#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1win h SER 2 N 0.00 0.31 -3.64 1.61 0.87 -2.10 -3.48 113.55 107.12 1win h SER 2 Ca 0.00 -0.81 -0.09 0.00 -1.23 0.00 0.00 61.79 59.65 1win h SER 2 Cb 0.00 -0.10 -0.24 0.00 -0.44 0.00 0.00 62.40 61.62 1win h SER 2 CO 0.00 1.63 -0.17 -0.55 -0.53 0.00 0.00 176.83 177.21 1win s SER 3 N -6.99 -0.55 0.00 6.23 0.15 -1.26 -5.16 113.70 106.13 1win s SER 3 Ca -0.22 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1win s SER 3 Cb 0.05 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1win s SER 3 CO 0.73 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.60 1win n GLY 4 N 3.35 1.81 3.31 9.45 0.00 -1.26 -5.16 105.19 116.68 1win n GLY 4 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 1win n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1win s SER 5 N 0.73 2.20 -0.11 1.61 0.01 -1.26 -5.14 113.70 111.74 1win s SER 5 Ca 0.00 -1.04 -0.11 0.00 1.31 0.00 0.00 55.95 56.11 1win s SER 5 Cb 0.00 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 1win s SER 5 CO 0.00 -0.27 0.25 -0.55 0.41 0.00 0.00 173.24 173.08 1win s SER 6 N -3.26 6.49 0.00 2.44 0.15 -1.26 -5.08 113.70 113.18 1win s SER 6 Ca 0.21 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1win s SER 6 Cb 0.01 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1win s SER 6 CO 0.04 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1win n GLY 7 N 2.52 4.42 2.55 9.45 0.00 -1.26 -5.08 105.19 117.79 1win n GLY 7 Ca -0.16 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 2.30 -3.64 1.61 0.00 -1.26 -5.05 117.38 111.35 1win n GLN 8 Ca 0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 57.00 53.17 1win n GLN 8 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 30.24 28.38 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 -3.60 0.62 0.59 2.61 6.06 -1.26 -4.93 118.95 119.04 1win s ARG 9 Ca 0.36 0.87 -0.20 0.00 -2.50 0.00 0.00 55.73 54.26 1win s ARG 9 Cb 0.38 0.23 -0.03 0.00 0.06 0.00 0.00 34.95 35.59 1win s ARG 9 CO -0.02 -0.10 1.29 1.51 -2.50 0.00 0.00 175.30 175.48 1win n ILE 10 N 3.13 4.30 -2.97 4.11 0.13 -1.26 -4.97 119.36 121.83 1win n ILE 10 Ca -0.16 -0.50 -0.18 0.00 -1.10 0.00 0.00 62.75 60.81 1win n ILE 10 Cb 0.57 -1.53 -0.02 0.00 -0.84 0.00 0.00 39.64 37.82 1win n ILE 10 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1win n SER 11 N -1.34 1.96 -2.22 9.51 2.88 -1.26 -4.94 113.62 118.21 1win n SER 11 Ca 0.13 -3.12 -0.05 0.00 -1.33 0.00 0.00 58.87 54.50 1win n SER 11 Cb 0.46 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 1win n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1win n LEU 12 N 0.04 -0.09 -4.75 2.46 -0.00 -1.26 -4.81 117.00 108.59 1win n LEU 12 Ca 0.24 0.18 -0.31 0.00 -0.00 0.00 0.00 56.01 56.12 1win n LEU 12 Cb 0.65 -0.79 0.11 0.00 -0.00 0.00 0.00 43.42 43.38 1win n LEU 12 CO 0.26 0.01 0.69 -1.83 -0.00 0.00 0.00 177.39 176.52 1win s GLU 13 N -3.93 2.01 -0.12 1.47 -1.05 -1.26 -4.54 118.70 111.27 1win s GLU 13 Ca 0.09 1.22 -0.08 0.00 -0.15 0.00 0.00 54.97 56.05 1win s GLU 13 Cb -0.05 -1.86 -0.04 0.00 -0.44 0.00 0.00 34.13 31.73 1win s GLU 13 CO 0.11 -1.83 0.15 0.42 0.95 0.00 0.00 175.26 175.05 1win s ILE 14 N -2.86 5.48 -0.03 1.83 1.01 -1.26 -2.19 121.20 123.18 1win s ILE 14 Ca 0.62 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.58 1win s ILE 14 Cb -0.18 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1win s ILE 14 CO 0.56 0.60 -0.25 -0.04 0.00 0.00 0.00 174.94 175.82 1win s MET 15 N -0.93 2.14 -0.43 2.79 -1.94 0.15 -4.95 119.30 116.12 1win s MET 15 Ca 0.15 -0.89 -0.12 0.00 -1.71 0.00 0.00 55.69 53.12 1win s MET 15 Cb -0.12 -2.00 0.07 0.00 2.01 0.00 0.00 34.83 34.79 1win s MET 15 CO 0.04 0.50 0.31 0.99 -0.01 0.00 0.00 175.02 176.84 1win s THR 16 N -0.49 4.65 -0.11 2.05 2.01 -1.26 -1.02 115.64 121.47 1win s THR 16 Ca 0.07 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.86 1win s THR 16 Cb -0.11 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1win s THR 16 CO 0.00 -0.50 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.51 1win s LEU 17 N 1.52 2.61 -0.41 4.42 1.43 -1.13 -4.99 118.68 122.13 1win s LEU 17 Ca 0.03 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1win s LEU 17 Cb -0.23 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.54 1win s LEU 17 CO 0.04 0.19 0.16 0.00 0.23 0.00 0.00 176.35 176.97 1win s GLN 18 N 0.17 1.79 -0.27 1.70 0.00 -1.26 -2.43 119.66 119.35 1win s GLN 18 Ca -0.09 -2.06 -0.29 0.00 -0.00 0.00 0.00 55.36 52.93 1win s GLN 18 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 33.01 29.47 1win s GLN 18 CO 0.05 -1.02 1.65 -1.25 0.00 0.00 0.00 175.29 174.72 1win s PRO 19 N 0.66 3.64 0.02 9.60 0.04 -1.24 -4.88 135.00 142.84 1win s PRO 19 Ca 0.12 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.72 