#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1win n SER 2 N 0.00 -2.11 -4.83 1.61 3.41 -1.26 -4.90 113.62 105.55 1win n SER 2 Ca 0.00 -1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 57.17 1win n SER 2 Cb 0.00 -2.29 -0.05 0.00 -0.26 0.00 0.00 64.21 61.61 1win n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1win s SER 3 N -3.50 6.74 -1.03 4.04 0.01 -1.26 -4.94 113.70 113.77 1win s SER 3 Ca 0.63 1.63 -0.24 0.00 1.31 0.00 0.00 55.95 59.28 1win s SER 3 Cb -0.35 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.30 1win s SER 3 CO 0.97 -0.51 1.92 -0.83 0.41 0.00 0.00 173.24 175.20 1win s GLY 4 N -2.69 0.23 0.25 3.44 0.00 -1.26 -4.81 107.32 102.49 1win s GLY 4 Ca 0.60 -1.82 -0.12 0.00 0.00 0.00 0.00 44.72 43.39 1win s GLY 4 CO 0.24 3.48 1.58 1.48 0.00 0.00 0.00 173.10 179.87 1win h SER 5 N 10.54 -0.94 -3.54 1.64 4.64 -2.02 -3.27 113.55 120.60 1win h SER 5 Ca 0.16 0.27 -0.69 0.00 -0.47 0.00 0.00 61.79 61.06 1win h SER 5 Cb 0.98 0.58 -0.35 0.00 -0.31 0.00 0.00 62.40 63.30 1win h SER 5 CO 1.23 -0.29 -0.59 -0.44 -0.87 0.00 0.00 176.83 175.86 1win s SER 6 N -5.26 5.15 0.00 4.97 0.01 -1.26 -4.84 113.70 112.46 1win s SER 6 Ca -0.15 -1.98 0.00 0.00 1.31 0.00 0.00 55.95 55.14 1win s SER 6 Cb 0.23 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.68 1win s SER 6 CO 0.75 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1win n GLY 7 N 4.54 0.18 0.06 3.44 0.00 -1.23 -5.04 105.19 107.14 1win n GLY 7 Ca -0.02 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1win n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1win n GLN 8 N 0.00 0.24 -4.37 1.61 1.13 -1.26 -4.80 117.38 109.92 1win n GLN 8 Ca 0.00 0.10 -0.24 0.00 -1.94 0.00 0.00 57.00 54.92 1win n GLN 8 Cb 0.00 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 28.58 1win n GLN 8 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1win s ARG 9 N -3.12 1.97 0.51 -1.09 1.70 -1.26 -5.10 118.95 112.56 1win s ARG 9 Ca 0.08 -1.55 -0.21 0.00 -0.47 0.00 0.00 55.73 53.58 1win s ARG 9 Cb 0.14 -1.99 -0.08 0.00 -0.57 0.00 0.00 34.95 32.45 1win s ARG 9 CO 0.68 0.36 0.95 1.51 -1.08 0.00 0.00 175.30 177.71 1win n ILE 10 N -0.61 2.94 -4.13 4.99 3.06 -1.26 -4.99 119.36 119.36 1win n ILE 10 Ca -0.07 -0.50 -0.35 0.00 -2.50 0.00 0.00 62.75 59.33 1win n ILE 10 Cb 0.59 -1.12 -0.08 0.00 0.54 0.00 0.00 39.64 39.57 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 -0.99 5.78 0.00 9.51 0.15 -1.26 -4.99 113.70 121.90 1win s SER 11 Ca 0.69 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1win s SER 11 Cb -0.48 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1win s SER 11 CO 0.53 0.37 0.00 0.00 1.20 0.00 0.00 173.24 175.34 1win n LEU 12 N 1.90 1.95 -4.23 3.45 -0.00 -1.26 -4.81 117.00 114.00 1win n LEU 12 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.41 1win n LEU 12 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1win n LEU 12 CO 0.31 0.33 -0.41 -1.84 -0.00 0.00 0.00 177.39 175.78 1win n GLU 13 N -2.27 0.00 -1.65 1.47 0.28 -1.26 -3.35 120.64 113.86 1win n GLU 13 Ca 0.00 0.00 -0.47 0.00 -0.16 0.00 0.00 57.16 56.53 1win n GLU 13 Cb 0.46 -0.98 -0.05 0.00 1.43 0.00 0.00 31.44 32.30 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 -0.94 0.03 -3.67 3.84 5.41 -1.26 -4.48 119.36 118.29 1win n ILE 14 Ca 0.11 -0.01 -0.37 0.00 1.00 0.00 0.00 62.75 63.49 1win n ILE 14 Cb 0.38 -1.39 -0.11 0.00 -0.71 0.00 0.00 39.64 37.81 1win n ILE 14 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1win s MET 15 N 0.99 3.88 -0.63 0.38 -1.94 0.49 -4.93 119.30 117.54 1win s MET 15 Ca 0.81 -0.36 -0.24 0.00 -1.71 0.00 0.00 55.69 54.18 1win s MET 15 Cb -0.74 -3.52 0.05 0.00 2.01 0.00 0.00 34.83 32.62 1win s MET 15 CO 0.41 -0.13 1.03 0.99 -0.01 0.00 0.00 175.02 177.31 1win s THR 16 N 1.55 4.21 -0.17 2.05 2.01 -1.26 -1.66 115.64 122.36 1win s THR 16 Ca 0.07 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1win s THR 16 Cb -0.15 -4.68 -0.02 0.00 0.01 0.00 0.00 72.50 67.66 1win s THR 16 CO 0.08 -1.40 -0.04 -0.76 -0.69 0.00 0.00 174.62 171.81 1win s LEU 17 N 4.41 3.13 -0.59 4.42 1.43 -1.20 -5.00 118.68 125.28 1win s LEU 17 Ca 0.29 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1win s LEU 17 Cb -0.13 -1.77 0.15 0.00 0.03 0.00 0.00 46.19 44.47 1win s LEU 17 CO 0.16 0.11 0.52 -1.10 0.23 0.00 0.00 176.35 176.26 1win s GLN 18 N 0.71 2.98 -1.19 1.70 -0.21 -1.26 -3.20 119.66 119.19 1win s GLN 18 Ca -0.02 -1.90 -0.23 0.00 0.02 0.00 0.00 55.36 53.23 1win s GLN 18 Cb -0.14 -4.22 -0.09 0.00 1.00 0.00 0.00 33.01 29.55 1win s GLN 18 CO 0.02 -1.29 1.93 -0.35 -2.12 0.00 0.00 175.29 173.49 1win n PRO 19 N 4.85 1.60 -3.62 2.91 -0.04 -1.25 -4.93 135.00 134.52 1win n PRO 19 Ca -0.06 -2.47 -0.37 0.00 -0.04 0.00 0.00 63.50 60.55 1win n PRO 19 Cb 0.41 -3.73 -0.06 0.00 -0.04 0.00 0.00 33.50 