#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 -0.29 0.91 1.61 1.04 -1.26 -5.04 113.70 110.68 1win s SER 2 Ca 0.00 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 56.77 1win s SER 2 Cb 0.00 0.91 0.15 0.00 0.10 0.00 0.00 66.02 67.18 1win s SER 2 CO 0.00 -0.08 1.24 -0.44 0.98 0.00 0.00 173.24 174.94 1win s SER 3 N 0.84 3.57 0.00 7.02 0.01 -1.26 -5.00 113.70 118.88 1win s SER 3 Ca -0.04 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1win s SER 3 Cb -0.04 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1win s SER 3 CO -0.12 -2.47 0.00 0.61 0.41 0.00 0.00 173.24 171.67 1win n GLY 4 N -3.32 0.00 3.16 3.44 0.00 -1.26 -5.16 105.19 102.04 1win n GLY 4 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 2.04 -0.33 1.61 0.01 -1.26 -5.09 113.70 110.68 1win s SER 5 Ca 0.00 -0.32 -0.28 0.00 1.31 0.00 0.00 55.95 56.66 1win s SER 5 Cb 0.00 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 1win s SER 5 CO 0.00 0.20 1.90 -0.94 0.41 0.00 0.00 173.24 174.81 1win s SER 6 N -0.35 5.73 0.00 2.44 1.04 -1.26 -4.86 113.70 116.45 1win s SER 6 Ca 0.05 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1win s SER 6 Cb -0.07 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1win s SER 6 CO -0.00 -1.83 0.00 0.61 0.98 0.00 0.00 173.24 173.00 1win n GLY 7 N 5.52 2.98 0.77 7.32 0.00 -1.26 -5.01 105.19 115.51 1win n GLY 7 Ca 0.24 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.81 2.92 -3.52 1.61 0.00 -1.26 -4.85 117.38 111.47 1win n GLN 8 Ca 0.00 -2.45 -0.38 0.00 0.00 0.00 0.00 57.00 54.17 1win n GLN 8 Cb 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 30.24 28.61 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 -1.93 4.01 0.79 2.61 6.06 -1.26 -4.72 118.95 124.51 1win s ARG 9 Ca 0.33 0.29 -0.11 0.00 -2.50 0.00 0.00 55.73 53.74 1win s ARG 9 Cb 0.23 -3.30 0.07 0.00 0.06 0.00 0.00 34.95 32.01 1win s ARG 9 CO 0.12 0.52 1.11 -1.50 -2.50 0.00 0.00 175.30 173.05 1win s ILE 10 N -0.46 2.95 -0.00 4.11 2.07 -1.26 -4.92 121.20 123.69 1win s ILE 10 Ca 0.22 0.33 0.01 0.00 -1.41 0.00 0.00 60.65 59.80 1win s ILE 10 Cb -0.15 -2.72 -0.00 0.00 0.13 0.00 0.00 42.46 39.72 1win s ILE 10 CO 0.10 -0.38 -0.02 -0.94 -1.91 0.00 0.00 174.94 171.79 1win s SER 11 N -3.03 0.26 -0.28 4.50 1.04 -1.26 -5.11 113.70 109.83 1win s SER 11 Ca 0.64 -0.05 -0.29 0.00 0.48 0.00 0.00 55.95 56.73 1win s SER 11 Cb -0.20 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 1win s SER 11 CO 0.54 0.02 1.71 -0.22 0.98 0.00 0.00 173.24 176.27 1win s LEU 12 N -0.09 3.68 -0.21 2.42 2.96 -1.26 -4.93 118.68 121.26 1win s LEU 12 Ca 0.01 1.44 -0.29 0.00 -0.22 0.00 0.00 54.13 55.07 1win s LEU 12 Cb -0.01 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.29 1win s LEU 12 CO -0.00 -1.50 1.09 -0.70 -1.32 0.00 0.00 176.35 173.92 1win s GLU 13 N 5.20 0.46 0.36 1.98 2.12 -1.26 -5.10 118.70 122.46 1win s GLU 13 