1win s PRO 19 Cb -0.21 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 1win s PRO 19 CO -0.05 -1.49 -0.11 0.50 0.04 0.00 0.00 177.00 175.89 1win s ARG 20 N 4.99 2.38 -0.12 4.56 3.52 -1.00 -3.76 118.95 129.52 1win s ARG 20 Ca 0.73 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1win s ARG 20 Cb -0.23 -2.39 0.04 0.00 -1.56 0.00 0.00 34.95 30.81 1win s ARG 20 CO 0.31 0.58 0.02 0.00 -0.81 0.00 0.00 175.30 175.40 1win s GLU 22 N 1.94 1.34 -1.20 0.00 -1.05 -1.26 -1.62 118.70 116.85 1win s GLU 22 Ca 0.03 -1.37 -0.03 0.00 -0.15 0.00 0.00 54.97 53.46 1win s GLU 22 Cb -0.14 -1.65 0.00 0.00 -0.44 0.00 0.00 34.13 31.90 1win s GLU 22 CO -0.06 0.37 1.02 -0.25 0.95 0.00 0.00 175.26 177.29 1win n ASP 23 N 0.65 -3.30 -4.02 0.83 8.00 -1.10 -4.98 116.55 112.62 1win n ASP 23 Ca -0.16 -0.58 -0.33 0.00 0.71 0.00 0.00 54.79 54.44 1win n ASP 23 Cb 0.55 -4.94 -0.12 0.00 -0.02 0.00 0.00 41.12 36.58 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1win s VAL 24 N -3.34 3.03 -0.29 2.53 -7.23 -1.23 -4.90 120.40 108.96 1win s VAL 24 Ca 0.17 -2.99 -0.36 0.00 -1.81 0.00 0.00 61.98 56.99 1win s VAL 24 Cb -0.08 -3.06 -0.12 0.00 0.56 0.00 0.00 36.38 33.69 1win s VAL 24 CO 0.70 -0.80 2.06 -0.62 -0.31 0.00 0.00 175.10 176.14 1win n GLU 25 N 3.48 1.28 -0.39 4.82 1.02 -1.26 -3.32 120.64 126.27 1win n GLU 25 Ca 0.05 0.40 -0.27 0.00 -0.02 0.00 0.00 57.16 57.33 1win n GLU 25 Cb 0.36 -2.44 0.25 0.00 -0.02 0.00 0.00 31.44 29.59 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 6.43 0.00 0.01 2.62 -2.24 0.64 -4.64 114.28 117.10 1win n THR 26 Ca 0.35 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.91 1win n THR 26 Cb 0.23 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.24 -0.31 -0.34 6.98 0.00 0.66 -0.69 119.26 122.31 1win h ALA 27 Ca -0.35 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1win h ALA 27 Cb 1.15 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1win h ALA 27 CO 0.22 -0.76 0.23 1.05 0.00 0.00 0.00 179.25 179.99 1win h GLU 28 N -0.37 0.36 0.00 0.00 -0.00 -1.85 -3.46 114.58 109.27 1win h GLU 28 Ca 0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.43 1win h GLU 28 Cb 0.51 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 1win h GLU 28 CO -0.33 0.24 0.00 0.41 -0.00 0.00 0.00 179.01 179.33 1win n GLY 29 N -1.51 0.84 2.74 1.06 0.00 -0.27 -5.14 105.19 102.92 1win n GLY 29 Ca 0.03 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.25 0.20 -0.00 1.61 1.01 -1.25 -4.78 120.40 116.94 1win s VAL 30 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1win s VAL 30 Cb 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1win s VAL 30 CO 0.00 0.23 1.46 0.00 0.00 0.00 0.00 175.10 176.79 1win s ALA 31 N 1.99 3.61 0.34 5.51 0.00 -1.26 -0.26 121.76 131.68 1win s ALA 31 Ca 0.04 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.01 1win s ALA 31 Cb -0.12 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.31 1win s ALA 31 CO -0.04 -1.00 -0.07 -0.51 0.00 0.00 0.00 175.76 174.14 1win s LEU 32 N 2.63 2.70 -0.20 0.00 2.01 -1.21 -3.89 118.68 120.72 1win s LEU 32 Ca 0.66 -1.23 -0.01 0.00 0.01 0.00 0.00 54.13 53.56 1win s LEU 32 Cb -0.33 -0.91 0.06 0.00 0.01 0.00 0.00 46.19 45.03 1win s LEU 32 CO 0.27 -0.27 -0.00 -0.89 1.01 0.00 0.00 176.35 176.47 1win s THR 33 N -2.71 0.90 -0.25 5.49 2.01 0.34 -2.72 115.64 118.70 1win s THR 33 Ca 0.32 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1win s THR 33 Cb 0.04 -1.30 0.06 0.00 0.01 0.00 0.00 72.50 71.31 1win s THR 33 CO 0.16 -0.14 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.15 1win s VAL 34 N 1.69 2.03 0.10 3.82 1.01 -0.64 0.14 120.40 128.55 1win s VAL 34 Ca -0.02 -1.48 -0.27 0.00 0.00 0.00 0.00 61.98 60.21 1win s VAL 34 Cb -0.17 -2.14 -0.12 0.00 0.00 0.00 0.00 36.38 33.95 1win s VAL 34 CO -0.07 0.02 1.66 0.74 0.00 0.00 0.00 175.10 177.45 1win h THR 35 N 6.66 0.53 -2.87 3.92 2.02 -1.55 -1.63 112.91 119.98 1win h THR 35 Ca -0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1win h THR 35 Cb 1.06 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1win h THR 35 CO 0.47 0.00 -0.70 0.61 0.37 0.00 0.00 175.52 176.27 1win n GLY 36 N -1.34 -4.31 3.01 2.16 0.00 -1.25 -2.39 105.19 101.08 1win n GLY 36 Ca -0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.87 -0.10 0.00 1.61 1.01 -0.08 -3.67 120.40 116.31 1win s VAL 37 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 1win s VAL 37 Cb 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 1win s VAL 37 CO 0.00 0.08 0.11 0.00 0.00 0.00 0.00 175.10 175.28 1win s ALA 38 N 1.45 -0.25 -0.22 5.51 0.00 -1.02 0.04 121.76 127.28 1win s ALA 38 Ca -0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 1win s ALA 38 Cb -0.11 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1win