#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 4.75 0.24 1.61 0.01 -1.26 -4.88 113.70 114.16 1win s SER 2 Ca 0.00 0.56 -0.13 0.00 1.31 0.00 0.00 55.95 57.69 1win s SER 2 Cb 0.00 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 1win s SER 2 CO 0.00 -2.78 0.48 -0.55 0.41 0.00 0.00 173.24 170.80 1win s SER 3 N 10.22 -0.11 0.10 2.44 0.15 -1.26 -5.18 113.70 120.06 1win s SER 3 Ca 0.83 -0.86 0.08 0.00 0.70 0.00 0.00 55.95 56.71 1win s SER 3 Cb -0.14 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 1win s SER 3 CO 0.20 -1.12 -0.21 -0.83 1.20 0.00 0.00 173.24 172.49 1win s GLY 4 N -2.99 1.24 -0.29 9.45 0.00 -1.26 -5.12 107.32 108.34 1win s GLY 4 Ca 0.20 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1win s GLY 4 CO 0.07 -1.25 0.53 -0.56 0.00 0.00 0.00 173.10 171.89 1win s SER 5 N -1.90 -0.91 -0.02 1.64 0.01 -1.26 -5.15 113.70 106.11 1win s SER 5 Ca 0.06 0.35 -0.18 0.00 1.31 0.00 0.00 55.95 57.49 1win s SER 5 Cb -0.10 1.78 -0.05 0.00 0.21 0.00 0.00 66.02 67.86 1win s SER 5 CO 0.04 -0.29 0.50 -0.44 0.41 0.00 0.00 173.24 173.45 1win s SER 6 N 2.75 6.86 0.00 2.44 0.01 -1.26 -4.98 113.70 119.52 1win s SER 6 Ca 0.14 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.42 1win s SER 6 Cb -0.13 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1win s SER 6 CO -0.23 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1win n GLY 7 N 2.32 4.14 1.63 3.44 0.00 -1.26 -4.91 105.19 110.55 1win n GLY 7 Ca -0.10 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 1win n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1win n GLN 8 N -0.56 1.48 -3.90 1.61 0.00 -1.26 -4.77 117.38 109.97 1win n GLN 8 Ca 0.00 -1.00 -0.35 0.00 0.00 0.00 0.00 57.00 55.66 1win n GLN 8 Cb 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 30.24 28.72 1win n GLN 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1win s ARG 9 N -1.14 2.19 0.18 2.61 3.00 -1.26 -4.95 118.95 119.58 1win s ARG 9 Ca 0.19 -1.49 -0.33 0.00 -1.00 0.00 0.00 55.73 53.11 1win s ARG 9 Cb 0.16 -3.27 -0.16 0.00 0.00 0.00 0.00 34.95 31.68 1win s ARG 9 CO 0.01 -0.77 1.14 1.51 0.00 0.00 0.00 175.30 177.19 1win n ILE 10 N 4.56 0.97 -3.20 4.11 3.06 -1.26 -4.84 119.36 122.76 1win n ILE 10 Ca -0.08 -0.24 -0.44 0.00 -2.50 0.00 0.00 62.75 59.48 1win n ILE 10 Cb 0.43 -0.82 -0.06 0.00 0.54 0.00 0.00 39.64 39.73 1win n ILE 10 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1win s SER 11 N -0.06 6.20 0.37 9.51 1.04 -1.26 -4.90 113.70 124.59 1win s SER 11 Ca 0.72 -1.21 0.15 0.00 0.48 0.00 0.00 55.95 56.09 1win s SER 11 Cb -0.85 -2.27 0.73 0.00 0.10 0.00 0.00 66.02 63.73 1win s SER 11 CO 0.53 -0.91 1.80 0.17 0.98 0.00 0.00 173.24 175.81 1win h LEU 12 N 9.55 0.00 -9.13 2.42 8.10 -1.94 -3.46 115.31 120.86 1win h LEU 12 Ca -0.28 0.00 -0.61 0.00 0.11 0.00 0.00 57.88 57.09 1win h LEU 12 Cb 1.10 0.00 0.16 0.00 -0.44 0.00 0.00 40.66 41.48 1win h LEU 12 CO 1.00 0.39 -0.80 1.21 -4.11 0.00 0.00 178.44 176.13 1win n GLU 13 N -3.89 0.18 -1.65 0.17 4.07 -1.26 -3.64 120.64 114.63 1win n GLU 13 Ca -0.01 0.07 -0.43 0.00 -0.06 0.00 0.00 57.16 56.72 1win n GLU 13 Cb 0.44 -1.19 -0.01 0.00 -0.06 0.00 0.00 31.44 30.63 1win n GLU 13 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1win n ILE 14 N -1.12 2.03 -4.94 6.31 5.41 -1.26 -4.60 119.36 121.20 1win n ILE 14 Ca 0.11 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 63.10 1win n ILE 14 Cb 0.42 -1.29 -0.16 0.00 -0.71 0.00 0.00 39.64 37.90 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 -1.75 1.62 -0.48 0.38 0.23 0.11 -4.99 119.30 114.42 1win s MET 15 Ca 0.57 -0.69 -0.15 0.00 -1.03 0.00 0.00 55.69 54.39 1win s MET 15 Cb -0.63 -1.54 0.08 0.00 -1.53 0.00 0.00 34.83 31.22 1win s MET 15 CO 0.61 0.40 0.40 0.99 -2.03 0.00 0.00 175.02 175.39 1win s THR 16 N -0.39 5.16 -0.23 3.16 2.01 -1.26 -1.22 115.64 122.87 1win s THR 16 Ca 0.06 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.82 1win s THR 16 Cb -0.08 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1win s THR 16 CO -0.00 -0.61 0.14 -0.76 -0.69 0.00 0.00 174.62 172.70 1win s LEU 17 N 1.62 4.04 -0.55 4.42 1.43 -0.99 -4.14 118.68 124.51 1win s LEU 17 Ca 0.04 0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1win s LEU 17 Cb -0.25 -2.08 0.14 0.00 0.03 0.00 0.00 46.19 44.04 1win s LEU 17 CO 0.06 0.08 0.45 -1.10 0.23 0.00 0.00 176.35 176.07 1win s GLN 18 N 0.97 2.75 -1.01 1.70 -0.21 -1.26 -2.69 119.66 119.90 1win s GLN 18 Ca 0.07 -1.94 -0.24 0.00 0.02 0.00 0.00 55.36 53.27 1win s GLN 18 Cb -0.13 -4.05 -0.06 0.00 1.00 0.00 0.00 33.01 29.77 1win s GLN 18 CO 0.04 -1.23 1.94 -1.25 -2.12 0.00 0.00 175.29 172.66 1win s PRO 19 N 1.07 2.54 -0.14 2.91 0.04 -1.24 -4.92 135.00 135.25 1win s PRO 19 Ca 0.08 -0.62 -0.14 0.00 0.04 0.00 0.00 61.00 60.36 1win s PRO 19 Cb -0.24 -5.13 -0.05 0.00 0.04 0.00 0.00 34.50 29.12 1win s PRO 19 CO -0.02 -3.60 0.31 0.50 0.04 0.00 0.00 177.00 174.24 1win s ARG 20 N 6.80 4.21 -0.13 4.56 3.52 -0.61 -4.16 118.95 133.14 1win s ARG 20 Ca 0.69 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.45 1win s ARG 20 Cb -0.04 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1win s ARG 20 CO 0.04 0.28 -0.17 0.00 -0.81 0.00 0.00 175.30 174.64 1win s GLU 22 N 1.12 1.59 -0.66 0.00 1.03 -1.26 -1.57 118.70 118.95 1win s GLU 22 Ca -0.02 -0.86 -0.01 0.00 0.03 0.00 0.00 54.97 54.10 1win s GLU 22 Cb -0.14 -1.63 0.00 0.00 -0.80 0.00 0.00 34.13 31.56 1win s GLU 22 CO -0.05 0.43 0.56 -3.47 -1.33 0.00 0.00 175.26 171.39 1win n ASP 23 N 2.20 -2.51 -4.12 0.83 2.03 -1.16 -5.02 116.55 108.80 1win n ASP 23 Ca -0.16 -0.32 -0.34 0.00 0.52 0.00 0.00 54.79 54.48 1win n ASP 23 Cb 0.53 -2.96 -0.13 0.00 -0.72 0.00 0.00 41.12 37.83 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 -3.19 2.86 0.26 5.18 -7.23 -1.22 -4.92 120.40 112.14 1win s VAL 24 Ca 0.07 -1.74 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 1win s VAL 24 Cb -0.03 -2.80 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 1win s VAL 24 CO 0.39 -0.33 1.65 -0.62 -0.31 0.00 0.00 175.10 175.89 1win n GLU 25 N 4.53 2.76 -1.24 4.82 1.02 -1.24 -2.70 120.64 128.59 1win n GLU 25 Ca -0.08 0.99 -0.15 0.00 -0.02 0.00 0.00 57.16 57.90 1win n GLU 25 Cb 0.42 -2.80 0.10 0.00 -0.02 0.00 0.00 31.44 29.15 1win n GLU 25 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1win n THR 26 N 2.87 0.00 -0.31 2.62 -2.24 0.27 -4.56 114.28 112.94 1win n THR 26 Ca 0.11 -0.64 -0.01 0.00 -2.27 0.00 0.00 64.05 61.24 1win n THR 26 Cb 0.36 -1.55 0.05 0.00 -2.10 0.00 0.00 70.33 67.09 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 -1.50 0.19 -0.24 6.98 0.00 0.45 0.24 119.26 125.37 1win h ALA 27 Ca -0.22 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1win h ALA 27 Cb 0.66 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1win h ALA 27 CO 0.18 -0.59 -0.25 0.93 0.00 0.00 0.00 179.25 179.51 1win h GLU 28 N -0.05 0.60 0.00 0.00 5.08 -1.88 -3.47 114.58 114.85 1win h GLU 28 Ca 0.33 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1win h GLU 28 Cb 0.59 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1win h GLU 28 CO -0.87 0.92 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 1win n GLY 29 N 0.19 0.46 3.74 -3.84 0.00 0.07 -5.14 105.19 100.66 1win n GLY 29 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.46 5.39 -0.43 1.61 1.01 -1.26 -4.56 120.40 121.71 1win s VAL 30 Ca 0.00 0.28 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 1win s VAL 30 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1win s VAL 30 CO 0.00 0.45 0.86 0.00 0.00 0.00 0.00 175.10 176.40 1win s ALA 31 N 0.24 3.31 0.35 5.51 0.00 -1.26 0.96 121.76 130.88 1win s ALA 31 Ca 0.11 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1win s ALA 31 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1win s ALA 31 CO -0.00 -1.85 0.21 -0.51 0.00 0.00 0.00 175.76 173.61 1win s LEU 32 N 3.46 3.36 -0.24 0.00 2.01 -1.10 -4.24 118.68 121.92 1win s LEU 32 Ca 0.34 -0.72 -0.00 0.00 0.01 0.00 0.00 54.13 53.76 1win s LEU 32 Cb -0.11 -1.88 0.07 0.00 0.01 0.00 0.00 46.19 44.28 1win s LEU 32 CO 0.22 -0.37 -0.00 -0.89 1.01 0.00 0.00 176.35 176.32 1win s THR 33 N -2.41 1.24 -0.19 5.49 2.01 0.22 -3.00 115.64 119.00 1win s THR 33 Ca 0.40 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1win s THR 33 Cb -0.03 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1win s THR 33 CO 0.24 -0.24 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.06 1win s VAL 34 N 1.51 2.16 -0.01 3.82 1.01 -0.61 -0.15 120.40 128.13 1win s VAL 34 Ca -0.01 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 1win s VAL 34 Cb -0.18 -1.93 -0.16 0.00 0.00 0.00 0.00 36.38 34.11 1win s VAL 34 CO -0.09 0.51 1.13 0.74 0.00 0.00 0.00 175.10 177.39 1win h THR 35 N 5.96 0.67 -2.60 3.92 2.02 -1.36 0.56 112.91 122.08 1win h THR 35 Ca -0.45 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1win h THR 35 Cb 1.14 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1win h THR 35 CO 0.63 0.13 -0.65 0.61 0.37 0.00 0.00 175.52 176.61 1win n GLY 36 N -0.12 -4.03 2.77 2.16 0.00 -1.26 -1.58 105.19 103.14 1win n GLY 36 Ca -0.09 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.53 -0.09 -0.01 1.61 1.01 0.81 -3.69 120.40 116.51 1win s VAL 37 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1win s VAL 37 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.24 1win s VAL 37 CO 0.00 0.12 0.12 0.00 0.00 0.00 0.00 175.10 175.33 1win s ALA 38 N 1.48 -0.28 -0.16 5.51 0.00 -1.10 0.27 121.76 127.49 1win s ALA 38 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 1win s ALA 38 Cb -0.12 