Ca 0.76 0.18 -0.25 0.00 0.36 0.00 0.00 54.97 56.02 1win s GLU 13 Cb -0.24 0.22 -0.09 0.00 0.26 0.00 0.00 34.13 34.28 1win s GLU 13 CO 0.32 -0.13 1.02 0.42 -0.54 0.00 0.00 175.26 176.36 1win s ILE 14 N -0.84 3.84 -0.04 -3.70 1.01 -1.26 -4.17 121.20 116.05 1win s ILE 14 Ca 0.01 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.18 1win s ILE 14 Cb -0.01 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1win s ILE 14 CO -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 174.94 174.91 1win s MET 15 N -2.24 1.16 -0.56 2.79 0.23 0.27 -4.76 119.30 116.18 1win s MET 15 Ca 0.54 -0.34 -0.24 0.00 -1.03 0.00 0.00 55.69 54.63 1win s MET 15 Cb -0.22 -1.05 0.04 0.00 -1.53 0.00 0.00 34.83 32.08 1win s MET 15 CO 0.28 0.09 0.93 0.99 -2.03 0.00 0.00 175.02 175.29 1win s THR 16 N 0.33 4.40 -0.27 3.16 2.01 -1.26 -1.65 115.64 122.36 1win s THR 16 Ca -0.06 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.01 1win s THR 16 Cb -0.11 -4.54 -0.05 0.00 0.01 0.00 0.00 72.50 67.81 1win s THR 16 CO 0.01 -1.14 0.23 -0.76 -0.69 0.00 0.00 174.62 172.27 1win s LEU 17 N 3.91 4.04 -0.57 4.42 2.01 -0.48 -4.97 118.68 127.05 1win s LEU 17 Ca 0.29 0.09 -0.12 0.00 0.01 0.00 0.00 54.13 54.41 1win s LEU 17 Cb -0.13 -2.20 0.14 0.00 0.01 0.00 0.00 46.19 44.02 1win s LEU 17 CO 0.18 -0.06 0.48 -1.10 1.01 0.00 0.00 176.35 176.86 1win s GLN 18 N 1.69 2.84 -1.18 1.70 -0.21 -1.26 -1.56 119.66 121.67 1win s GLN 18 Ca 0.09 -1.94 -0.23 0.00 0.02 0.00 0.00 55.36 53.31 1win s GLN 18 Cb -0.15 -4.11 -0.09 0.00 1.00 0.00 0.00 33.01 29.65 1win s GLN 18 CO 0.10 -1.25 1.94 -1.25 -2.12 0.00 0.00 175.29 172.70 1win s PRO 19 N 1.10 2.48 0.09 2.91 0.04 -1.25 -4.93 135.00 135.44 1win s PRO 19 Ca 0.08 -1.17 -0.01 0.00 0.04 0.00 0.00 61.00 59.94 1win s PRO 19 Cb -0.24 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.01 1win s PRO 19 CO -0.01 -4.00 0.27 -0.98 0.04 0.00 0.00 177.00 172.31 1win s ARG 20 N 6.48 3.49 0.01 4.56 1.70 -0.54 -4.20 118.95 130.46 1win s ARG 20 Ca 0.68 -0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 1win s ARG 20 Cb -0.01 -2.98 -0.01 0.00 -0.57 0.00 0.00 34.95 31.38 1win s ARG 20 CO 0.13 0.56 -0.02 0.00 -1.08 0.00 0.00 175.30 174.89 1win s GLU 22 N -0.87 1.03 -1.32 0.00 0.41 -1.26 -2.61 118.70 114.08 1win s GLU 22 Ca -0.09 -1.32 -0.10 0.00 -0.41 0.00 0.00 54.97 53.04 1win s GLU 22 Cb -0.06 -0.77 0.00 0.00 -1.78 0.00 0.00 34.13 31.53 1win s GLU 22 CO -0.01 0.13 0.51 -0.40 -0.49 0.00 0.00 175.26 175.00 1win n ASP 23 N 0.22 -2.06 -3.99 -0.19 5.75 -1.25 -4.92 116.55 110.11 1win n ASP 23 Ca -0.13 -1.08 -0.32 0.00 -0.01 0.00 0.00 54.79 53.25 1win n ASP 23 Cb 0.59 -2.81 -0.11 0.00 -1.03 0.00 0.00 41.12 37.75 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1win s VAL 24 N -3.81 3.26 0.13 2.12 -7.23 -1.24 -4.92 120.40 108.70 1win s VAL 24 Ca 0.20 -3.69 -0.33 0.00 -1.81 0.00 0.00 61.98 56.35 1win