s ALA 38 CO -0.08 -0.19 0.06 -1.14 0.00 0.00 0.00 175.76 174.41 1win s GLN 39 N -1.31 3.78 0.29 0.00 2.00 -1.03 -2.82 119.66 120.57 1win s GLN 39 Ca -0.14 -0.43 0.10 0.00 -2.00 0.00 0.00 55.36 52.89 1win s GLN 39 Cb -0.08 -3.26 -0.06 0.00 0.80 0.00 0.00 33.01 30.42 1win s GLN 39 CO 0.01 0.01 -0.15 0.54 -0.50 0.00 0.00 175.29 175.21 1win s VAL 40 N 1.07 2.25 -0.05 1.34 0.11 -0.19 -2.25 120.40 122.69 1win s VAL 40 Ca 0.04 -2.29 -0.29 0.00 -2.93 0.00 0.00 61.98 56.50 1win s VAL 40 Cb -0.14 -2.41 0.07 0.00 -1.53 0.00 0.00 36.38 32.36 1win s VAL 40 CO 0.03 -0.34 0.65 -1.59 -3.33 0.00 0.00 175.10 170.51 1win s LYS 41 N -3.58 1.02 0.32 1.54 0.00 -1.20 0.31 119.74 118.15 1win s LYS 41 Ca 0.30 0.22 -0.29 0.00 0.00 0.00 0.00 55.97 56.20 1win s LYS 41 Cb -0.01 0.48 -0.10 0.00 0.00 0.00 0.00 37.83 38.20 1win s LYS 41 CO 0.14 -0.32 1.31 0.42 0.00 0.00 0.00 175.35 176.91 1win s ILE 42 N -1.20 2.74 0.23 3.79 -1.09 -0.93 -3.28 121.20 121.46 1win s ILE 42 Ca -0.11 0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 58.74 1win s ILE 42 Cb -0.01 -3.47 -0.09 0.00 -1.58 0.00 0.00 42.46 37.32 1win s ILE 42 CO 0.09 0.17 0.94 -0.04 -1.23 0.00 0.00 174.94 174.87 1win s MET 43 N -1.61 4.85 1.08 2.79 -1.94 -1.22 -4.73 119.30 118.53 1win s MET 43 Ca 0.50 1.48 -0.21 0.00 -1.71 0.00 0.00 55.69 55.75 1win s MET 43 Cb -0.40 -3.28 0.03 0.00 2.01 0.00 0.00 34.83 33.19 1win s MET 43 CO 0.51 0.51 -0.40 2.41 -0.01 0.00 0.00 175.02 178.04 1win n THR 44 N 1.56 0.00 -1.16 2.05 -1.04 -1.26 -4.86 114.28 109.56 1win n THR 44 Ca -0.02 -0.21 -0.24 0.00 -2.04 0.00 0.00 64.05 61.54 1win n THR 44 Cb 0.47 -0.44 0.16 0.00 -1.82 0.00 0.00 70.33 68.71 1win n THR 44 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1win n GLU 45 N -0.86 2.25 -0.36 -2.82 -0.00 -1.26 -4.65 120.64 112.94 1win n GLU 45 Ca 0.00 -2.93 0.28 0.00 -0.00 0.00 0.00 57.16 54.52 1win n GLU 45 Cb 0.64 -2.15 0.54 0.00 -0.00 0.00 0.00 31.44 30.48 1win n GLU 45 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1win h LYS 46 N 1.07 0.22 -5.01 3.44 1.63 -2.03 -3.42 116.57 112.47 1win h LYS 46 Ca 0.61 -0.01 -0.57 0.00 -0.85 0.00 0.00 60.65 59.83 1win h LYS 46 Cb 2.59 -0.05 -0.13 0.00 -0.60 0.00 0.00 32.23 34.04 1win h LYS 46 CO 1.12 0.15 -0.50 -1.21 -3.45 0.00 0.00 179.45 175.56 1win s GLU 47 N -5.53 1.96 -0.84 1.90 0.41 -1.26 -5.02 118.70 110.32 1win s GLU 47 Ca -0.09 -2.20 -0.13 0.00 -0.41 0.00 0.00 54.97 52.14 1win s GLU 47 Cb 0.30 -0.49 -0.26 0.00 -1.78 0.00 0.00 34.13 31.90 1win s GLU 47 CO 0.80 -0.53 1.95 1.28 -0.49 0.00 0.00 175.26 178.27 1win n LEU 48 N -0.92 -0.81 -1.01 1.80 7.99 -1.26 -4.67 117.00 118.12 1win n LEU 48 Ca -0.05 -0.28 0.03 0.00 -0.01 0.00 0.00 56.01 55.70 1win n LEU 48 Cb 0.64 -0.54 0.16 0.00 -0.11 0.00 0.00 43.42 43.56 1win n LEU 48 CO 0.34 -1.04 0.50 -0.11 -1.51 0.00 0.00 177.39 175.57 1win n LEU 49 N 5.89 2.76 0.00 2.23 -0.00 -1.26 -4.12 117.00 122.49 1win n LEU 49 Ca 0.57 -1.39 0.08 0.00 -0.00 0.00 0.00 56.01 55.26 1win n LEU 49 Cb 0.09 -0.55 0.46 0.00 -0.00 0.00 0.00 43.42 43.42 1win n LEU 49 CO 0.89 0.39 0.69 0.00 -0.00 0.00 0.00 177.39 179.36 1win n ALA 50 N 0.25 2.25 0.02 1.96 0.00 -1.26 -2.10 120.51 121.63 1win n ALA 50 Ca 0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1win n ALA 50 Cb 0.60 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 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 1.09 0.00 0.00 3.04 -1.88 -3.37 116.25 115.13 1win h VAL 51 Ca 0.00 -2.84 -0.35 0.00 -1.01 0.00 0.00 66.70 62.50 1win h VAL 51 Cb 0.00 2.62 -0.07 0.00 -2.01 0.00 0.00 31.29 31.84 1win h VAL 51 CO 0.00 0.73 -2.33 0.00 -1.01 0.00 0.00 177.57 174.96 1win n ALA 52 N -2.59 1.51 -0.02 3.17 0.00 -1.10 -4.14 120.51 117.34 1win n ALA 52 Ca -0.15 -1.16 -0.02 0.00 0.00 0.00 0.00 53.44 52.11 1win n ALA 52 Cb 1.03 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 20.35 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 -3.10 0.03 0.15 0.00 4.07 -1.26 0.56 120.64 121.09 1win n GLU 54 Ca -0.01 0.39 0.08 0.00 -0.06 0.00 0.00 57.16 57.56 1win n GLU 54 Cb 0.05 -1.57 0.06 0.00 -0.06 0.00 0.00 31.44 29.92 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 -0.65 -3.40 115.11 120.52 1win h GLN 55 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1win h GLN 55 Cb 0.