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1win s ALA 38 CO -0.04 -0.16 0.07 -1.14 0.00 0.00 0.00 175.76 174.49 1win s GLN 39 N -0.96 3.78 0.07 0.00 2.00 -0.62 -2.36 119.66 121.58 1win s GLN 39 Ca -0.10 -0.32 0.02 0.00 -2.00 0.00 0.00 55.36 52.96 1win s GLN 39 Cb -0.06 -3.16 -0.03 0.00 0.80 0.00 0.00 33.01 30.55 1win s GLN 39 CO 0.01 0.40 -0.08 0.54 -0.50 0.00 0.00 175.29 175.67 1win s VAL 40 N 0.00 0.66 0.01 1.34 0.11 -0.35 -1.10 120.40 121.06 1win s VAL 40 Ca 0.06 -1.53 -0.06 0.00 -2.93 0.00 0.00 61.98 57.52 1win s VAL 40 Cb -0.12 -1.18 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1win s VAL 40 CO 0.01 -0.62 0.12 -1.59 -3.33 0.00 0.00 175.10 169.68 1win s LYS 41 N -2.74 0.49 -0.59 1.54 -2.85 -1.20 0.05 119.74 114.44 1win s LYS 41 Ca 0.02 -0.49 -0.27 0.00 -1.00 0.00 0.00 55.97 54.23 1win s LYS 41 Cb -0.02 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.95 1win s LYS 41 CO -0.02 -0.12 1.50 0.42 0.10 0.00 0.00 175.35 177.24 1win s ILE 42 N -1.62 3.68 0.65 3.79 -1.09 -1.24 -3.43 121.20 121.93 1win s ILE 42 Ca -0.13 0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 58.64 1win s ILE 42 Cb -0.07 -4.37 -0.13 0.00 -1.58 0.00 0.00 42.46 36.32 1win s ILE 42 CO 0.00 -1.18 -0.12 0.23 -1.23 0.00 0.00 174.94 172.64 1win n MET 43 N 8.86 0.08 -3.58 2.79 2.81 -1.24 -4.95 117.12 121.89 1win n MET 43 Ca 0.13 0.04 -0.26 0.00 -1.81 0.00 0.00 57.70 55.79 1win n MET 43 Cb 0.50 -1.19 -0.03 0.00 -0.71 0.00 0.00 33.22 31.79 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 -1.97 5.15 -0.37 2.03 2.01 -1.26 -5.01 115.64 116.22 1win s THR 44 Ca 0.55 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 1win s THR 44 Cb -0.40 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1win s THR 44 CO 0.68 -0.29 1.96 -1.83 -0.69 0.00 0.00 174.62 174.44 1win s GLU 45 N -3.62 3.05 -0.06 4.92 -1.05 -1.26 -4.75 118.70 115.94 1win s GLU 45 Ca 0.39 1.43 0.03 0.00 -0.15 0.00 0.00 54.97 56.68 1win s GLU 45 Cb -0.10 -4.30 -0.06 0.00 -0.44 0.00 0.00 34.13 29.22 1win s GLU 45 CO 0.31 -2.19 -0.01 1.63 0.95 0.00 0.00 175.26 175.95 1win n LYS 46 N 8.67 2.26 -3.22 -4.83 4.76 -1.26 -4.99 118.16 119.54 1win n LYS 46 Ca 0.25 0.01 0.04 0.00 -2.87 0.00 0.00 58.31 55.74 1win n LYS 46 Cb 0.48 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 32.52 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 -2.13 0.34 -1.27 1.97 2.56 -1.26 -4.98 118.70 113.93 1win s GLU 47 Ca -0.04 0.67 -0.06 0.00 0.00 0.00 0.00 54.97 55.54 1win s GLU 47 Cb 0.02 0.38 -0.01 0.00 2.00 0.00 0.00 34.13 36.52 1win s GLU 47 CO 0.19 -0.32 0.67 1.28 -0.56 0.00 0.00 175.26 176.53 1win n LEU 48 N 5.37 -2.99 0.20 2.70 4.77 -1.26 -4.82 117.00 120.97 1win n LEU 48 Ca -0.06 -0.91 0.14 0.00 -0.03 0.00 0.00 56.01 55.16 1win n LEU 48 Cb 0.52 -2.52 0.71 0.00 -2.33 0.00 0.00 43.42 39.80 1win n LEU 48 CO -0.05 0.41 0.92 0.25 -1.33 0.00 0.00 177.39 177.60 1win h LEU 49 N -1.82 0.00 -1.30 2.23 7.12 -1.94 -2.97 115.31 116.63 1win h LEU 49 Ca -0.63 0.00 0.30 0.00 0.13 0.00 0.00 57.88 57.68 1win h LEU 49 Cb 1.36 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.45 1win h LEU 49 CO 0.55 0.00 1.12 0.00 -0.13 0.00 0.00 178.44 179.98 1win h ALA 50 N 2.05 2.95 -0.89 1.25 0.00 -1.97 0.43 119.26 123.08 1win h ALA 50 Ca 0.00 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1win h ALA 50 Cb 0.11 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1win h ALA 50 CO 0.00 -1.66 0.48 -0.24 0.00 0.00 0.00 179.25 177.83 1win h VAL 51 N 0.00 0.72 0.00 0.00 3.04 -1.87 -3.07 116.25 115.07 1win h VAL 51 Ca 0.50 -0.23 -0.21 0.00 -1.01 0.00 0.00 66.70 65.74 1win h VAL 51 Cb 2.74 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 31.98 1win h VAL 51 CO -0.01 0.12 -1.81 0.00 -1.01 0.00 0.00 177.57 174.86 1win n ALA 52 N -2.40 1.72 -0.03 3.17 0.00 0.14 -4.24 120.51 118.86 1win n ALA 52 Ca 0.19 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 1win n ALA 52 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1win n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win h GLU 54 N -0.02 0.26 -0.06 0.00 5.08 -1.82 0.21 114.58 118.22 1win h GLU 54 Ca 0.01 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1win h GLU 54 Cb 0.05 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1win h GLU 54 CO -0.08 0.49 0.08 0.37 -1.00 0.00 0.00 179.01 178.87 1win h GLN 55 N 0.24 0.00 0.00 2.33 5.75 -1.33 -3.12 115.11 118.97 1win h GLN 55 Ca 0.04 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.22 1win h GLN 55 Cb 0.56 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.06 1win h GLN 55 CO 0.04 0.00 -2.10 1.19 -2.65 0.00 0.00 178.83 175.31 1win n PHE 56 N -3.73 0.00 -0.93 3.99 3.72 0.63 -4.95 117.46 116.20 1win n PHE 56 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 1win n PHE 56 Cb 0.17 -0.71 0.02 0.00 -0.94 0.00 0.00 39.48 38.02 1win n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1win n LEU 57 N -3.70 -3.72 0.00 4.37 4.77 0.67 -1.30 117.00 118.10 1win n LEU 57 Ca -0.38 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1win n LEU 57 Cb 0.79 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1win n LEU 57 CO 0.06 -4.26 0.00 0.61 -1.33 0.00 0.00 177.39 172.47 1win n GLY 58 N 2.34 1.21 3.93 -0.72 0.00 -1.26 -4.94 105.19 105.74 1win n GLY 58 Ca 0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 2.89 0.56 1.61 1.02 -0.42 -5.11 119.74 120.29 1win s LYS 59 Ca 0.00 -0.17 0.09 0.00 0.02 0.00 0.00 55.97 55.92 1win s LYS 59 Cb 0.00 -2.34 0.08 0.00 -0.52 0.00 0.00 37.83 35.05 1win s LYS 59 CO 0.00 -0.64 0.77 1.21 -0.92 0.00 0.00 175.35 175.77 1win s ASN 60 N -4.31 5.14 0.42 2.83 3.84 -1.26 -4.71 114.94 116.89 1win s ASN 60 Ca 0.53 -0.80 0.16 0.00 0.21 0.00 0.00 52.86 52.96 1win s ASN 60 Cb -0.10 0.20 1.04 0.00 -0.55 0.00 0.00 41.25 41.84 1win s ASN 60 CO 0.43 -1.30 1.89 -0.37 -2.79 0.00 0.00 177.10 174.96 1win h VAL 61 N 0.21 0.75 -0.74 -5.21 -1.51 -1.88 -0.70 116.25 107.17 1win h VAL 61 Ca -0.31 -0.15 0.10 0.00 -1.23 0.00 0.00 66.70 65.11 1win h VAL 61 Cb 1.29 0.27 -0.08 0.00 -2.13 0.00 0.00 31.29 30.64 1win h VAL 61 CO 0.41 0.08 0.37 1.56 -1.23 0.00 0.00 177.57 178.76 1win h GLN 62 N 0.44 0.60 0.10 5.19 4.20 -1.95 0.22 115.11 123.91 1win h GLN 62 Ca 0.42 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.09 1win h GLN 62 Cb 0.97 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1win h GLN 62 CO -0.15 0.39 -0.05 -0.44 -0.67 0.00 0.00 178.83 177.92 1win h ASP 63 N 0.61 -0.11 0.97 1.46 3.32 -1.50 -2.49 116.42 118.69 1win h ASP 63 Ca 0.37 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1win h ASP 63 Cb 0.42 0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1win h ASP 63 CO -0.29 0.06 -0.47 0.40 -1.72 0.00 0.00 179.24 177.23 1win h ILE 64 N -0.28 0.05 -1.14 0.35 5.03 -1.31 0.21 117.51 120.41 1win h ILE 64 Ca -0.01 -0.00 0.38 0.00 -0.12 0.00 0.00 64.86 65.10 1win h ILE 64 Cb 0.23 0.05 -0.14 0.00 -3.03 0.00 0.00 36.82 33.93 1win h ILE 64 CO 0.02 0.00 0.70 0.11 -0.68 0.00 0.00 178.15 178.30 1win h LYS 65 N -1.31 0.17 0.09 2.37 1.57 -0.63 -0.71 116.57 118.12 1win h LYS 65 Ca -0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1win h LYS 65 Cb 1.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1win h LYS 65 CO 0.22 0.11 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.26 1win h ASN 66 N 0.18 -0.10 -0.84 0.86 2.35 -1.09 -1.84 115.58 115.10 1win h ASN 66 Ca 0.78 0.00 0.29 0.00 -0.55 0.00 0.00 56.30 56.82 1win h ASN 66 Cb 2.14 0.03 -0.16 0.00 0.05 0.00 0.00 38.32 40.38 1win h ASN 66 CO -0.52 0.22 0.21 0.52 -1.65 0.00 0.00 177.43 176.22 1win n VAL 67 N -3.93 -0.35 0.06 2.81 0.31 0.69 -0.04 118.33 117.87 1win n VAL 67 Ca -0.01 1.79 -0.03 0.00 -0.01 0.00 0.00 64.34 66.07 1win n VAL 67 Cb 0.05 -2.75 -0.02 0.00 -0.91 0.00 0.00 33.84 30.21 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 0.00 -1.49 2.52 2.07 -1.28 -3.16 116.25 114.91 1win h VAL 68 Ca 0.60 -0.63 0.46 0.00 0.82 0.00 0.00 66.70 67.95 1win h VAL 68 Cb 1.43 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.10 1win h VAL 68 CO -0.73 0.00 1.02 0.25 0.02 0.00 0.00 177.57 178.13 1win h LEU 69 N -0.85 0.15 -0.38 2.57 5.85 -0.23 1.01 115.31 123.42 1win h LEU 69 Ca -0.02 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1win h LEU 69 Cb 0.17 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1win h LEU 69 CO 0.04 -0.10 -0.12 1.56 -0.34 0.00 0.00 178.44 179.49 1win h GLN 70 N 0.06 0.75 0.06 1.25 1.08 -0.53 0.60 115.11 118.38 1win h GLN 70 Ca 0.82 -0.30 0.03 0.00 -1.45 0.00 0.00 58.65 57.74 1win h GLN 70 Cb 2.86 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 30.21 1win h GLN 70 CO -0.24 0.90 -0.29 1.15 -0.95 0.00 0.00 178.83 179.40 1win h THR 71 N 0.55 0.36 -0.07 -0.54 2.02 0.11 0.27 112.91 115.61 1win h THR 71 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1win h THR 71 Cb 0.64 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1win h THR 71 CO 0.04 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.82 1win h LEU 72 N -0.47 0.16 0.09 2.58 3.38 -1.53 -2.94 115.31 116.58 1win h LEU 72 Ca 0.05 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1win h LEU 72 Cb 0.53 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1win h LEU 72 CO -0.21 0.55 -0.48 -0.33 0.09 0.00 0.00 178.44 178.06 1win h GLU 73 N -0.22 -0.67 -0.49 1.13 4.39 -0.71 -1.57 114.58 116.44 1win h GLU 73 Ca 0.02 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.86 1win h GLU 73 Cb 0.49 0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.19 1win h GLU 73 CO 0.01 -0.45 -0.27 0.78 -1.16 0.00 0.00 179.01 177.93 1win h GLY 74 N -0.69 0.00 0.24 -3.84 0.00 -0.53 0.08 103.07 98.33 1win h GLY 74 Ca 0.01 0.34 0.15 0.00 0.00 0.00 0.00 47.33 47.83 1win h GLY 74 CO -0.29 -0.21 0.47 0.45 0.00 0.00 0.00 176.54 176.96 1win h HIS 75 N -0.16 0.82 -0.12 5.60 3.86 -1.27 -1.92 115.15 121.96 1win h HIS 75 Ca 0.22 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.51 1win h HIS 75 Cb 0.50 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 1win h HIS 75 CO -0.53 0.21 -0.31 1.25 0.86 0.00 0.00 177.93 179.40 1win h LEU 76 N 0.67 -0.97 -0.80 2.43 5.85 0.02 0.14 115.31 122.64 1win h LEU 76 Ca 0.47 0.14 0.09 0.00 0.84 0.00 0.00 57.88 59.43 1win h LEU 76 Cb 0.66 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 1win h LEU 76 CO -0.35 -0.36 0.45 -0.09 -0.34 0.00 0.00 178.44 177.75 1win h ARG 77 N -0.39 0.74 0.84 1.25 2.43 -1.11 0.41 114.38 118.55 1win h ARG 77 Ca 0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1win h ARG 77 Cb 0.54 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1win h ARG 77 CO -0.34 0.49 -0.40 1.03 -1.51 0.00 0.00 179.97 179.24 1win h SER 78 N 0.77 -0.95 0.01 -3.80 0.87 -0.81 0.12 113.55 109.76 1win h SER 78 Ca 0.38 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1win h SER 78 Cb 0.35 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1win h SER 78 CO -0.24 -0.63 -0.01 0.40 -0.53 0.00 0.00 176.83 175.81 1win h ILE 79 N -1.22 0.93 0.00 2.23 1.08 -0.52 -0.97 117.51 119.05 1win h ILE 79 Ca -0.11 -0.05 -0.15 0.00 -0.39 0.00 0.00 64.86 64.17 1win h ILE 79 Cb 0.87 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1win h ILE 79 CO 0.19 0.01 -0.69 0.25 -0.69 0.00 0.00 178.15 177.22 1win h LEU 80 N 0.00 0.00 0.36 1.44 6.46 0.05 -3.04 115.31 120.58 1win h LEU 80 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1win h LEU 80 Cb 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1win h LEU 80 CO 0.00 0.69 -0.17 1.23 -0.62 0.00 0.00 178.44 179.57 1win h GLY 81 N 2.51 -0.51 2.00 3.75 0.00 0.65 -2.93 103.07 108.55 1win h GLY 81 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1win h GLY 81 CO 0.09 -0.18 0.00 -0.37 0.00 0.00 0.00 176.54 176.08 1win n THR 82 N -5.17 1.12 -4.02 4.70 5.66 -1.12 0.78 114.28 116.23 1win n THR 82 Ca -0.10 0.35 -0.35 0.00 -3.05 0.00 0.00 64.05 60.90 1win n THR 82 Cb 0.28 -1.23 -0.09 0.00 -1.55 0.00 0.00 70.33 67.74 1win n THR 82 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1win s LEU 83 N -3.66 3.93 0.47 1.09 2.96 -1.10 -4.75 118.68 117.62 1win s LEU 83 Ca 0.04 0.18 -0.21 0.00 -0.22 0.00 0.00 54.13 53.92 1win s LEU 83 Cb 0.07 -1.97 -0.08 0.00 0.50 0.00 0.00 46.19 44.71 1win s LEU 83 CO 0.25 0.26 1.05 0.42 -1.32 0.00 0.00 176.35 177.01 1win s THR 84 N -0.12 3.72 0.37 3.68 -4.23 -1.26 -3.05 115.64 114.74 1win s THR 84 Ca 0.08 1.13 0.16 0.00 -1.18 0.00 0.00 61.69 61.88 1win s THR 84 Cb -0.12 -3.49 0.37 0.00 1.34 0.00 0.00 72.50 70.59 1win s THR 84 CO 0.01 -0.17 1.74 1.62 -0.54 0.00 0.00 174.62 177.28 1win h VAL 85 N 1.70 0.49 0.37 2.29 3.04 -1.91 -2.21 116.25 120.02 1win h VAL 85 Ca -0.49 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.03 1win h VAL 85 Cb 1.22 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1win h VAL 85 CO 0.60 0.08 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.73 1win h GLU 86 N 0.43 -0.48 -0.93 4.17 5.08 -2.01 -3.24 114.58 117.60 1win h GLU 86 Ca 0.63 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 59.18 1win h GLU 86 Cb 1.49 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.70 1win h GLU 86 CO -0.38 -0.32 -0.33 1.04 -1.00 0.00 0.00 179.01 178.02 1win n GLN 87 N -3.58 -0.19 -0.34 2.33 6.02 -0.88 0.77 117.38 121.52 1win n GLN 87 Ca -0.06 1.43 0.21 0.00 -0.01 0.00 0.00 57.00 58.57 1win n GLN 87 Cb 0.20 -2.13 0.39 0.00 1.02 0.00 0.00 30.24 29.71 1win n GLN 87 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1win h ILE 88 N 0.00 0.00 -0.01 5.09 2.04 -1.46 0.24 117.51 123.41 1win h ILE 88 Ca 0.35 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.19 1win h ILE 88 Cb 0.58 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1win h ILE 88 CO -0.93 0.00 -0.07 1.88 0.00 0.00 0.00 178.15 179.03 1win h TYR 89 N 0.00 0.10 -0.44 1.37 0.05 0.32 -3.13 116.97 115.24 1win h TYR 89 Ca 0.69 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 59.46 1win h TYR 89 Cb 1.58 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 39.25 1win h TYR 89 CO -0.34 0.73 -0.26 1.04 -1.05 0.00 0.00 178.16 178.28 1win n GLN 90 N -4.69 -0.19 -3.71 4.88 1.13 0.81 -3.48 117.38 112.13 1win n GLN 90 Ca -0.09 0.98 -0.29 0.00 -1.94 0.00 0.00 57.00 55.66 1win n GLN 90 Cb 0.37 -1.45 -0.13 0.00 0.11 0.00 0.00 30.24 29.15 1win n GLN 90 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1win s ASP 91 N -4.37 3.61 0.05 1.08 1.01 -1.03 -4.99 116.67 112.03 1win s ASP 91 Ca -0.05 -2.74 -0.30 