30.08 1win n PRO 19 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1win s ARG 20 N 6.46 3.75 -0.09 0.54 3.52 -0.82 -4.17 118.95 128.14 1win s ARG 20 Ca 0.68 0.20 0.01 0.00 -0.13 0.00 0.00 55.73 56.49 1win s ARG 20 Cb -0.01 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 1win s ARG 20 CO 0.14 0.69 -0.09 0.00 -0.81 0.00 0.00 175.30 175.22 1win s GLU 22 N 1.29 1.50 -0.82 0.00 -1.05 -1.26 -0.98 118.70 117.38 1win s GLU 22 Ca -0.03 -0.89 -0.00 0.00 -0.15 0.00 0.00 54.97 53.89 1win s GLU 22 Cb -0.14 -1.57 0.00 0.00 -0.44 0.00 0.00 34.13 31.98 1win s GLU 22 CO -0.03 0.41 0.68 -0.25 0.95 0.00 0.00 175.26 177.02 1win n ASP 23 N 2.05 -2.09 -3.96 0.83 8.00 -1.21 -5.00 116.55 115.17 1win n ASP 23 Ca -0.17 -0.42 -0.30 0.00 0.71 0.00 0.00 54.79 54.61 1win n ASP 23 Cb 0.53 -3.64 -0.13 0.00 -0.02 0.00 0.00 41.12 37.86 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 -3.24 2.75 0.05 2.53 -7.23 -1.22 -4.90 120.40 109.14 1win s VAL 24 Ca 0.01 -3.42 -0.35 0.00 -1.81 0.00 0.00 61.98 56.41 1win s VAL 24 Cb -0.00 -2.88 -0.14 0.00 0.56 0.00 0.00 36.38 33.92 1win s VAL 24 CO 0.50 -0.84 1.64 -0.62 -0.31 0.00 0.00 175.10 175.47 1win n GLU 25 N 2.98 1.95 -0.65 4.82 1.02 -1.26 -2.93 120.64 126.57 1win n GLU 25 Ca 0.07 0.71 -0.15 0.00 -0.02 0.00 0.00 57.16 57.77 1win n GLU 25 Cb 0.33 -2.47 0.12 0.00 -0.02 0.00 0.00 31.44 29.40 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 3.87 0.00 -0.19 2.62 -2.24 -0.98 -4.66 114.28 112.71 1win n THR 26 Ca 0.19 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1win n THR 26 Cb 0.26 -1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.21 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 -2.26 -0.18 -0.76 6.98 0.00 -0.71 0.05 119.26 122.37 1win h ALA 27 Ca -0.22 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1win h ALA 27 Cb 0.64 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1win h ALA 27 CO 0.14 -0.75 0.30 1.05 0.00 0.00 0.00 179.25 179.99 1win h GLU 28 N -0.21 1.15 0.00 0.00 4.11 -1.90 -3.47 114.58 114.26 1win h GLU 28 Ca 0.20 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1win h GLU 28 Cb 0.56 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1win h GLU 28 CO -0.66 0.94 0.00 0.41 0.07 0.00 0.00 179.01 179.77 1win n GLY 29 N -0.86 0.78 2.97 1.06 0.00 0.00 -5.12 105.19 104.03 1win n GLY 29 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.54 2.04 -0.12 1.61 1.01 -1.26 -4.72 120.40 118.42 1win s VAL 30 Ca 0.00 -2.17 -0.31 0.00 0.00 0.00 0.00 61.98 59.50 1win s VAL 30 Cb 0.00 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1win s VAL 30 CO 0.00 -0.60 2.05 0.00 0.00 0.00 0.00 175.10 176.55 1win n ALA 31 N 4.36 1.36 -2.56 5.51 0.00 -1.26 -2.31 120.51 125.61 1win n ALA 31 Ca 0.03 0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 1win n ALA 31 Cb 0.42 -2.68 -0.09 0.00 0.00 0.00 0.00 19.45 17.11 1win n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1win s LEU 32 N 5.82 2.93 -0.27 0.00 2.01 -1.15 -3.80 118.68 124.22 1win s LEU 32 Ca 0.96 -0.87 0.03 0.00 0.01 0.00 0.00 54.13 54.26 1win s LEU 32 Cb -0.54 -1.41 0.07 0.00 0.01 0.00 0.00 46.19 44.32 1win s LEU 32 CO 0.44 -0.04 -0.08 -0.89 1.01 0.00 0.00 176.35 176.79 1win s THR 33 N -2.44 2.08 -0.28 5.49 2.01 0.13 -3.31 115.64 119.33 1win s THR 33 Ca 0.32 -1.68 -0.04 0.00 0.31 0.00 0.00 61.69 60.60 1win s THR 33 Cb -0.04 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.23 1win s THR 33 CO 0.18 -0.13 0.01 -0.69 -0.69 0.00 0.00 174.62 173.30 1win s VAL 34 N 1.12 3.34 0.06 3.82 1.01 -0.15 -0.07 120.40 129.52 1win s VAL 34 Ca -0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.62 1win s VAL 34 Cb -0.20 -2.77 -0.18 0.00 0.00 0.00 0.00 36.38 33.24 1win s VAL 34 CO -0.06 0.06 1.57 0.74 0.00 0.00 0.00 175.10 177.42 1win h THR 35 N 6.12 0.44 -3.22 3.92 2.02 -1.40 0.71 112.91 121.50 1win h THR 35 Ca -0.29 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1win h THR 35 Cb 1.10 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1win h THR 35 CO 0.58 0.01 -0.81 0.61 0.37 0.00 0.00 175.52 176.28 1win n GLY 36 N -1.27 -4.14 3.10 2.16 0.00 -1.26 -1.94 105.19 101.84 1win n GLY 36 Ca -0.12 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.32 -0.36 -0.08 1.61 1.01 0.81 -3.89 120.40 115.19 1win s VAL 37 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1win s VAL 37 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1win s VAL 37 CO 0.00 0.09 0.20 0.00 0.00 0.00 0.00 175.10 175.39 1win s ALA 38 N 2.15 -0.49 -0.04 5.51 0.00 -1.19 -0.21 121.76 127.48 1win s ALA 38 Ca -0.02 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 1win s ALA 38 Cb -0.11 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1win s ALA 38 CO -0.10 -0.10 0.41 -1.14 0.00 0.00 0.00 175.76 174.82 1win s GLN 39 N 0.24 4.03 0.14 