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1win h GLN 55 CO 0.00 0.18 -1.00 1.19 -1.93 0.00 0.00 178.83 177.27 1win n PHE 56 N -3.01 0.00 -1.39 3.99 3.72 0.48 -4.95 117.46 116.30 1win n PHE 56 Ca 0.01 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.87 1win n PHE 56 Cb 0.63 -0.11 -0.07 0.00 -0.94 0.00 0.00 39.48 39.00 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 -3.23 -0.17 0.00 4.37 4.77 0.19 -1.01 117.00 121.93 1win n LEU 57 Ca -0.06 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1win n LEU 57 Cb 0.46 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1win n LEU 57 CO 0.01 -1.93 0.00 0.61 -1.33 0.00 0.00 177.39 174.75 1win n GLY 58 N 1.47 2.96 2.12 -0.72 0.00 -1.26 -4.85 105.19 104.91 1win n GLY 58 Ca 0.18 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 1win n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1win n LYS 59 N 0.00 -1.49 -4.17 1.61 5.02 -0.18 -5.07 118.16 113.88 1win n LYS 59 Ca 0.00 -1.09 -0.30 0.00 -2.02 0.00 0.00 58.31 54.90 1win n LYS 59 Cb 0.00 -0.86 -0.09 0.00 -0.02 0.00 0.00 35.03 34.06 1win n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1win s ASN 60 N -3.50 4.75 0.25 4.39 0.01 -1.26 -5.01 114.94 114.57 1win s ASN 60 Ca 0.42 -0.28 -0.11 0.00 -0.71 0.00 0.00 52.86 52.18 1win s ASN 60 Cb -0.03 -1.04 0.36 0.00 0.41 0.00 0.00 41.25 40.96 1win s ASN 60 CO 0.31 0.17 1.47 1.33 -1.51 0.00 0.00 177.10 178.86 1win n VAL 61 N 0.55 -0.43 -0.33 1.60 0.24 -1.26 0.14 118.33 118.84 1win n VAL 61 Ca -0.12 2.18 0.17 0.00 -2.04 0.00 0.00 64.34 64.53 1win n VAL 61 Cb 0.52 -2.96 0.38 0.00 -1.47 0.00 0.00 33.84 30.31 1win n VAL 61 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1win h GLN 62 N 0.00 0.49 0.30 7.34 3.07 -2.00 -2.04 115.11 122.26 1win h GLN 62 Ca 0.41 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 59.10 1win h GLN 62 Cb 0.64 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.10 1win h GLN 62 CO -0.96 0.32 -0.16 0.22 0.09 0.00 0.00 178.83 178.35 1win h ASP 63 N 0.50 -0.38 -0.86 0.06 1.82 0.91 -2.48 116.42 115.98 1win h ASP 63 Ca 0.64 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 57.40 1win h ASP 63 Cb 1.25 0.10 -0.12 0.00 0.68 0.00 0.00 39.33 41.25 1win h ASP 63 CO -0.51 -0.26 -0.51 0.40 -1.61 0.00 0.00 179.24 176.75 1win h ILE 64 N -0.42 0.01 -0.95 2.25 5.03 -1.28 0.53 117.51 122.69 1win h ILE 64 Ca -0.04 0.00 0.28 0.00 -0.12 0.00 0.00 64.86 64.98 1win h ILE 64 Cb 0.32 0.01 -0.15 0.00 -3.03 0.00 0.00 36.82 33.98 1win h ILE 64 CO 0.06 0.00 0.43 0.11 -0.68 0.00 0.00 178.15 178.07 1win h LYS 65 N -0.09 0.28 0.53 2.37 1.57 -1.39 -0.42 116.57 119.42 1win h LYS 65 Ca 0.20 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1win h LYS 65 Cb 0.50 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1win h LYS 65 CO -0.87 0.18 -0.26 -0.91 -0.57 0.00 0.00 179.45 177.03 1win h ASN 66 N 0.28 -0.61 -0.24 0.86 2.35 0.51 0.17 115.58 118.90 1win h ASN 66 Ca 0.66 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 56.39 1win h ASN 66 Cb 1.43 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.90 1win h ASN 66 CO -0.63 -0.29 -0.48 0.58 -1.65 0.00 0.00 177.43 174.97 1win h VAL 67 N -0.93 0.00 -0.18 2.81 2.07 -0.07 0.28 116.25 120.22 1win h VAL 67 Ca -0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1win h VAL 67 Cb 0.62 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1win h VAL 67 CO 0.12 0.00 0.07 0.58 0.02 0.00 0.00 177.57 178.36 1win h VAL 68 N -0.42 0.97 -1.00 2.57 2.07 -1.33 -2.28 116.25 116.83 1win h VAL 68 Ca 0.05 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 67.69 1win h VAL 68 Cb 0.55 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 1win h VAL 68 CO -0.45 0.03 0.62 0.25 0.02 0.00 0.00 177.57 178.04 1win h LEU 69 N 0.17 0.79 0.33 2.57 5.85 -0.03 -1.78 115.31 123.21 1win h LEU 69 Ca 0.08 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1win h LEU 69 Cb 0.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1win h LEU 69 CO -0.07 0.30 -0.23 1.56 -0.34 0.00 0.00 178.44 179.66 1win h GLN 70 N 0.78 -0.53 -0.83 1.25 4.20 0.13 0.72 115.11 120.84 1win h GLN 70 Ca 0.56 0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.44 1win h GLN 70 Cb 0.86 0.12 -0.14 0.00 0.30 0.00 0.00 27.48 28.62 1win h GLN 70 CO -0.35 -0.35 -0.36 1.15 -0.67 0.00 0.00 178.83 178.24 1win h THR 71 N -0.55 0.07 0.34 -0.54 2.02 -1.14 0.29 112.91 113.41 1win h THR 71 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1win h THR 71 Cb 0.47 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1win h THR 71 CO 0.01 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.67 1win h LEU 72 N -0.07 -0.39 -0.10 2.58 3.38 -1.41 -3.11 115.31 116.19 1win h LEU 72 Ca 0.30 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1win h LEU 72 Cb 0.58 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1win h LEU 72 CO -0.86 -0.05 -0.18 -0.08 0.09 0.00 0.00 178.44 177.36 1win h GLU 73 N -0.77 -0.14 -0.85 1.13 4.22 0.15 -1.51 114.58 116.82 1win h GLU 73 Ca -0.05 0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.53 1win h GLU 73 Cb 0.51 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.66 1win h GLU 73 CO 0.08 -0.09 -0.34 0.41 -2.18 0.00 0.00 179.01 176.88 1win n GLY 74 N -1.12 -1.77 0.24 1.92 