s VAL 24 Cb -0.08 -3.13 -0.18 0.00 0.56 0.00 0.00 36.38 33.55 1win s VAL 24 CO 0.90 -0.94 0.86 -0.62 -0.31 0.00 0.00 175.10 174.99 1win n GLU 25 N 2.64 0.30 -0.84 4.82 1.02 -1.26 -3.24 120.64 124.08 1win n GLU 25 Ca 0.14 0.11 -0.18 0.00 -0.02 0.00 0.00 57.16 57.21 1win n GLU 25 Cb 0.35 -1.39 0.14 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.82 0.00 -0.20 2.62 -2.24 0.93 -4.61 114.28 111.60 1win n THR 26 Ca 0.18 -0.42 0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1win n THR 26 Cb 0.19 -1.39 0.31 0.00 -2.10 0.00 0.00 70.33 67.35 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 -2.19 1.62 0.06 6.98 0.00 -0.89 -2.91 119.26 121.93 1win h ALA 27 Ca -0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1win h ALA 27 Cb 0.73 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1win h ALA 27 CO 0.17 0.28 -0.42 1.05 0.00 0.00 0.00 179.25 180.33 1win h GLU 28 N 0.85 0.12 0.00 0.00 4.11 -1.86 -3.49 114.58 114.32 1win h GLU 28 Ca 0.31 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1win h GLU 28 Cb 0.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1win h GLU 28 CO -0.10 1.10 0.00 0.41 0.07 0.00 0.00 179.01 180.49 1win n GLY 29 N 1.63 0.00 2.70 1.06 0.00 -1.10 -5.15 105.19 104.33 1win n GLY 29 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1win n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 30 N 0.00 0.23 0.14 1.61 1.01 -1.26 -4.75 120.40 117.38 1win s VAL 30 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 1win s VAL 30 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 1win s VAL 30 CO 0.00 -0.09 1.51 0.00 0.00 0.00 0.00 175.10 176.52 1win s ALA 31 N 2.00 3.71 0.25 5.51 0.00 -1.26 -0.05 121.76 131.93 1win s ALA 31 Ca 0.02 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.32 1win s ALA 31 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 1win s ALA 31 CO -0.07 -0.75 -0.08 -0.51 0.00 0.00 0.00 175.76 174.35 1win s LEU 32 N 1.24 2.48 -0.32 0.00 2.01 -1.20 -4.59 118.68 118.29 1win s LEU 32 Ca 0.68 -1.14 0.03 0.00 0.01 0.00 0.00 54.13 53.71 1win s LEU 32 Cb -0.41 -0.61 0.09 0.00 0.01 0.00 0.00 46.19 45.27 1win s LEU 32 CO 0.31 -0.31 0.02 -0.89 1.01 0.00 0.00 176.35 176.49 1win s THR 33 N -3.04 2.33 -0.34 5.49 2.01 0.19 -3.69 115.64 118.60 1win s THR 33 Ca 0.27 -2.15 -0.07 0.00 0.31 0.00 0.00 61.69 60.05 1win s THR 33 Cb 0.03 -2.63 0.03 0.00 0.01 0.00 0.00 72.50 69.94 1win s THR 33 CO 0.10 -0.46 0.12 -0.69 -0.69 0.00 0.00 174.62 173.00 1win s VAL 34 N 0.97 4.00 0.02 3.82 1.01 -1.07 -0.66 120.40 128.48 1win s VAL 34 Ca 0.06 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1win s VAL 34 Cb -0.19 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.84 1win s VAL 34 CO -0.07 -0.13 1.15 0.74 0.00 0.00 0.00 175.10 176.79 1win h THR 35 N 6.03 0.00 -1.89 3.92 2.02 -1.61 -1.32 112.91 120.07 1win h THR 35 Ca -0.26 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1win h THR 35 Cb 1.