0.00 0.74 -1.11 -3.21 119.66 120.49 1win s GLN 39 Ca -0.01 0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.80 1win s GLN 39 Cb -0.03 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 1win s GLN 39 CO -0.01 0.54 -0.06 0.54 -0.55 0.00 0.00 175.29 175.75 1win s VAL 40 N -0.58 0.87 0.01 1.34 0.11 -0.66 -1.34 120.40 120.15 1win s VAL 40 Ca 0.23 -1.99 -0.17 0.00 -2.93 0.00 0.00 61.98 57.12 1win s VAL 40 Cb -0.16 -1.87 0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1win s VAL 40 CO 0.12 -0.72 0.36 -1.59 -3.33 0.00 0.00 175.10 169.94 1win s LYS 41 N -3.82 0.80 -0.17 1.54 -2.85 -1.08 0.18 119.74 114.34 1win s LYS 41 Ca 0.17 -0.28 -0.29 0.00 -1.00 0.00 0.00 55.97 54.57 1win s LYS 41 Cb 0.05 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1win s LYS 41 CO -0.00 -0.25 1.10 0.42 0.10 0.00 0.00 175.35 176.72 1win s ILE 42 N -1.90 4.56 0.50 3.79 -1.09 -1.21 -2.96 121.20 122.89 1win s ILE 42 Ca -0.09 1.87 -0.21 0.00 -2.23 0.00 0.00 60.65 59.98 1win s ILE 42 Cb -0.03 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1win s ILE 42 CO 0.01 -0.11 0.89 0.23 -1.23 0.00 0.00 174.94 174.74 1win n MET 43 N 5.96 1.03 -2.43 2.79 2.81 -1.21 -4.92 117.12 121.15 1win n MET 43 Ca 0.12 0.38 -0.29 0.00 -1.81 0.00 0.00 57.70 56.10 1win n MET 43 Cb 0.46 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 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 -1.44 4.85 -0.40 2.03 2.01 -1.26 -5.05 115.64 116.38 1win s THR 44 Ca 0.68 0.42 -0.07 0.00 0.31 0.00 0.00 61.69 63.03 1win s THR 44 Cb -0.50 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.23 1win s THR 44 CO 0.53 -0.92 0.21 -1.83 -0.69 0.00 0.00 174.62 171.93 1win s GLU 45 N -4.81 2.48 -0.07 4.92 -1.05 -1.26 -4.93 118.70 113.98 1win s GLU 45 Ca 0.50 -1.48 -0.18 0.00 -0.15 0.00 0.00 54.97 53.66 1win s GLU 45 Cb -0.10 -3.66 -0.30 0.00 -0.44 0.00 0.00 34.13 29.63 1win s GLU 45 CO 0.47 -0.92 0.74 -0.22 0.95 0.00 0.00 175.26 176.28 1win h LYS 46 N 8.29 0.31 0.00 -4.83 3.64 -2.01 -3.46 116.57 118.50 1win h LYS 46 Ca -0.21 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1win h LYS 46 Cb 1.07 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1win h LYS 46 CO 0.71 1.25 0.00 -1.91 -2.27 0.00 0.00 179.45 177.23 1win n GLU 47 N -3.96 0.00 -3.70 1.90 2.13 -1.26 -5.07 120.64 110.68 1win n GLU 47 Ca -0.20 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.35 1win n GLU 47 Cb 0.90 -0.15 -0.16 0.00 0.27 0.00 0.00 31.44 32.30 1win n GLU 47 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1win s LEU 48 N -6.65 1.03 -0.22 4.31 1.43 -1.26 -4.99 118.68 112.34 1win s LEU 48 Ca 0.00 -0.84 0.11 0.00 -1.03 0.00 0.00 54.13 52.37 1win s LEU 48 Cb 0.00 -0.53 0.43 0.00 0.03 0.00 0.00 46.19 46.13 1win s LEU 48 CO 0.00 -0.33 1.21 -0.11 0.23 0.00 0.00 176.35 177.35 1win n LEU 49 N 5.10 3.05 0.28 1.79 -0.00 -1.26 -4.74 117.00 121.22 1win n LEU 49 Ca -0.08 -3.96 0.16 0.00 -0.00 0.00 0.00 56.01 52.14 1win n LEU 49 Cb 0.47 -0.44 0.83 0.00 -0.00 0.00 0.00 43.42 44.28 1win n LEU 49 CO 0.12 1.50 1.03 0.00 -0.00 0.00 0.00 177.39 180.03 1win h ALA 50 N 1.28 1.12 -0.83 1.96 0.00 -1.96 0.12 119.26 120.94 1win h ALA 50 Ca 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1win h ALA 50 Cb 1.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1win h ALA 50 CO 0.17 0.07 0.52 -0.24 0.00 0.00 0.00 179.25 179.77 1win h VAL 51 N 0.00 1.08 0.00 0.00 3.04 -1.90 -1.24 116.25 117.23 1win h VAL 51 Ca -0.00 -0.34 -0.37 0.00 -1.01 0.00 0.00 66.70 64.98 1win h VAL 51 Cb 0.32 0.02 -0.07 0.00 -2.01 0.00 0.00 31.29 29.55 1win h VAL 51 CO 0.01 0.18 -2.41 0.00 -1.01 0.00 0.00 177.57 174.34 1win n ALA 52 N -2.34 1.47 0.29 3.17 0.00 -1.05 -3.90 120.51 118.15 1win n ALA 52 Ca 0.11 -1.11 -0.17 0.00 0.00 0.00 0.00 53.44 52.27 1win n ALA 52 Cb 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.85 0.17 -0.79 0.00 4.57 -1.43 0.98 114.58 117.24 1win h GLU 54 Ca -0.05 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1win h GLU 54 Cb 0.72 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 1win h GLU 54 CO 0.01 0.27 0.52 0.37 -1.18 0.00 0.00 179.01 179.01 1win h GLN 55 N 0.17 1.05 0.06 1.92 5.75 -1.55 -2.86 115.11 119.65 1win h GLN 55 Ca 0.04 -0.07 -0.28 0.00 -0.15 0.00 0.00 58.65 58.19 1win h GLN 55 Cb 0.26 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1win h GLN 55 CO 0.01 0.70 -1.46 0.74 -2.65 0.00 0.00 178.83 176.17 1win h PHE 56 N 1.08 0.25 -1.02 3.99 0.04 -0.89 -3.34 116.94 117.05 1win h PHE 56 Ca 0.29 -0.18 0.30 0.00 2.80 0.00 0.00 57.97 61.18 1win h PHE 56 Cb -0.12 -0.01 -0.14 0.00 2.20 0.00 0.00 35.95 37.88 1win h PHE 56 CO -0.02 1.22 0.60 -0.07 -0.60 0.00 0.00 178.31 179.44 1win h LEU 57 N 0.04 0.54 -1.11 1.54 3.38 -0.59 0.50 115.31 119.62 1win h LEU 57 Ca -0.20 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1win