0.00 0.93 0.15 105.19 105.54 1win n GLY 74 Ca -0.01 0.95 -0.09 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.51 -0.97 1.61 3.86 -1.31 -2.25 115.15 115.58 1win h HIS 75 Ca 0.28 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.68 1win h HIS 75 Cb 0.50 0.25 -0.16 0.00 1.06 0.00 0.00 27.41 29.06 1win h HIS 75 CO -0.75 -0.27 -0.37 -0.11 0.86 0.00 0.00 177.93 177.29 1win n LEU 76 N -5.34 -0.61 -0.31 2.43 7.94 0.12 0.92 117.00 122.17 1win n LEU 76 Ca -0.02 1.69 -0.04 0.00 -1.11 0.00 0.00 56.01 56.52 1win n LEU 76 Cb 0.25 -0.40 0.08 0.00 0.53 0.00 0.00 43.42 43.88 1win n LEU 76 CO 0.19 -1.53 1.18 -0.09 -1.11 0.00 0.00 177.39 176.03 1win h ARG 77 N 0.00 1.13 0.81 1.96 1.12 -1.19 -1.08 114.38 117.14 1win h ARG 77 Ca 0.35 -0.11 -0.04 0.00 -1.11 0.00 0.00 59.98 59.07 1win h ARG 77 Cb 0.59 -0.23 0.01 0.00 -0.01 0.00 0.00 29.97 30.32 1win h ARG 77 CO -0.96 0.80 -0.39 0.77 -3.11 0.00 0.00 179.97 177.08 1win h SER 78 N 1.14 -0.92 -0.15 -3.80 0.02 0.11 0.16 113.55 110.11 1win h SER 78 Ca 0.30 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1win h SER 78 Cb -0.03 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1win h SER 78 CO -0.05 -0.60 0.18 0.40 -1.14 0.00 0.00 176.83 175.62 1win h ILE 79 N -1.19 0.44 0.23 3.27 1.08 -0.36 -0.97 117.51 120.01 1win h ILE 79 Ca -0.11 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.03 1win h ILE 79 Cb 0.85 0.85 0.03 0.00 -3.07 0.00 0.00 36.82 35.48 1win h ILE 79 CO 0.18 0.00 -1.48 0.25 -0.69 0.00 0.00 178.15 176.42 1win h LEU 80 N 0.00 0.77 -0.25 1.44 6.46 -0.81 -3.13 115.31 119.80 1win h LEU 80 Ca 0.07 -0.85 0.04 0.00 -0.12 0.00 0.00 57.88 57.02 1win h LEU 80 Cb 0.44 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1win h LEU 80 CO -0.00 1.67 0.03 1.23 -0.62 0.00 0.00 178.44 180.75 1win h GLY 81 N 0.42 0.26 2.00 3.75 0.00 0.72 -1.56 103.07 108.66 1win h GLY 81 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1win h GLY 81 CO 0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 176.54 176.62 1win h THR 82 N 0.11 0.49 -2.87 4.70 1.03 -1.63 0.14 112.91 114.88 1win h THR 82 Ca 0.11 -0.80 -0.47 0.00 -0.01 0.00 0.00 66.41 65.24 1win h THR 82 Cb 0.13 1.55 0.02 0.00 -1.07 0.00 0.00 68.15 68.77 1win h THR 82 CO -0.17 0.15 -0.14 -0.76 -0.01 0.00 0.00 175.52 174.59 1win s LEU 83 N -6.89 3.92 0.43 0.00 1.43 -0.59 -4.69 118.68 112.29 1win s LEU 83 Ca -0.01 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1win s LEU 83 Cb 0.11 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1win s LEU 83 CO 0.60 -0.39 0.62 0.42 0.23 0.00 0.00 176.35 177.83 1win s THR 84 N -2.40 3.71 0.15 5.49 -4.23 -1.26 -1.29 115.64 115.81 1win s THR 84 Ca 0.42 -0.73 -0.13 0.00 -1.18 0.00 0.00 61.69 60.07 1win s THR 84 Cb -0.10 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.44 1win s THR 84 CO 0.37 -0.19 1.65 1.62 -0.54 0.00 0.00 174.62 177.53 1win h VAL 85 N 0.52 1.24 -0.75 2.29 3.04 -1.91 -2.33 116.25 118.35 1win h VAL 85 Ca -0.45 -0.88 -0.01 0.00 -1.01 0.00 0.00 66.70 64.35 1win h VAL 85 Cb 1.26 0.84 -0.04 0.00 -2.01 0.00 0.00 31.29 31.34 1win h VAL 85 CO 0.54 0.32 0.42 1.05 -1.01 0.00 0.00 177.57 178.88 1win h GLU 86 N 0.71 1.04 0.03 4.17 4.11 -2.00 -2.80 114.58 119.84 1win h GLU 86 Ca 0.16 -0.11 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 1win h GLU 86 Cb 0.35 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1win h GLU 86 CO 0.00 0.76 -0.01 1.96 0.07 0.00 0.00 179.01 181.79 1win h GLN 87 N 1.05 -0.03 -1.00 1.06 1.08 -1.90 0.10 115.11 115.46 1win h GLN 87 Ca 0.27 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.69 1win h GLN 87 Cb 0.02 0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.35 1win h GLN 87 CO -0.04 0.20 0.61 0.82 -0.95 0.00 0.00 178.83 179.47 1win h ILE 88 N -0.26 0.63 0.00 2.54 2.04 -1.21 -1.68 117.51 119.57 1win h ILE 88 Ca -0.00 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1win h ILE 88 Cb 0.25 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1win h ILE 88 CO 0.01 0.12 -0.19 1.88 0.00 0.00 0.00 178.15 179.96 1win h TYR 89 N 0.65 0.19 -0.59 1.37 0.05 -1.31 -3.28 116.97 114.04 1win h TYR 89 Ca 0.60 -0.10 0.05 0.00 0.05 0.00 0.00 58.73 59.33 1win h TYR 89 Cb 1.09 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.73 1win h TYR 89 CO -0.00 0.92 -0.35 1.04 -1.05 0.00 0.00 178.16 178.71 1win n GLN 90 N -4.55 -0.26 -3.49 4.88 1.13 0.01 -4.17 117.38 110.93 1win n GLN 90 Ca -0.10 1.07 -0.20 0.00 -1.94 0.00 0.00 57.00 55.83 1win n GLN 90 Cb 0.48 -1.57 -0.13 0.00 0.11 0.00 0.00 30.24 29.13 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 -4.85 1.72 0.05 1.08 1.01 -1.12 -5.02 116.67 109.54 1win s ASP 91 Ca -0.07 -0.46 -0.16 0.00 0.71 0.00 0.00 52.55 52.57 1win s ASP 91 Cb 0.07 0.28 -0.22 0.00 1.01 0.00 0.00 42.92 