0.58 -0.01 1.17 -1.23 0.00 0.00 174.94 175.60 1win n LYS 120 N 2.48 0.01 -3.77 2.79 4.81 -1.26 -4.81 118.16 118.40 1win n LYS 120 Ca -0.18 0.19 -0.13 0.00 -0.87 0.00 0.00 58.31 57.32 1win n LYS 120 Cb 0.53 -0.71 -0.10 0.00 0.02 0.00 0.00 35.03 34.77 1win n LYS 120 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1win s ASP 121 N -3.69 -0.24 -0.11 3.14 -1.08 -1.26 -4.98 116.67 108.46 1win s ASP 121 Ca -0.01 0.33 -0.01 0.00 -0.52 0.00 0.00 52.55 52.35 1win s ASP 121 Cb 0.00 0.47 0.03 0.00 -1.46 0.00 0.00 42.92 41.96 1win s ASP 121 CO 0.01 -0.27 -0.03 0.54 0.52 0.00 0.00 175.17 175.94 1win s VAL 122 N -0.58 0.70 0.17 1.11 0.11 -1.26 -1.48 120.40 119.17 1win s VAL 122 Ca -0.07 -0.19 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 1win s VAL 122 Cb -0.04 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 1win s VAL 122 CO 0.02 0.22 -0.04 -0.72 -3.33 0.00 0.00 175.10 171.26 1win s TYR 123 N 1.83 1.29 -0.29 1.54 1.13 0.08 -4.98 117.35 117.96 1win s TYR 123 Ca 0.04 -0.91 -0.08 0.00 -1.41 0.00 0.00 57.07 54.71 1win s TYR 123 Cb -0.13 -0.72 -0.01 0.00 -1.10 0.00 0.00 41.96 40.00 1win s TYR 123 CO -0.07 -0.07 0.10 0.16 -2.51 0.00 0.00 175.55 173.16 1win s ASP 124 N -3.20 5.26 0.16 -0.18 -4.77 -1.26 -0.43 116.67 112.25 1win s ASP 124 Ca 0.22 -0.52 -0.10 0.00 -3.30 0.00 0.00 52.55 48.85 1win s ASP 124 Cb 0.05 -1.93 0.00 0.00 -1.09 0.00 0.00 42.92 39.95 1win s ASP 124 CO 0.03 -0.15 1.55 0.11 0.70 0.00 0.00 175.17 177.41 1win h LYS 125 N 8.27 1.00 0.00 2.11 1.79 -1.92 -2.59 116.57 125.23 1win h LYS 125 Ca -0.34 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 57.71 1win h LYS 125 Cb 1.15 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1win h LYS 125 CO 0.60 1.10 0.00 1.33 -1.08 0.00 0.00 179.45 181.40 1win n VAL 126 N -4.13 0.79 -4.16 0.50 0.24 -1.26 -4.89 118.33 105.42 1win n VAL 126 Ca 0.00 0.15 -0.31 0.00 -2.04 0.00 0.00 64.34 62.14 1win n VAL 126 Cb 0.45 -1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 31.73 1win n VAL 126 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1win n ASP 127 N -2.16 -1.06 -0.04 -1.34 8.00 -0.98 -4.85 116.55 114.12 1win n ASP 127 Ca 0.03 -1.08 -0.15 0.00 0.71 0.00 0.00 54.79 54.29 1win n ASP 127 Cb 0.26 -2.55 -0.07 0.00 -0.02 0.00 0.00 41.12 38.74 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1win h TYR 128 N -1.65 0.78 0.11 1.24 3.20 -1.90 -3.00 116.97 115.75 1win h TYR 128 Ca -0.62 -0.31 -0.28 0.00 3.14 0.00 0.00 58.73 60.65 1win h TYR 128 Cb 1.38 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.52 1win h TYR 128 CO 0.56 1.09 -1.34 -0.07 -1.64 0.00 0.00 178.16 176.75 1win h LEU 129 N 0.25 0.37 -1.99 2.82 4.07 -1.97 -3.29 115.31 115.58 1win h LEU 129 Ca -0.02 -0.44 0.04 0.00 0.08 0.00 0.00 57.88 57.55 1win h LEU 129 Cb 1.10 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1win h LEU 129 CO 0.10 1.35 0.11 -1.28 -1.08 0.00 0.00 178.44 177.64 1win h SER 130 N 0.06 0.02 -0.54 -0.43 0.87 -1.88 -2.06 113.55 109.59 1win h SER 130 Ca -0.17 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1win h SER 130 Cb 1.97 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.89 1win h SER 130 CO 0.18 0.01 0.28 0.28 -0.53 0.00 0.00 176.83 177.05 1win h SER 131 N 0.02 0.41 -0.67 6.23 0.02 -1.59 -0.98 113.55 