h LEU 57 Cb 1.96 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 1win h LEU 57 CO 0.13 -0.06 0.24 1.23 0.09 0.00 0.00 178.44 180.08 1win h GLY 58 N 0.39 0.93 -2.14 0.83 0.00 -1.66 -3.44 103.07 97.99 1win h GLY 58 Ca 0.71 -0.47 -0.48 0.00 0.00 0.00 0.00 47.33 47.08 1win h GLY 58 CO -0.54 0.45 -0.32 -1.59 0.00 0.00 0.00 176.54 174.54 1win s LYS 59 N -5.40 2.58 0.50 4.80 -2.85 0.18 -5.13 119.74 114.41 1win s LYS 59 Ca -0.10 -1.50 -0.04 0.00 -1.00 0.00 0.00 55.97 53.33 1win s LYS 59 Cb 0.16 -2.48 -0.02 0.00 -2.06 0.00 0.00 37.83 33.44 1win s LYS 59 CO 0.79 -0.29 0.78 -0.80 0.10 0.00 0.00 175.35 175.93 1win s ASN 60 N -4.24 5.97 0.28 0.03 0.01 -1.26 -4.88 114.94 110.85 1win s ASN 60 Ca 0.50 0.70 -0.00 0.00 -0.71 0.00 0.00 52.86 53.35 1win s ASN 60 Cb -0.05 -1.92 0.65 0.00 0.41 0.00 0.00 41.25 40.34 1win s ASN 60 CO 0.30 -0.74 1.63 -0.37 -1.51 0.00 0.00 177.10 176.41 1win h VAL 61 N 0.17 0.27 -0.21 1.60 -1.51 -1.89 0.67 116.25 115.36 1win h VAL 61 Ca -0.46 -0.05 0.05 0.00 -1.23 0.00 0.00 66.70 65.01 1win h VAL 61 Cb 1.23 0.11 -0.06 0.00 -2.13 0.00 0.00 31.29 30.44 1win h VAL 61 CO 0.60 0.03 -0.18 1.56 -1.23 0.00 0.00 177.57 178.35 1win h GLN 62 N 0.15 -0.18 -0.33 5.19 4.20 -1.96 -2.82 115.11 119.37 1win h GLN 62 Ca 0.53 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.29 1win h GLN 62 Cb 1.04 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 1win h GLN 62 CO -0.70 -0.12 -0.45 -0.44 -0.67 0.00 0.00 178.83 176.45 1win h ASP 63 N -0.19 -1.51 -0.16 1.46 5.19 -1.23 -2.66 116.42 117.32 1win h ASP 63 Ca 0.12 0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.75 1win h ASP 63 Cb 0.37 0.62 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1win h ASP 63 CO -0.32 -0.33 -0.10 -0.38 -3.12 0.00 0.00 179.24 175.00 1win n ILE 64 N -4.86 -0.11 -0.27 0.35 -0.00 -1.07 0.43 119.36 113.83 1win n ILE 64 Ca -0.03 1.32 0.06 0.00 -0.00 0.00 0.00 62.75 64.10 1win n ILE 64 Cb 0.28 -1.72 0.12 0.00 -0.00 0.00 0.00 39.64 38.32 1win n ILE 64 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1win n LYS 65 N -3.24 -0.07 0.15 0.38 5.02 -1.01 0.07 118.16 119.46 1win n LYS 65 Ca 0.00 1.16 -0.13 0.00 -2.02 0.00 0.00 58.31 57.33 1win n LYS 65 Cb 0.04 -1.75 -0.08 0.00 -0.02 0.00 0.00 35.03 33.23 1win n LYS 65 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1win h ASN 66 N 0.00 -0.34 -0.52 4.39 2.35 0.11 -2.64 115.58 118.93 1win h ASN 66 Ca 0.37 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.99 1win h ASN 66 Cb 0.61 0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 1win h ASN 66 CO -0.76 0.06 -0.50 0.58 -1.65 0.00 0.00 177.43 175.16 1win h VAL 67 N -0.82 0.00 -0.44 2.81 2.07 0.29 0.29 116.25 120.45 1win h VAL 67 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1win h VAL 67 Cb 0.52 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.20 1win h VAL 67 CO 0.07 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 178.11 1win h VAL 68 N -0.25 0.52 -0.99 2.57 2.07 -1.04 -0.34 116.25 118.79 1win h VAL 68 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1win h VAL 68 Cb 0.48 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1win h VAL 68 CO -0.62 0.00 0.63 0.25 0.02 0.00 0.00 177.57 177.85 1win h LEU 69 N -0.03 0.97 -1.26 2.57 5.85 -0.78 -0.96 115.31 121.68 1win h LEU 69 Ca 0.21 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1win h LEU 69 Cb 0.35 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1win h LEU 69 CO -0.46 0.58 0.51 1.56 -0.34 0.00 0.00 178.44 180.28 1win h GLN 70 N 1.08 0.95 0.59 1.25 1.08 0.12 0.11 115.11 120.30 1win h GLN 70 Ca 0.45 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.57 1win h GLN 70 Cb 0.30 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1win h GLN 70 CO -0.21 0.63 -0.36 1.15 -0.95 0.00 0.00 178.83 179.09 1win h THR 71 N 0.98 0.27 -0.13 -0.54 2.02 -0.57 -0.44 112.91 114.50 1win h THR 71 Ca 0.30 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 1win h THR 71 Cb -0.02 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1win h THR 71 CO -0.08 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.77 1win h LEU 72 N -0.89 0.21 -0.00 2.58 3.38 -1.39 -3.09 115.31 116.12 1win h LEU 72 Ca -0.07 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1win h LEU 72 Cb 0.72 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1win h LEU 72 CO 0.07 0.41 -0.31 -0.08 0.09 0.00 0.00 178.44 178.62 1win h GLU 73 N 0.00 -0.37 -0.97 1.13 4.22 -0.74 -1.79 114.58 116.06 1win h GLU 73 Ca 0.04 0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.60 1win h GLU 73 Cb 0.29 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.50 1win h GLU 73 CO 0.00 -0.25 -0.56 0.78 -2.18 0.00 0.00 179.01 176.80 1win h GLY 74 N -0.39 -0.73 -0.17 1.92 0.00 -1.13 0.31 103.07 102.88 1win