44.05 1win s ASP 91 CO 0.37 -0.35 1.17 0.03 0.21 0.00 0.00 175.17 176.60 1win h ARG 92 N 8.32 0.60 -0.92 8.23 3.08 -1.72 -3.17 114.38 128.80 1win h ARG 92 Ca -0.17 -0.62 0.24 0.00 0.07 0.00 0.00 59.98 59.51 1win h ARG 92 Cb 1.12 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 31.21 1win h ARG 92 CO 0.31 1.23 0.39 -0.44 -1.07 0.00 0.00 179.97 180.39 1win h ASP 93 N 0.22 0.29 -0.28 7.04 3.32 -1.95 0.14 116.42 125.20 1win h ASP 93 Ca -0.10 0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1win h ASP 93 Cb 1.51 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 1win h ASP 93 CO 0.17 -0.06 -0.17 -0.61 -1.72 0.00 0.00 179.24 176.84 1win h GLN 94 N 0.35 0.61 0.16 3.56 -0.00 -1.98 -3.00 115.11 114.80 1win h GLN 94 Ca 0.59 -0.28 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 1win h GLN 94 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.64 1win h GLN 94 CO -0.57 0.87 -0.33 0.35 0.00 0.00 0.00 178.83 179.15 1win h PHE 95 N 0.35 -0.93 -0.82 3.99 3.57 -0.73 -2.34 116.94 120.03 1win h PHE 95 Ca 0.06 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.78 1win h PHE 95 Cb 0.71 0.39 -0.14 0.00 2.79 0.00 0.00 35.95 39.70 1win h PHE 95 CO 0.07 -0.39 0.08 0.00 -2.23 0.00 0.00 178.31 175.83 1win h ALA 96 N -1.03 0.97 -0.97 2.41 0.00 -1.42 0.34 119.26 119.58 1win h ALA 96 Ca -0.02 0.25 0.25 0.00 0.00 0.00 0.00 54.91 55.39 1win h ALA 96 Cb 0.50 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 1win h ALA 96 CO -0.13 -0.45 0.52 -0.22 0.00 0.00 0.00 179.25 178.97 1win h LYS 97 N 0.13 0.46 -0.31 0.00 3.64 -1.28 0.28 116.57 119.49 1win h LYS 97 Ca 0.47 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.65 1win h LYS 97 Cb 0.89 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1win h LYS 97 CO -0.69 0.30 -0.49 -0.07 -2.27 0.00 0.00 179.45 176.24 1win h LEU 98 N 0.47 0.96 -0.98 5.20 3.38 -0.06 -0.76 115.31 123.52 1win h LEU 98 Ca 0.63 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1win h LEU 98 Cb 1.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1win h LEU 98 CO -0.52 1.28 0.10 0.58 0.09 0.00 0.00 178.44 179.97 1win h VAL 99 N 0.68 1.23 0.00 1.22 2.07 -0.07 -0.77 116.25 120.61 1win h VAL 99 Ca 0.03 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1win h VAL 99 Cb 1.09 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1win h VAL 99 CO 0.11 0.32 -0.49 0.08 0.02 0.00 0.00 177.57 177.61 1win h ARG 100 N 0.80 0.00 0.01 1.57 0.11 -0.76 -2.93 114.38 113.19 1win h ARG 100 Ca 0.17 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.99 1win h ARG 100 Cb 0.34 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.44 1win h ARG 100 CO 0.00 0.42 -1.03 0.93 0.10 0.00 0.00 179.97 180.39 1win h GLU 101 N 0.00 0.68 0.00 0.08 5.08 -0.68 0.57 114.58 120.31 1win h GLU 101 Ca -0.01 -0.75 -0.07 0.00 -1.00 0.00 0.00 59.36 57.53 1win h GLU 101 Cb 1.34 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1win h GLU 101 CO 0.05 1.32 -0.35 -0.24 -1.00 0.00 0.00 179.01 178.79 1win h VAL 102 N 0.35 0.76 0.07 3.13 3.04 -1.23 -3.28 116.25 119.09 1win h VAL 102 Ca -0.13 -1.55 -0.37 0.00 -1.01 0.00 0.00 66.70 63.63 1win h VAL 102 Cb 1.69 1.99 -0.04 0.00 -2.01 0.00 0.00 31.29 32.92 1win h VAL 102 CO 0.20 0.35 -2.19 0.00 -1.01 0.00 0.00 177.57 174.91 1win n ALA 103 N -2.25 1.13 -0.27 3.17 0.00 -1.11 -4.01 120.51 117.17 1win n ALA 103 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 53.44 52.56 1win n ALA 103 Cb 0.54 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1win n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win n ALA 104 N -3.09 -0.42 0.18 0.00 0.00 0.20 0.17 120.51 117.55 1win n ALA 104 Ca -0.37 0.56 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1win n ALA 104 Cb 1.03 -0.08 0.34 0.00 0.00 0.00 0.00 19.45 20.74 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 0.38 0.00 0.13 -1.79 -2.86 132.00 127.86 1win h PRO 105 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1win h PRO 105 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1win h PRO 105 CO -0.61 0.41 -0.18 0.22 -0.23 0.00 0.00 178.00 177.60 1win h ASP 106 N 0.00 -0.44 -0.86 1.44 1.82 0.16 -3.12 116.42 115.42 1win h ASP 106 Ca -0.00 -0.11 0.02 0.00 -0.39 0.00 0.00 57.03 56.55 1win h ASP 106 Cb 0.80 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.88 1win h ASP 106 CO 0.05 -0.13 0.57 -0.37 -1.61 0.00 0.00 179.24 177.75 1win h VAL 107 N -0.75 1.20 -1.40 2.25 -1.51 -0.66 -2.23 116.25 113.15 1win h VAL 107 Ca -0.05 -0.39 0.41 0.00 -1.23 0.00 0.00 66.70 65.44 1win h VAL 107 Cb 0.52 -0.04 -0.07 0.00 -2.13 0.00 0.00 31.29 29.56 1win h VAL 107 CO 0.09 0.21 0.98 1.23 -1.23 0.00 0.00 177.57 178.85 1win h GLY 108 N 1.14 0.34 0.85 5.19 0.00 -1.43 0.37 103.07 109.52 1win h GLY 108 Ca 