0.00 0.71 0.00 0.00 52.55 50.17 1win s ASP 91 Cb 0.05 -1.05 -0.18 0.00 1.01 0.00 0.00 42.92 42.75 1win s ASP 91 CO 0.27 -0.25 1.46 0.03 0.21 0.00 0.00 175.17 176.90 1win h ARG 92 N 6.58 -0.79 -0.94 8.23 3.08 -1.57 -2.50 114.38 126.45 1win h ARG 92 Ca 0.01 0.05 0.27 0.00 0.07 0.00 0.00 59.98 60.39 1win h ARG 92 Cb 0.91 0.18 -0.14 0.00 0.08 0.00 0.00 29.97 31.00 1win h ARG 92 CO 0.50 -0.49 0.42 -0.44 -1.07 0.00 0.00 179.97 178.89 1win h ASP 93 N -0.94 0.31 -0.09 7.04 3.32 -1.93 0.13 116.42 124.26 1win h ASP 93 Ca -0.08 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1win h ASP 93 Cb 0.67 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1win h ASP 93 CO 0.14 -0.10 0.05 -0.61 -1.72 0.00 0.00 179.24 176.99 1win h GLN 94 N 0.31 0.12 0.05 3.56 5.75 -1.91 -2.23 115.11 120.76 1win h GLN 94 Ca 0.63 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 59.13 1win h GLN 94 Cb 1.34 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.82 1win h GLN 94 CO -0.60 0.15 -0.42 0.35 -2.65 0.00 0.00 178.83 175.66 1win h PHE 95 N 0.06 -1.22 -0.81 3.99 3.57 -0.31 -1.80 116.94 120.41 1win h PHE 95 Ca 0.03 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.75 1win h PHE 95 Cb 0.06 0.53 -0.12 0.00 2.79 0.00 0.00 35.95 39.21 1win h PHE 95 CO -0.05 -0.46 0.27 0.00 -2.23 0.00 0.00 178.31 175.84 1win h ALA 96 N -0.71 1.15 -1.01 2.41 0.00 -1.44 0.19 119.26 119.85 1win h ALA 96 Ca 0.00 0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.31 1win h ALA 96 Cb 0.58 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1win h ALA 96 CO -0.25 -0.33 0.62 -0.22 0.00 0.00 0.00 179.25 179.07 1win h LYS 97 N 0.33 0.56 -0.23 0.00 3.64 -0.69 0.90 116.57 121.08 1win h LYS 97 Ca 0.47 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.72 1win h LYS 97 Cb 0.84 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1win h LYS 97 CO -0.52 0.37 -0.24 -0.07 -2.27 0.00 0.00 179.45 176.72 1win h LEU 98 N 0.58 0.61 -0.90 5.20 3.38 -0.24 0.83 115.31 124.76 1win h LEU 98 Ca 0.60 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1win h LEU 98 Cb 1.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1win h LEU 98 CO -0.38 0.96 0.51 0.58 0.09 0.00 0.00 178.44 180.20 1win h VAL 99 N 0.27 1.26 0.02 1.22 2.07 -0.60 0.12 116.25 120.61 1win h VAL 99 Ca 0.04 -0.62 -0.23 0.00 0.82 0.00 0.00 66.70 66.71 1win h VAL 99 Cb 0.80 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1win h VAL 99 CO 0.06 0.28 -0.98 0.08 0.02 0.00 0.00 177.57 177.03 1win h ARG 100 N 1.25 0.36 -0.37 1.57 0.11 -0.90 -1.73 114.38 114.67 1win h ARG 100 Ca 0.32 -0.42 -0.11 0.00 0.10 0.00 0.00 59.98 59.87 1win h ARG 100 Cb 0.01 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1win h ARG 100 CO -0.05 1.10 -0.19 0.93 0.10 0.00 0.00 179.97 181.86 1win h GLU 101 N 0.19 0.78 0.00 0.08 5.08 -0.49 0.59 114.58 120.81 1win h GLU 101 Ca -0.08 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 57.83 1win h GLU 101 Cb 1.63 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1win h GLU 101 CO 0.17 0.97 -0.46 -0.24 -1.00 0.00 0.00 179.01 178.44 1win h VAL 102 N 0.58 0.91 0.05 3.13 3.04 -0.83 -3.24 116.25 119.89 1win h VAL 102 Ca 0.08 -1.94 -0.29 0.00 -1.01 0.00 0.00 66.70 63.54 1win h VAL 102 Cb 0.74 2.21 -0.03 0.00 -2.01 0.00 0.00 31.29 32.19 1win h VAL 102 CO 0.06 0.46 -1.59 0.00 -1.01 0.00 0.00 177.57 175.48 1win h ALA 103 N 1.54 0.51 -0.56 3.17 0.00 -1.18 -3.32 119.26 119.43 1win h ALA 103 Ca -0.00 -1.27 0.09 0.00 0.00 0.00 0.00 54.91 53.72 1win h ALA 103 Cb 1.17 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 1win h ALA 103 CO 0.06 1.37 -0.43 0.00 0.00 0.00 0.00 179.25 180.24 1win h ALA 104 N 0.71 -0.33 0.00 0.00 0.00 0.17 0.40 119.26 120.21 1win h ALA 104 Ca -0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1win h ALA 104 Cb 1.98 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.72 1win h ALA 104 CO 0.11 -0.83 0.00 -1.00 0.00 0.00 0.00 179.25 177.53 1win h PRO 105 N -0.24 0.00 0.06 0.00 0.13 -1.74 -3.08 132.00 127.13 1win h PRO 105 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1win h PRO 105 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1win h PRO 105 CO -0.67 0.00 -0.03 -0.44 -0.23 0.00 0.00 178.00 176.63 1win h ASP 106 N 0.00 -0.07 -1.04 1.44 5.19 -0.56 -3.34 116.42 118.05 1win h ASP 106 Ca 0.00 0.00 0.28 0.00 -0.62 0.00 0.00 57.03 56.70 1win h ASP 106 Cb 0.48 0.02 -0.12 0.00 0.18 0.00 0.00 39.33 39.88 1win h ASP 106 CO 0.00 0.37 0.63 -0.37 -3.12 0.00 0.00 179.24 176.75 1win h VAL 107 N -0.92 0.45 -1.06 -1.35 -1.51 -0.48 0.30 116.25 111.68 1win h VAL 107 Ca -0.01 -0.15 0.31 0.00 -1.23 0.00 0.00 66.70 65.62 1win h VAL 107 Cb 0.06 -0.03 -0.04 0.00 -2.13 0.00 0.00 31.29 29.15 1win h VAL 107 CO 0.01 0.08 0.81 1.23 -1.23 0.00 0.00 177.57 178.48 1win h GLY 108 N 0.44 0.00 1.00 5.19 0.00 -1.57 0.14 103.07 108.26 1win h GLY 108 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1win h GLY 108 CO -0.45 0.00 0.26 3.21 0.00 0.00 0.00 176.54 179.55 1win h ARG 109 N 0.00 0.51 0.05 4.80 3.08 -0.56 -2.83 114.38 119.42 1win h ARG 109 Ca 0.50 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 60.29 1win h ARG 109 Cb 2.