h GLY 74 Ca 0.01 0.76 0.17 0.00 0.00 0.00 0.00 47.33 48.27 1win h GLY 74 CO -0.21 0.01 0.17 0.45 0.00 0.00 0.00 176.54 176.96 1win h HIS 75 N -0.02 0.25 -0.97 5.60 3.86 -1.40 0.26 115.15 122.73 1win h HIS 75 Ca 0.18 0.05 0.19 0.00 -1.16 0.00 0.00 60.37 59.63 1win h HIS 75 Cb 0.44 0.01 -0.09 0.00 1.06 0.00 0.00 27.41 28.83 1win h HIS 75 CO -0.99 -0.12 0.61 1.25 0.86 0.00 0.00 177.93 179.54 1win h LEU 76 N 0.24 0.65 -0.67 2.43 5.85 0.49 0.17 115.31 124.46 1win h LEU 76 Ca 0.44 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 59.11 1win h LEU 76 Cb 0.78 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1win h LEU 76 CO -0.55 0.24 -0.30 0.03 -0.34 0.00 0.00 178.44 177.52 1win h ARG 77 N 0.64 0.70 0.27 1.25 3.08 -0.04 -1.42 114.38 118.86 1win h ARG 77 Ca 0.53 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1win h ARG 77 Cb 0.99 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1win h ARG 77 CO -0.29 0.91 -0.13 1.03 -1.07 0.00 0.00 179.97 180.42 1win h SER 78 N 0.59 -0.31 -0.42 7.04 0.87 -0.35 -1.89 113.55 119.08 1win h SER 78 Ca 0.07 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1win h SER 78 Cb 0.81 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 1win h SER 78 CO 0.07 0.13 0.16 0.40 -0.53 0.00 0.00 176.83 177.06 1win h ILE 79 N -0.83 0.90 -0.57 2.23 1.08 -1.06 -2.33 117.51 116.92 1win h ILE 79 Ca -0.04 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1win h ILE 79 Cb 0.51 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 1win h ILE 79 CO 0.06 0.06 0.34 0.25 -0.69 0.00 0.00 178.15 178.17 1win h LEU 80 N 0.34 0.54 -0.31 1.44 6.46 -1.32 -2.35 115.31 120.11 1win h LEU 80 Ca 0.19 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 1win h LEU 80 Cb 0.15 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 39.90 1win h LEU 80 CO -0.18 0.37 -0.37 1.23 -0.62 0.00 0.00 178.44 178.88 1win h GLY 81 N 0.66 -0.44 2.00 3.75 0.00 -0.78 0.15 103.07 108.41 1win h GLY 81 Ca 0.24 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 48.01 1win h GLY 81 CO -0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 176.54 176.15 1win h THR 82 N -0.34 0.52 -3.45 4.70 1.03 -1.34 0.20 112.91 114.23 1win h THR 82 Ca 0.13 -0.34 -0.60 0.00 -0.01 0.00 0.00 66.41 65.59 1win h THR 82 Cb 0.57 1.23 -0.10 0.00 -1.07 0.00 0.00 68.15 68.77 1win h THR 82 CO -0.49 0.07 -0.02 -0.76 -0.01 0.00 0.00 175.52 174.31 1win s LEU 83 N -7.33 4.15 0.69 0.00 1.43 0.53 -4.77 118.68 113.38 1win s LEU 83 Ca -0.04 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.61 1win s LEU 83 Cb 0.14 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1win s LEU 83 CO 0.56 -0.19 1.17 0.42 0.23 0.00 0.00 176.35 178.55 1win s THR 84 N 1.64 2.67 0.24 5.49 -4.23 -1.26 -3.91 115.64 116.29 1win s THR 84 Ca 0.25 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.05 1win s THR 84 Cb -0.15 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 70.99 1win s THR 84 CO 0.10 -0.17 1.75 1.62 -0.54 0.00 0.00 174.62 177.38 1win h VAL 85 N -0.03 0.73 0.67 2.29 3.04 -1.90 -2.38 116.25 118.68 1win h VAL 85 Ca -0.48 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 1win h VAL 85 Cb 1.28 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 1win h VAL 85 CO 0.52 0.10 -0.50 -0.33 -1.01 0.00 0.00 177.57 176.35 1win h GLU 86 N 0.54 -1.08 -0.64 4.17 3.07 -2.00 -2.91 114.58 115.72 1win h GLU 86 Ca 0.41 0.07 0.10 0.00 -0.50 0.00 0.00 59.36 59.44 1win h GLU 86 Cb 0.56 0.25 -0.11 0.00 -0.84 0.00 0.00 28.75 28.60 1win h GLU 86 CO -0.35 -0.72 -0.42 1.96 -1.40 0.00 0.00 179.01 178.07 1win h GLN 87 N -1.13 -0.18 -0.92 2.33 4.20 -1.83 -0.62 115.11 116.98 1win h GLN 87 Ca -0.09 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.74 1win h GLN 87 Cb 0.93 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 28.62 1win h GLN 87 CO 0.03 -0.12 -0.52 0.82 -0.67 0.00 0.00 178.83 178.38 1win h ILE 88 N -0.18 0.01 0.62 2.54 2.04 -1.31 0.20 117.51 121.43 1win h ILE 88 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 1win h ILE 88 Cb 0.56 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1win h ILE 88 CO -0.73 0.00 -0.40 1.88 0.00 0.00 0.00 178.15 178.90 1win h TYR 89 N -0.05 -1.06 -0.43 1.37 0.05 -1.03 -0.71 116.97 115.10 1win h TYR 89 Ca 0.21 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.03 1win h TYR 89 Cb 0.49 0.38 -0.07 0.00 1.01 0.00 0.00 36.73 38.54 1win h TYR 89 CO -0.93 -0.60 -0.46 1.96 -1.05 0.00 0.00 178.16 177.08 1win h GLN 90 N -0.97 -0.25 -3.09 4.88 1.08 -0.03 -3.33 115.11 113.40 1win h GLN 90 Ca -0.08 0.02 -0.61 0.00 -1.45 0.00 0.00 58.65 56.53 1win h GLN 90 Cb 0.79 0.06 -0.40 0.00 -0.05 0.00 0.00 27.48 27.88 1win h GLN 90 CO 0.06 -0.17 -0.72 -0.51 -0.95 0.00 0.00 178.83 176.54 1win s ASP 91 N -4.71 3.77 -0.01 1.46 1.01 0.60 -4.93 116.67 113.86 1win s ASP 