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1win h GLY 108 CO -0.08 -0.08 0.03 3.21 0.00 0.00 0.00 176.54 179.63 1win h ARG 109 N 0.06 0.37 -0.19 4.80 3.08 -1.47 -3.09 114.38 117.94 1win h ARG 109 Ca 0.71 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 60.49 1win h ARG 109 Cb 2.62 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.63 1win h ARG 109 CO -0.10 0.51 -0.54 0.52 -1.07 0.00 0.00 179.97 179.28 1win h MET 110 N 0.17 0.58 0.00 0.04 2.86 -0.50 -3.47 114.93 114.61 1win h MET 110 Ca 0.07 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1win h MET 110 Cb 0.32 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1win h MET 110 CO 0.00 0.97 0.00 0.41 1.06 0.00 0.00 176.91 179.36 1win n GLY 111 N 0.26 1.27 3.68 8.32 0.00 -0.19 -3.78 105.19 114.75 1win n GLY 111 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.73 4.55 0.05 -0.61 -1.09 -1.08 -3.39 121.20 117.90 1win s ILE 112 Ca 0.00 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.33 1win s ILE 112 Cb 0.00 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1win s ILE 112 CO 0.00 0.57 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.49 1win s GLU 113 N -0.52 2.34 -0.15 2.79 -6.30 -1.21 -3.09 118.70 112.56 1win s GLU 113 Ca 0.10 -0.87 -0.08 0.00 -2.50 0.00 0.00 54.97 51.61 1win s GLU 113 Cb -0.12 -2.39 -0.04 0.00 0.00 0.00 0.00 34.13 31.58 1win s GLU 113 CO 0.02 0.56 0.14 0.96 0.02 0.00 0.00 175.26 176.96 1win s ILE 114 N -1.08 5.46 -0.18 -3.70 -5.25 -1.26 -3.24 121.20 111.95 1win s ILE 114 Ca 0.19 0.21 -0.16 0.00 -0.99 0.00 0.00 60.65 59.89 1win s ILE 114 Cb -0.11 -3.43 -0.11 0.00 2.95 0.00 0.00 42.46 41.75 1win s ILE 114 CO 0.10 0.54 -0.01 0.18 -1.79 0.00 0.00 174.94 173.96 1win n LEU 115 N 2.66 1.85 -3.55 0.37 4.77 -0.95 -5.04 117.00 117.11 1win n LEU 115 Ca -0.18 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1win n LEU 115 Cb 0.54 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1win n LEU 115 CO 0.34 -0.04 0.30 -0.44 -1.33 0.00 0.00 177.39 176.22 1win s SER 116 N -6.39 -0.40 -0.05 -1.43 0.01 -1.23 -5.03 113.70 99.17 1win s SER 116 Ca -0.24 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 1win s SER 116 Cb 0.05 0.56 0.03 0.00 0.21 0.00 0.00 66.02 66.87 1win s SER 116 CO 0.42 -0.95 0.05 0.12 0.41 0.00 0.00 173.24 173.29 1win s PHE 117 N -3.79 0.19 0.40 2.43 2.19 -1.26 -2.48 117.98 115.66 1win s PHE 117 Ca 0.03 0.14 0.04 0.00 0.33 0.00 0.00 56.93 57.47 1win s PHE 117 Cb -0.00 -0.56 -0.05 0.00 -1.31 0.00 0.00 43.02 41.10 1win s PHE 117 CO -0.11 -0.24 0.06 0.99 1.83 0.00 0.00 175.22 177.75 1win s THR 118 N 2.13 1.18 -0.32 0.12 2.01 0.11 -4.61 115.64 116.26 1win s THR 118 Ca 0.05 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.08 1win s THR 118 Cb -0.12 -2.59 0.08 0.00 0.01 0.00 0.00 72.50 69.88 1win s THR 118 CO -0.04 0.00 0.00 -0.63 -0.69 0.00 0.00 174.62 173.27 1win s ILE 119 N -3.08 2.35 0.00 1.82 -1.09 -1.26 -0.90 121.20 119.03 1win s ILE 119 Ca 0.27 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.65 1win s ILE 119 Cb 0.06 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1win s ILE 119 CO 0.13 -0.39 0.91 1.17 -1.23 0.00 0.00 174.94 175.54 1win n LYS 120 N 4.35 0.00 -3.95 2.79 4.81 -1.26 -4.88 118.16 120.03 1win n LYS 120 Ca -0.03 0.55 -0.08 0.00 -0.87 0.00 0.00 58.31 57.87 1win n LYS 120 Cb 0.42 -1.41 -0.08 0.00 0.02 0.00 0.00 35.03 33.97 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 -2.27 0.26 -0.13 3.14 2.15 -1.26 -4.98 116.67 113.58 1win s ASP 121 Ca 0.00 -0.76 -0.04 0.00 0.43 0.00 0.00 52.55 52.17 1win s ASP 121 Cb 0.00 0.28 0.07 0.00 -0.30 0.00 0.00 42.92 42.97 1win s ASP 121 CO 0.00 -0.66 0.22 0.54 -0.17 0.00 0.00 175.17 175.10 1win s VAL 122 N -3.78 -0.34 0.15 1.11 0.11 -1.26 -1.49 120.40 114.90 1win s VAL 122 Ca 0.05 0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 1win s VAL 122 Cb 0.05 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1win s VAL 122 CO -0.10 0.05 -0.06 -0.72 -3.33 0.00 0.00 175.10 170.94 1win s TYR 123 N 2.36 1.21 -0.28 1.54 1.13 0.12 -4.96 117.35 118.47 1win s TYR 123 Ca 0.03 -0.87 -0.09 0.00 -1.41 0.00 0.00 57.07 54.73 1win s TYR 123 Cb -0.13 -0.66 -0.02 0.00 -1.10 0.00 0.00 41.96 40.05 1win s TYR 123 CO -0.08 -0.05 0.12 0.16 -2.51 0.00 0.00 175.55 173.19 1win s ASP 124 N -3.16 5.43 0.42 -0.18 1.47 -1.26 0.13 116.67 119.51 1win s ASP 124 Ca 0.19 -0.31 0.08 0.00 1.18 0.00 0.00 52.55 53.69 1win s ASP 124 Cb 0.04 -1.98 0.89 0.00 -0.34 0.00 0.00 42.92 41.53 1win s ASP 124 CO 0.01 -0.10 2.06 0.11 0.68 0.00 0.00 175.17 177.93 1win h LYS 125 N 8.30 0.50 -0.00 2.11 1.79 -1.88 -0.07 116.57 127.32 1win h LYS 125 Ca -0.35 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1win h LYS 125 Cb 1.16 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1win