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 1win h ARG 109 CO -0.01 0.34 -1.03 0.00 -1.07 0.00 0.00 179.97 178.20 1win h MET 110 N 0.52 0.23 0.00 0.04 -0.00 -0.93 -3.47 114.93 111.32 1win h MET 110 Ca 0.14 -0.31 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 1win h MET 110 Cb -0.06 0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 1win h MET 110 CO -0.03 1.07 0.00 0.41 -0.00 0.00 0.00 176.91 178.36 1win n GLY 111 N 1.17 1.23 3.29 -3.00 0.00 -0.54 -3.62 105.19 103.73 1win n GLY 111 Ca -0.05 0.00 -0.27 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 1.87 -0.11 -0.61 -1.09 -1.11 -3.64 121.20 114.50 1win s ILE 112 Ca 0.00 -1.31 0.02 0.00 -2.23 0.00 0.00 60.65 57.13 1win s ILE 112 Cb 0.00 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.25 1win s ILE 112 CO 0.00 0.25 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.08 1win s GLU 113 N -1.27 3.21 0.17 2.79 2.12 -1.22 -3.48 118.70 121.01 1win s GLU 113 Ca 0.09 -0.77 -0.25 0.00 0.36 0.00 0.00 54.97 54.41 1win s GLU 113 Cb -0.09 -2.48 -0.08 0.00 0.26 0.00 0.00 34.13 31.73 1win s GLU 113 CO 0.02 0.22 0.76 0.96 -0.54 0.00 0.00 175.26 176.68 1win s ILE 114 N 0.30 4.40 -0.23 -3.70 -5.25 -1.26 -3.26 121.20 112.19 1win s ILE 114 Ca -0.13 1.65 -0.17 0.00 -0.99 0.00 0.00 60.65 61.01 1win s ILE 114 Cb -0.16 -4.11 -0.13 0.00 2.95 0.00 0.00 42.46 41.01 1win s ILE 114 CO 0.07 0.50 -0.12 0.18 -1.79 0.00 0.00 174.94 173.78 1win n LEU 115 N 1.53 1.90 -3.53 0.37 4.32 -0.26 -5.02 117.00 116.32 1win n LEU 115 Ca -0.06 0.40 -0.14 0.00 -0.02 0.00 0.00 56.01 56.20 1win n LEU 115 Cb 0.49 -0.87 -0.05 0.00 -1.62 0.00 0.00 43.42 41.37 1win n LEU 115 CO 0.46 0.28 0.58 -0.55 -1.22 0.00 0.00 177.39 176.94 1win s SER 116 N -6.93 -0.51 -0.25 -1.43 0.15 -1.21 -4.98 113.70 98.53 1win s SER 116 Ca -0.32 0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 1win s SER 116 Cb 0.09 0.44 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 1win s SER 116 CO 0.50 -0.56 0.03 0.12 1.20 0.00 0.00 173.24 174.53 1win s PHE 117 N -1.68 1.79 0.40 3.44 2.19 -1.26 -1.58 117.98 121.27 1win s PHE 117 Ca -0.04 -1.51 0.07 0.00 0.33 0.00 0.00 56.93 55.78 1win s PHE 117 Cb -0.00 -1.51 -0.08 0.00 -1.31 0.00 0.00 43.02 40.12 1win s PHE 117 CO 0.02 -0.76 -0.01 0.99 1.83 0.00 0.00 175.22 177.29 1win s THR 118 N 1.60 2.02 -0.11 0.12 2.01 0.14 -4.50 115.64 116.92 1win s THR 118 Ca 0.02 -2.03 -0.04 0.00 0.31 0.00 0.00 61.69 59.94 1win s THR 118 Cb -0.18 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1win s THR 118 CO -0.13 -0.03 0.06 -0.63 -0.69 0.00 0.00 174.62 173.20 1win s ILE 119 N -2.71 4.85 0.00 1.82 -1.09 -1.26 -0.13 121.20 122.68 1win s ILE 119 Ca 0.35 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1win s ILE 119 Cb 0.09 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1win s ILE 119 CO 0.18 0.60 0.00 1.17 -1.23 0.00 0.00 174.94 175.66 1win n LYS 120 N 2.20 0.00 -3.78 2.79 3.00 -1.26 -4.76 118.16 116.35 1win n LYS 120 Ca -0.19 0.10 -0.13 0.00 -0.00 0.00 0.00 58.31 58.09 1win n LYS 120 Cb 0.54 -0.51 -0.10 0.00 0.00 0.00 0.00 35.03 34.96 1win n LYS 120 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1win s ASP 121 N -3.09 -0.24 -0.14 3.14 2.15 -1.26 -4.94 116.67 112.29 1win s ASP 121 Ca 0.00 0.36 -0.01 0.00 0.43 0.00 0.00 52.55 53.33 1win s ASP 121 Cb 0.00 0.48 0.04 0.00 -0.30 0.00 0.00 42.92 43.14 1win s ASP 121 CO 0.00 -0.23 -0.03 0.54 -0.17 0.00 0.00 175.17 175.28 1win s VAL 122 N -0.43 0.83 0.35 1.11 0.11 -1.26 -1.02 120.40 120.09 1win s VAL 122 Ca -0.05 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1win s VAL 122 Cb -0.04 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1win s VAL 122 CO 0.02 0.12 0.12 -0.72 -3.33 0.00 0.00 175.10 171.31 1win s TYR 123 N 1.76 1.75 -0.05 1.54 1.13 0.79 -4.96 117.35 119.31 1win s TYR 123 Ca 0.02 -1.23 0.04 0.00 -1.41 0.00 0.00 57.07 54.49 1win s TYR 123 Cb -0.15 -1.07 -0.00 0.00 -1.10 0.00 0.00 41.96 39.64 1win s TYR 123 CO -0.07 -0.31 -0.18 0.34 -2.51 0.00 0.00 175.55 172.82 1win s ASP 124 N -3.48 2.33 0.13 -0.18 -1.08 -1.26 0.70 116.67 113.82 1win s ASP 124 Ca 0.31 -0.39 -0.22 0.00 -0.52 0.00 0.00 52.55 51.73 1win s ASP 124 Cb 0.05 -0.69 -0.03 0.00 -1.46 0.00 0.00 42.92 40.79 1win s ASP 124 CO 0.16 0.16 1.67 0.11 0.52 0.00 0.00 175.17 177.79 1win h LYS 125 N 6.29 -0.18 0.00 4.34 1.57 -1.93 0.13 116.57 126.78 1win h LYS 125 Ca -0.32 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1win