91 Ca -0.11 -2.63 0.12 0.00 0.71 0.00 0.00 52.55 50.64 1win s ASP 91 Cb 0.07 -1.12 -0.22 0.00 1.01 0.00 0.00 42.92 42.67 1win s ASP 91 CO 0.50 -0.27 0.77 0.08 0.21 0.00 0.00 175.17 176.46 1win h ARG 92 N 6.77 0.00 -0.68 8.23 -0.00 -1.24 -3.32 114.38 124.14 1win h ARG 92 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 59.98 60.06 1win h ARG 92 Cb 0.93 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 30.82 1win h ARG 92 CO 0.51 0.55 0.28 -0.44 -0.00 0.00 0.00 179.97 180.87 1win h ASP 93 N 0.00 0.30 -0.32 0.08 5.19 -1.92 -1.75 116.42 118.00 1win h ASP 93 Ca -0.24 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.15 1win h ASP 93 Cb 1.95 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.50 1win h ASP 93 CO 0.08 0.16 -0.23 -0.61 -3.12 0.00 0.00 179.24 175.52 1win h GLN 94 N 0.47 0.73 -0.96 3.56 5.75 -1.97 -3.08 115.11 119.60 1win h GLN 94 Ca 0.35 -0.35 0.23 0.00 -0.15 0.00 0.00 58.65 58.73 1win h GLN 94 Cb 0.45 -0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.87 1win h GLN 94 CO -0.33 0.97 0.53 0.35 -2.65 0.00 0.00 178.83 177.69 1win h PHE 95 N 0.50 0.89 -0.35 3.99 3.57 -1.43 0.74 116.94 124.86 1win h PHE 95 Ca 0.06 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1win h PHE 95 Cb 0.79 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1win h PHE 95 CO 0.07 0.03 0.11 0.00 -2.23 0.00 0.00 178.31 176.28 1win h ALA 96 N 1.72 0.45 -0.77 2.41 0.00 -1.37 -2.92 119.26 118.79 1win h ALA 96 Ca 0.61 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.47 1win h ALA 96 Cb 1.16 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1win h ALA 96 CO -0.49 0.10 0.39 -0.22 0.00 0.00 0.00 179.25 179.03 1win h LYS 97 N 0.41 0.61 -0.75 0.00 3.64 -0.86 -0.22 116.57 119.40 1win h LYS 97 Ca 0.11 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1win h LYS 97 Cb 0.26 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1win h LYS 97 CO -0.00 0.41 0.50 -0.07 -2.27 0.00 0.00 179.45 178.01 1win h LEU 98 N 0.63 0.78 0.58 5.20 4.07 -1.22 0.17 115.31 125.52 1win h LEU 98 Ca 0.39 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.32 1win h LEU 98 Cb 0.46 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.03 1win h LEU 98 CO -0.30 0.53 -0.28 0.58 -1.08 0.00 0.00 178.44 177.89 1win h VAL 99 N 0.90 0.00 -0.10 1.22 2.07 -0.93 -0.90 116.25 118.51 1win h VAL 99 Ca 0.30 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1win h VAL 99 Cb 0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1win h VAL 99 CO -0.09 0.00 0.09 0.08 0.02 0.00 0.00 177.57 177.67 1win h ARG 100 N -1.02 0.00 -0.15 1.57 0.11 -1.29 0.15 114.38 113.75 1win h ARG 100 Ca -0.08 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.78 1win h ARG 100 Cb 0.59 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.68 1win h ARG 100 CO 0.13 0.00 -0.78 0.93 0.10 0.00 0.00 179.97 180.35 1win h GLU 101 N 0.00 0.78 0.00 0.08 5.08 -0.57 0.50 114.58 120.45 1win h GLU 101 Ca 0.05 -0.64 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1win h GLU 101 Cb 0.23 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1win h GLU 101 CO -0.00 1.25 -0.39 -0.24 -1.00 0.00 0.00 179.01 178.62 1win h VAL 102 N 0.54 0.57 0.11 3.13 3.04 -0.03 -3.33 116.25 120.29 1win h VAL 102 Ca -0.05 -1.82 -0.36 0.00 -1.01 0.00 0.00 66.70 63.46 1win h VAL 102 Cb 1.41 2.26 -0.02 0.00 -2.01 0.00 0.00 31.29 32.93 1win h VAL 102 CO 0.16 0.33 -1.99 0.00 -1.01 0.00 0.00 177.57 175.05 1win n ALA 103 N -2.19 0.95 -0.35 3.17 0.00 0.41 -3.91 120.51 118.58 1win n ALA 103 Ca 0.02 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 1win n ALA 103 Cb 0.67 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.97 -0.53 0.36 0.00 0.00 0.17 0.17 120.51 117.71 1win n ALA 104 Ca -0.31 0.71 0.13 0.00 0.00 0.00 0.00 53.44 53.97 1win n ALA 104 Cb 1.05 -0.08 0.56 0.00 0.00 0.00 0.00 19.45 20.97 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 0.00 0.00 0.13 -1.77 -3.21 132.00 127.15 1win h PRO 105 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1win h PRO 105 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1win h PRO 105 CO -0.78 0.00 -0.01 0.22 -0.23 0.00 0.00 178.00 177.20 1win h ASP 106 N 0.00 0.00 -1.11 1.44 1.82 0.16 -3.34 116.42 115.39 1win h ASP 106 Ca 0.00 0.00 0.34 0.00 -0.39 0.00 0.00 57.03 56.98 1win h ASP 106 Cb 0.39 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.27 1win h ASP 106 CO 0.00 0.48 0.68 -0.37 -1.61 0.00 0.00 179.24 178.42 1win h VAL 107 N -0.95 0.29 -1.14 2.25 -1.51 -0.37 0.36 116.25 115.19 1win h VAL 107 Ca 0.00 -0.09 0.32 0.00 -1.23 0.00 0.00 66.70 65.70 1win h VAL 107 Cb 0.01 0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.10 1win h VAL 107 CO 0.00 0.05 0.77 1.23 -1.23 0.00 0.00 177.57 178.39 1win h GLY 108 N 0.27 0.79 0.53 5.19 0.00 -1.58 0.21 103.07 