117.00 1win h SER 131 Ca 0.07 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.19 1win h SER 131 Cb 0.26 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1win h SER 131 CO -0.00 0.28 0.45 -0.07 -1.14 0.00 0.00 176.83 176.36 1win h LEU 132 N 0.55 0.27 -6.14 5.07 3.38 -1.55 -3.30 115.31 113.58 1win h LEU 132 Ca 0.23 0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.71 1win h LEU 132 Cb 0.13 -0.04 -0.34 0.00 0.09 0.00 0.00 40.66 40.49 1win h LEU 132 CO -0.15 0.14 -0.89 -0.83 0.09 0.00 0.00 178.44 176.80 1win s GLY 133 N -3.86 0.74 -0.18 0.83 0.00 -0.47 -4.94 107.32 99.44 1win s GLY 133 Ca -0.07 -2.05 0.16 0.00 0.00 0.00 0.00 44.72 42.76 1win s GLY 133 CO 0.75 2.40 1.64 0.58 0.00 0.00 0.00 173.10 178.47 1win n LYS 134 N 2.94 4.12 -2.96 2.90 0.00 -0.64 -4.83 118.16 119.69 1win n LYS 134 Ca 0.27 -2.98 -0.44 0.00 -0.00 0.00 0.00 58.31 55.15 1win n LYS 134 Cb 0.49 -2.04 -0.01 0.00 -0.00 0.00 0.00 35.03 33.47 1win n LYS 134 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1win s THR 135 N -2.42 4.95 0.09 0.58 -4.23 -1.26 -4.99 115.64 108.35 1win s THR 135 Ca 0.50 -2.21 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 1win s THR 135 Cb 0.37 -4.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.33 1win s THR 135 CO 0.17 -1.54 -0.15 -1.58 -0.54 0.00 0.00 174.62 170.99 1win s GLN 136 N 1.91 2.02 -0.04 3.99 0.74 -1.26 -5.13 119.66 121.89 1win s GLN 136 Ca 0.37 -1.05 -0.03 0.00 0.05 0.00 0.00 55.36 54.71 1win s GLN 136 Cb -0.04 -2.22 0.02 0.00 1.10 0.00 0.00 33.01 31.87 1win s GLN 136 CO -0.04 0.51 0.10 0.99 -0.55 0.00 0.00 175.29 176.30 1win s THR 137 N -1.10 -0.02 0.02 -0.34 2.01 -1.26 -5.16 115.64 109.79 1win s THR 137 Ca 0.18 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 1win s THR 137 Cb -0.11 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1win s THR 137 CO 0.10 0.03 0.07 -0.55 -0.69 0.00 0.00 174.62 173.58 1win s SER 138 N 0.42 0.13 0.00 3.53 0.15 -1.26 -5.09 113.70 111.59 1win s SER 138 Ca -0.03 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1win s SER 138 Cb -0.04 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1win s SER 138 CO -0.02 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1win n GLY 139 N 1.33 0.44 3.60 9.45 0.00 -1.26 -5.17 105.19 113.58 1win n GLY 139 Ca -0.22 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1win n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1win s PRO 140 N 0.00 -1.17 0.06 1.61 0.04 -1.26 -5.09 135.00 129.19 1win s PRO 140 Ca 0.00 -0.05 0.03 0.00 0.04 0.00 0.00 61.00 61.02 1win s PRO 140 Cb 0.00 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 1win s PRO 140 CO 0.00 -3.68 -0.09 0.45 0.04 0.00 0.00 177.00 173.72 1win s SER 141 N -3.88 1.09 -0.02 6.66 0.15 -1.26 -5.16 113.70 111.29 1win s SER 141 Ca 0.71 -0.69 0.01 0.00 0.70 0.00 0.00 55.95 56.68 1win s SER 141 Cb -0.10 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1win s SER 141 CO 0.56 -0.25 -0.03 -0.55 1.20 0.00 0.00 173.24 174.17 1win s SER 142 N -2.02 4.93 0.00 5.45 0.15 -1.26 -5.38 113.70 115.58 1win s SER 142 Ca -0.02 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.84 1win s SER 142 Cb -0.06 -1.26 0.24 0.00 -1.71 0.00 0.00 66.02 63.23 1win s SER 142 CO -0.00 0.31 1.29 0.61 1.20 0.00 0.00 173.24 176.64