h LYS 125 Cb 1.18 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1win h LYS 125 CO 0.48 -0.12 0.00 1.33 -0.57 0.00 0.00 179.45 180.56 1win n VAL 126 N -5.29 0.02 -4.38 0.50 0.24 -1.26 -4.84 118.33 103.31 1win n VAL 126 Ca -0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.89 1win n VAL 126 Cb 0.21 -0.73 -0.08 0.00 -1.47 0.00 0.00 33.84 31.76 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 -1.01 -0.99 -0.04 -1.34 8.00 0.44 -4.81 116.55 116.81 1win n ASP 127 Ca 0.13 -1.21 -0.14 0.00 0.71 0.00 0.00 54.79 54.28 1win n ASP 127 Cb 0.06 -1.54 -0.09 0.00 -0.02 0.00 0.00 41.12 39.53 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 -1.08 0.30 0.22 1.24 5.03 -1.86 -1.17 116.97 119.64 1win h TYR 128 Ca -0.59 -0.12 -0.34 0.00 2.58 0.00 0.00 58.73 60.26 1win h TYR 128 Cb 1.34 -0.05 0.02 0.00 1.55 0.00 0.00 36.73 39.59 1win h TYR 128 CO 0.63 0.79 -1.59 1.37 -1.32 0.00 0.00 178.16 178.04 1win h LEU 129 N -0.27 0.71 -0.29 2.82 8.10 -1.94 -3.16 115.31 121.27 1win h LEU 129 Ca -0.00 -0.88 -0.03 0.00 0.11 0.00 0.00 57.88 57.08 1win h LEU 129 Cb 0.78 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1win h LEU 129 CO 0.04 1.72 0.08 0.28 -4.11 0.00 0.00 178.44 176.44 1win h SER 130 N 0.12 0.44 -2.17 0.17 0.02 -1.93 -3.23 113.55 106.98 1win h SER 130 Ca -0.29 -0.23 -0.72 0.00 -0.84 0.00 0.00 61.79 59.71 1win h SER 130 Cb 2.13 -0.12 -0.32 0.00 0.14 0.00 0.00 62.40 64.23 1win h SER 130 CO 0.23 0.55 0.43 -1.20 -1.14 0.00 0.00 176.83 175.70 1win n SER 131 N -4.68 6.37 0.09 3.07 7.64 -0.44 -4.74 113.62 120.93 1win n SER 131 Ca -0.02 -3.71 -0.04 0.00 1.01 0.00 0.00 58.87 56.11 1win n SER 131 Cb 0.18 -0.93 0.15 0.00 -1.01 0.00 0.00 64.21 62.60 1win n SER 131 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1win h LEU 132 N 3.57 0.23 0.00 -3.43 3.38 -1.56 -3.45 115.31 114.05 1win h LEU 132 Ca 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1win h LEU 132 Cb 0.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1win h LEU 132 CO 1.09 0.75 0.00 0.61 0.09 0.00 0.00 178.44 180.97 1win n GLY 133 N 0.17 0.29 3.37 0.83 0.00 -1.26 -5.09 105.19 103.49 1win n GLY 133 Ca -0.02 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.43 1win n GLY 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1win n LYS 134 N -0.22 0.00 -3.61 1.61 4.81 -1.26 -4.95 118.16 114.54 1win n LYS 134 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1win n LYS 134 Cb 0.00 -1.44 -0.07 0.00 0.02 0.00 0.00 35.03 33.54 1win n LYS 134 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1win s THR 135 N 0.03 0.00 -0.40 3.15 -1.32 -1.26 -4.82 115.64 111.02 1win s THR 135 Ca 0.88 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 61.16 1win s THR 135 Cb -1.22 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 68.78 1win s THR 135 CO 0.55 0.00 0.61 -1.58 -2.21 0.00 0.00 174.62 171.99 1win s GLN 136 N -0.05 3.43 -0.13 7.08 2.00 -1.26 -4.93 119.66 125.79 1win s GLN 136 Ca -0.00 -0.25 -0.11 0.00 -2.00 0.00 0.00 55.36 53.00 1win s GLN 136 Cb -0.04 -3.89 -0.04 0.00 0.80 0.00 0.00 33.01 29.84 1win s GLN 136 CO -0.01 -0.88 -0.22 2.41 -0.50 0.00 0.00 175.29 176.10 1win n THR 137 N 5.70 1.22 -3.98 -0.34 -1.04 -1.26 -4.95 114.28 109.64 1win n THR 137 Ca -0.02 0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.93 1win n THR 137 Cb 0.48 -2.23 -0.16 0.00 -1.82 0.00 0.00 70.33 66.60 1win n THR 137 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1win s SER 138 N -5.48 2.87 -0.46 8.00 0.15 -1.26 -5.02 113.70 112.50 1win s SER 138 Ca -0.18 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 55.91 1win s SER 138 Cb 0.02 -1.11 0.29 0.00 -1.71 0.00 0.00 66.02 63.51 1win s SER 138 CO 0.27 -0.11 1.05 0.61 1.20 0.00 0.00 173.24 176.25 1win n GLY 139 N 4.78 0.30 3.56 9.45 0.00 -1.26 -5.10 105.19 116.92 1win n GLY 139 Ca -0.15 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 0.41 2.80 -0.44 1.61 0.04 -1.26 -4.90 135.00 133.26 1win s PRO 140 Ca 0.26 0.77 -0.45 0.00 0.04 0.00 0.00 61.00 61.62 1win s PRO 140 Cb 0.27 -4.34 -0.19 0.00 0.04 0.00 0.00 34.50 30.28 1win s PRO 140 CO -0.13 -2.52 1.65 0.45 0.04 0.00 0.00 177.00 176.50 1win n SER 141 N 12.12 1.52 -3.58 6.66 2.88 -1.26 -4.91 113.62 127.05 1win n SER 141 Ca 0.21 1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1win n SER 141 Cb 0.51 -0.95 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 1win n SER 141 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1win s SER 142 N 3.23 -0.48 0.00 -3.46 1.04 -1.26 -5.35 113.70 107.42 1win s SER 142 Ca 1.04 0.65 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1win s SER 142 Cb -1.38 0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1win s SER 142 CO 0.77 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.25