108.48 1win h GLY 108 Ca 0.73 -0.12 0.09 0.00 0.00 0.00 0.00 47.33 48.03 1win h GLY 108 CO -0.48 -0.12 0.38 0.07 0.00 0.00 0.00 176.54 176.39 1win h ARG 109 N 0.21 0.64 0.04 4.80 0.11 -0.44 -2.29 114.38 117.45 1win h ARG 109 Ca 0.62 -0.04 -0.26 0.00 0.10 0.00 0.00 59.98 60.40 1win h ARG 109 Cb 1.95 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 32.85 1win h ARG 109 CO -0.21 0.43 -1.35 0.00 0.10 0.00 0.00 179.97 178.94 1win h MET 110 N 0.66 0.09 0.00 0.08 -0.00 -0.82 -3.47 114.93 111.47 1win h MET 110 Ca 0.35 -0.15 0.00 0.00 -0.00 0.00 0.00 59.70 59.90 1win h MET 110 Cb 0.32 0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 1win h MET 110 CO -0.24 0.92 0.00 0.41 -0.00 0.00 0.00 176.91 178.00 1win n GLY 111 N 1.50 1.88 3.57 -3.00 0.00 -0.17 -3.23 105.19 105.75 1win n GLY 111 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 4.17 -0.14 -0.61 -1.09 -1.00 -3.29 121.20 117.23 1win s ILE 112 Ca 0.00 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.11 1win s ILE 112 Cb 0.00 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1win s ILE 112 CO 0.00 0.51 -0.00 -0.70 -1.23 0.00 0.00 174.94 173.52 1win s GLU 113 N 0.07 3.58 -0.02 2.79 2.12 -1.16 -3.48 118.70 122.61 1win s GLU 113 Ca 0.01 -0.45 -0.17 0.00 0.36 0.00 0.00 54.97 54.73 1win s GLU 113 Cb -0.13 -2.96 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 1win s GLU 113 CO 0.02 0.36 0.46 0.96 -0.54 0.00 0.00 175.26 176.52 1win s ILE 114 N 0.06 5.01 -0.16 -3.70 -5.25 -1.26 -2.64 121.20 113.26 1win s ILE 114 Ca 0.02 0.95 -0.15 0.00 -0.99 0.00 0.00 60.65 60.48 1win s ILE 114 Cb -0.13 -3.78 -0.11 0.00 2.95 0.00 0.00 42.46 41.39 1win s ILE 114 CO 0.02 0.50 0.11 -0.07 -1.79 0.00 0.00 174.94 173.71 1win h LEU 115 N 5.23 0.00 -8.05 0.37 -0.00 -1.57 -3.49 115.31 107.80 1win h LEU 115 Ca -0.48 -0.31 0.02 0.00 -0.00 0.00 0.00 57.88 57.11 1win h LEU 115 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.82 1win h LEU 115 CO 0.66 1.01 0.18 -0.44 -0.00 0.00 0.00 178.44 179.85 1win s SER 116 N -6.16 -0.13 -0.12 -0.43 0.01 -1.21 -5.00 113.70 100.67 1win s SER 116 Ca -0.18 -0.82 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 1win s SER 116 Cb 0.02 0.74 0.05 0.00 0.21 0.00 0.00 66.02 67.04 1win s SER 116 CO 0.38 -1.41 0.28 0.12 0.41 0.00 0.00 173.24 173.02 1win s PHE 117 N -3.49 -0.38 0.28 2.43 2.19 -1.26 -2.74 117.98 115.01 1win s PHE 117 Ca 0.14 0.87 -0.08 0.00 0.33 0.00 0.00 56.93 58.19 1win s PHE 117 Cb -0.05 0.09 -0.00 0.00 -1.31 0.00 0.00 43.02 41.75 1win s PHE 117 CO 0.09 -0.24 0.46 0.99 1.83 0.00 0.00 175.22 178.34 1win s THR 118 N 1.16 0.00 -0.13 0.12 2.01 0.71 -4.75 115.64 114.75 1win s THR 118 Ca -0.08 -1.51 -0.03 0.00 0.31 0.00 0.00 61.69 60.37 1win s THR 118 Cb -0.09 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1win s THR 118 CO -0.08 0.00 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.20 1win s ILE 119 N -3.61 4.15 -0.11 1.82 -1.09 -1.26 -0.14 121.20 120.96 1win s ILE 119 Ca 0.27 -0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.33 1win s ILE 119 Cb -0.00 -2.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1win s ILE 119 CO 0.13 0.53 -0.14 1.17 -1.23 0.00 0.00 174.94 175.40 1win n LYS 120 N 2.96 0.34 -3.64 2.79 3.00 -1.26 -4.82 118.16 117.53 1win n LYS 120 Ca -0.18 0.44 -0.09 0.00 -0.00 0.00 0.00 58.31 58.48 1win n LYS 120 Cb 0.53 -1.44 -0.07 0.00 0.00 0.00 0.00 35.03 34.05 1win n LYS 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1win s ASP 121 N -5.20 -0.71 -0.07 3.14 1.01 -1.26 -4.96 116.67 108.63 1win s ASP 121 Ca -0.12 1.23 0.05 0.00 0.71 0.00 0.00 52.55 54.42 1win s ASP 121 Cb 0.02 1.27 -0.00 0.00 1.01 0.00 0.00 42.92 45.21 1win s ASP 121 CO 0.18 -0.20 -0.22 0.68 0.21 0.00 0.00 175.17 175.81 1win s VAL 122 N 0.93 1.83 0.27 -1.27 -7.23 -1.26 -1.10 120.40 112.58 1win s VAL 122 Ca -0.04 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1win s VAL 122 Cb -0.05 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1win s VAL 122 CO -0.10 0.51 0.15 -0.72 -0.31 0.00 0.00 175.10 174.63 1win s TYR 123 N 0.08 1.49 -0.34 2.82 1.13 0.89 -4.98 117.35 118.45 1win s TYR 123 Ca -0.08 -1.36 -0.12 0.00 -1.41 0.00 0.00 57.07 54.10 1win s TYR 123 Cb -0.14 -0.78 -0.01 0.00 -1.10 0.00 0.00 41.96 39.92 1win s TYR 123 CO 0.05 -0.54 0.21 0.16 -2.51 0.00 0.00 175.55 172.92 1win s ASP 124 N -3.31 5.86 0.13 -0.18 1.47 -1.26 0.18 116.67 119.56 1win s ASP 124 Ca 0.37 -0.55 -0.13 0.00 1.18 0.00 0.00 52.55 53.43 1win s ASP 124 Cb 0.06 -2.08 -0.03 0.00 -0.34 0.00 0.00 42.92 40.53 1win s ASP 124 CO 0.16 -0.25 1.51 0.50 0.68 0.00 0.00 175.17 177.77 1win h LYS 125 N 8.45 0.84 0.00 2.11 3.11 -1.88 -2.83 116.57 126.36 1win h LYS 125 Ca -0.31 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.17 1win h LYS 125 Cb 1.15 