h LYS 125 CO 0.59 0.33 -0.25 1.33 -1.08 0.00 0.00 179.45 180.37 1win n VAL 126 N -4.48 0.00 -4.14 0.50 0.24 -1.26 -4.93 118.33 104.27 1win n VAL 126 Ca 0.03 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 61.94 1win n VAL 126 Cb 0.07 0.03 -0.07 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.20 -1.02 0.44 -1.34 8.00 -0.04 -4.81 116.55 116.57 1win n ASP 127 Ca 0.09 -1.09 -0.17 0.00 0.71 0.00 0.00 54.79 54.33 1win n ASP 127 Cb 0.32 -1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 39.95 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 -0.91 -1.05 -0.73 1.24 3.20 -1.91 0.55 116.97 117.35 1win h TYR 128 Ca -0.53 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 61.52 1win h TYR 128 Cb 1.21 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 1win h TYR 128 CO 0.58 -0.65 0.56 -0.07 -1.64 0.00 0.00 178.16 176.94 1win h LEU 129 N -1.21 0.00 0.17 2.82 4.07 -1.98 0.11 115.31 119.29 1win h LEU 129 Ca -0.12 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.53 1win h LEU 129 Cb 0.87 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.62 1win h LEU 129 CO 0.19 0.00 -1.52 -1.28 -1.08 0.00 0.00 178.44 174.75 1win h SER 130 N 0.00 0.56 -0.56 -0.43 0.87 -1.84 -3.31 113.55 108.84 1win h SER 130 Ca 0.35 -0.70 -0.32 0.00 -1.23 0.00 0.00 61.79 59.88 1win h SER 130 Cb 1.47 -0.18 -0.17 0.00 -0.44 0.00 0.00 62.40 63.08 1win h SER 130 CO -0.00 1.57 0.41 -0.24 -0.53 0.00 0.00 176.83 178.04 1win n SER 131 N -3.56 4.55 0.05 6.23 2.88 0.19 -4.34 113.62 119.62 1win n SER 131 Ca -0.17 -3.00 -0.06 0.00 -1.33 0.00 0.00 58.87 54.31 1win n SER 131 Cb 1.06 -0.81 0.11 0.00 -0.75 0.00 0.00 64.21 63.82 1win n SER 131 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1win h LEU 132 N 1.50 0.43 0.00 2.46 3.38 -1.47 -3.48 115.31 118.13 1win h LEU 132 Ca 0.35 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1win h LEU 132 Cb 1.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1win h LEU 132 CO 0.72 0.88 0.00 0.61 0.09 0.00 0.00 178.44 180.74 1win n GLY 133 N 0.17 2.93 2.85 0.83 0.00 -1.26 -5.08 105.19 105.63 1win n GLY 133 Ca -0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1win n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1win s LYS 134 N 0.00 1.17 -0.06 1.61 1.02 -1.26 -5.11 119.74 117.11 1win s LYS 134 Ca 0.00 -0.92 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 1win s LYS 134 Cb 0.00 -2.38 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 1win s LYS 134 CO 0.00 -0.71 0.14 0.95 -0.92 0.00 0.00 175.35 174.81 1win s THR 135 N 1.53 -0.02 -0.30 2.17 -4.23 -1.26 -5.11 115.64 108.43 1win s THR 135 Ca -0.00 0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.41 1win s THR 135 Cb -0.18 -0.22 0.17 0.00 1.34 0.00 0.00 72.50 73.61 1win s THR 135 CO -0.11 0.02 1.06 -1.58 -0.54 0.00 0.00 174.62 173.48 1win s GLN 136 N 0.45 0.24 -0.09 3.99 -0.44 -1.26 -5.13 119.66 117.42 1win s GLN 136 Ca -0.03 0.55 -0.38 0.00 -2.50 0.00 0.00 55.36 53.00 1win s GLN 136 Cb -0.05 0.27 -0.16 0.00 -1.64 0.00 0.00 33.01 31.44 1win s GLN 136 CO -0.02 -0.07 1.60 0.25 0.50 0.00 0.00 175.29 177.54 1win n THR 137 N 4.52 0.20 -3.90 -0.34 -2.24 -1.26 -4.94 114.28 106.32 1win n THR 137 Ca -0.11 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1win n THR 137 Cb 0.54 -1.16 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 1win n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1win s SER 138 N 2.27 -0.15 -0.63 3.42 1.04 -1.26 -5.12 113.70 113.27 1win s SER 138 Ca 0.91 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1win s SER 138 Cb -0.96 0.58 0.16 0.00 0.10 0.00 0.00 66.02 65.90 1win s SER 138 CO 0.55 -1.11 0.42 -0.83 0.98 0.00 0.00 173.24 173.25 1win s GLY 139 N -2.96 2.65 0.09 7.32 0.00 -1.26 -4.93 107.32 108.24 1win s GLY 139 Ca 0.16 -3.47 -0.16 0.00 0.00 0.00 0.00 44.72 41.25 1win s GLY 139 CO 0.04 1.07 1.41 -0.56 0.00 0.00 0.00 173.10 175.06 1win h PRO 140 N 6.31 0.65 -5.73 2.90 0.13 -2.00 -3.42 132.00 130.84 1win h PRO 140 Ca 0.01 -0.35 -0.59 0.00 -0.87 0.00 0.00 66.00 64.21 1win h PRO 140 Cb 0.86 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.92 1win h PRO 140 CO 0.72 0.95 0.24 0.45 -0.23 0.00 0.00 178.00 180.13 1win s SER 141 N -6.49 6.76 0.08 1.44 0.15 -1.26 -4.97 113.70 109.41 1win s SER 141 Ca -0.13 0.93 -0.28 0.00 0.70 0.00 0.00 55.95 57.18 1win s SER 141 Cb 0.08 -2.38 -0.17 0.00 -1.71 0.00 0.00 66.02 61.84 1win s SER 141 CO 0.82 -0.35 1.67 -1.28 1.20 0.00 0.00 173.24 175.30 1win h SER 142 N 7.52 -0.36 0.00 5.45 0.87 -2.04 -3.55 113.55 121.44 1win h SER 142 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1win h SER 142 Cb 1.13 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1win h SER 142 CO 0.80 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.46