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1win h LYS 125 CO 0.64 1.00 0.00 -0.39 -2.81 0.00 0.00 179.45 177.88 1win h VAL 126 N 0.65 0.00 -6.13 2.00 -1.51 -1.94 -3.47 116.25 105.86 1win h VAL 126 Ca 0.09 -0.60 -0.44 0.00 -1.23 0.00 0.00 66.70 64.52 1win h VAL 126 Cb 0.74 1.55 0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1win h VAL 126 CO 0.06 0.00 -0.77 -0.67 -1.23 0.00 0.00 177.57 174.96 1win n ASP 127 N -2.69 -3.76 0.01 4.19 2.03 -1.07 -4.93 116.55 110.32 1win n ASP 127 Ca 0.03 -0.74 -0.01 0.00 0.52 0.00 0.00 54.79 54.59 1win n ASP 127 Cb 0.40 -4.20 -0.00 0.00 -0.72 0.00 0.00 41.12 36.60 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1win h TYR 128 N -2.11 -0.04 -0.58 -0.67 3.20 -1.91 -2.80 116.97 112.06 1win h TYR 128 Ca -0.59 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.24 1win h TYR 128 Cb 1.37 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.63 1win h TYR 128 CO 0.52 -0.02 0.21 1.37 -1.64 0.00 0.00 178.16 178.60 1win h LEU 129 N -0.23 0.81 -1.15 2.82 8.10 -1.98 -2.69 115.31 120.98 1win h LEU 129 Ca -0.00 -0.18 0.05 0.00 0.11 0.00 0.00 57.88 57.85 1win h LEU 129 Cb 0.03 -0.21 -0.05 0.00 -0.44 0.00 0.00 40.66 39.99 1win h LEU 129 CO 0.01 0.77 0.58 -1.28 -4.11 0.00 0.00 178.44 174.41 1win h SER 130 N 0.80 0.93 0.23 0.17 0.87 -1.97 -2.64 113.55 111.94 1win h SER 130 Ca 0.19 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1win h SER 130 Cb 0.23 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1win h SER 130 CO -0.01 0.62 -0.20 -1.28 -0.53 0.00 0.00 176.83 175.43 1win h SER 131 N 1.07 -0.52 -0.80 6.23 0.87 -1.20 -1.97 113.55 117.22 1win h SER 131 Ca 0.36 0.05 0.19 0.00 -1.23 0.00 0.00 61.79 61.16 1win h SER 131 Cb 0.09 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 1win h SER 131 CO -0.12 -0.30 0.55 -0.07 -0.53 0.00 0.00 176.83 176.36 1win h LEU 132 N -0.45 0.26 -2.47 2.23 3.38 -1.37 -3.47 115.31 113.43 1win h LEU 132 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1win h LEU 132 Cb 0.41 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1win h LEU 132 CO -0.03 0.12 -1.02 0.61 0.09 0.00 0.00 178.44 178.21 1win n GLY 133 N -1.58 -3.20 2.55 0.83 0.00 -0.74 -4.84 105.19 98.22 1win n GLY 133 Ca 0.16 0.45 -0.40 0.00 0.00 0.00 0.00 46.02 46.23 1win n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1win n LYS 134 N 1.00 4.62 -4.11 1.61 5.02 -1.26 -4.91 118.16 120.12 1win n LYS 134 Ca -0.04 -3.66 -0.31 0.00 -2.02 0.00 0.00 58.31 52.29 1win n LYS 134 Cb 0.18 -2.64 -0.16 0.00 -0.02 0.00 0.00 35.03 32.39 1win n LYS 134 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1win s THR 135 N -1.47 1.70 0.08 -0.18 -4.23 -1.26 -5.11 115.64 105.16 1win s THR 135 Ca 0.50 -0.72 -0.26 0.00 -1.18 0.00 0.00 61.69 60.04 1win s THR 135 Cb 0.17 -1.57 0.07 0.00 1.34 0.00 0.00 72.50 72.51 1win s THR 135 CO -0.08 0.48 0.62 -1.58 -0.54 0.00 0.00 174.62 173.52 1win s GLN 136 N 1.37 1.18 -0.54 3.99 2.00 -1.26 -5.06 119.66 121.35 1win s GLN 136 Ca 0.03 -0.20 0.02 0.00 -2.00 0.00 0.00 55.36 53.22 1win s GLN 136 Cb -0.13 0.55 0.44 0.00 0.80 0.00 0.00 33.01 34.66 1win s GLN 136 CO -0.10 -0.46 1.64 -2.37 -0.50 0.00 0.00 175.29 173.49 1win n THR 137 N 0.13 3.10 -1.13 -0.34 5.66 -1.26 -5.05 114.28 115.39 1win n THR 137 Ca -0.18 -3.81 -0.44 0.00 -3.05 0.00 0.00 64.05 56.58 1win n THR 137 Cb 0.62 -1.18 -0.06 0.00 -1.55 0.00 0.00 70.33 68.16 1win n THR 137 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1win n SER 138 N -0.74 -0.08 -1.50 1.09 7.64 -1.26 -4.92 113.62 113.84 1win n SER 138 Ca 0.52 0.88 -0.03 0.00 1.01 0.00 0.00 58.87 61.25 1win n SER 138 Cb 0.71 -0.70 -0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1win n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1win n GLY 139 N 1.17 2.33 0.21 0.23 0.00 -1.26 -5.05 105.19 102.81 1win n GLY 139 Ca 0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 1win n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1win h PRO 140 N 0.00 0.39 -6.78 1.61 0.13 -2.09 -3.44 132.00 121.82 1win h PRO 140 Ca -0.08 -0.20 -0.49 0.00 -0.87 0.00 0.00 66.00 64.36 1win h PRO 140 Cb 0.32 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.48 1win h PRO 140 CO 0.11 0.76 -0.00 -1.12 -0.23 0.00 0.00 178.00 177.52 1win s SER 141 N -6.87 6.28 0.03 1.44 0.01 -1.26 -5.11 113.70 108.22 1win s SER 141 Ca -0.06 0.76 0.03 0.00 1.31 0.00 0.00 55.95 57.99 1win s SER 141 Cb 0.13 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 1win s SER 141 CO 0.80 -0.47 -0.09 -0.44 0.41 0.00 0.00 173.24 173.45 1win s SER 142 N -4.06 1.06 0.00 2.44 0.01 -1.26 -5.06 113.70 106.83 1win s SER 142 Ca 0.45 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1win s SER 142 Cb -0.10 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1win s SER 142 CO 0.41 -0.06 0.50 0.61 0.41 0.00 0.00 173.24 175.11