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1win h THR 35 CO 0.62 0.00 -0.49 0.61 0.37 0.00 0.00 175.52 176.63 1win n GLY 36 N -0.80 -3.48 2.99 2.16 0.00 -1.26 -1.47 105.19 103.32 1win n GLY 36 Ca -0.11 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.52 -0.24 -0.04 1.61 1.01 0.37 -3.86 120.40 114.74 1win s VAL 37 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1win s VAL 37 Cb 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1win s VAL 37 CO 0.00 0.10 0.10 0.00 0.00 0.00 0.00 175.10 175.30 1win s ALA 38 N 1.91 -0.21 -0.20 5.51 0.00 -0.60 0.01 121.76 128.19 1win s ALA 38 Ca -0.03 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.19 1win s ALA 38 Cb -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1win s ALA 38 CO -0.08 -0.09 0.33 -1.14 0.00 0.00 0.00 175.76 174.78 1win s GLN 39 N 0.53 4.18 0.24 0.00 0.74 -0.87 -1.38 119.66 123.10 1win s GLN 39 Ca -0.04 0.09 0.07 0.00 0.05 0.00 0.00 55.36 55.53 1win s GLN 39 Cb -0.06 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1win s GLN 39 CO -0.02 0.06 -0.09 0.54 -0.55 0.00 0.00 175.29 175.23 1win s VAL 40 N 1.02 1.58 0.05 1.34 0.11 -0.66 -2.02 120.40 121.83 1win s VAL 40 Ca 0.16 -2.15 -0.21 0.00 -2.93 0.00 0.00 61.98 56.86 1win s VAL 40 Cb -0.14 -2.24 0.05 0.00 -1.53 0.00 0.00 36.38 32.52 1win s VAL 40 CO 0.06 -0.45 0.48 -1.59 -3.33 0.00 0.00 175.10 170.28 1win s LYS 41 N -3.71 1.01 0.24 1.54 0.00 -1.23 -0.57 119.74 117.01 1win s LYS 41 Ca 0.26 -0.30 -0.30 0.00 0.00 0.00 0.00 55.97 55.63 1win s LYS 41 Cb 0.02 0.46 -0.10 0.00 0.00 0.00 0.00 37.83 38.21 1win s LYS 41 CO 0.09 -0.36 1.37 0.42 0.00 0.00 0.00 175.35 176.87 1win s ILE 42 N -2.55 2.90 0.84 3.79 -1.09 -1.26 -3.59 121.20 120.24 1win s ILE 42 Ca -0.05 0.76 -0.14 0.00 -2.23 0.00 0.00 60.65 59.00 1win s ILE 42 Cb -0.01 -3.49 0.20 0.00 -1.58 0.00 0.00 42.46 37.58 1win s ILE 42 CO -0.03 0.13 1.01 0.23 -1.23 0.00 0.00 174.94 175.05 1win n MET 43 N 2.29 -1.51 -0.01 2.79 2.81 -1.23 -4.94 117.12 117.32 1win n MET 43 Ca 0.06 -1.57 -0.01 0.00 -1.81 0.00 0.00 57.70 54.37 1win n MET 43 Cb 0.41 -1.15 -0.01 0.00 -0.71 0.00 0.00 33.22 31.76 1win n MET 43 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1win n THR 44 N -3.73 0.11 -3.89 2.03 -1.04 -1.26 -5.04 114.28 101.45 1win n THR 44 Ca 0.13 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.78 1win n THR 44 Cb 0.46 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 1win n THR 44 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1win n GLU 45 N -2.06 -2.29 -0.36 -2.82 -0.58 -1.26 -4.18 120.64 107.09 1win n GLU 45 Ca -0.03 0.38 0.30 0.00 -0.42 0.00 0.00 57.16 57.39 1win n GLU 45 Cb 0.55 -4.19 0.49 0.00 -0.57 0.00 0.00 31.44 27.72 1win n GLU 45 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1win n LYS 46 N -4.40 -0.02 0.06 3.49 5.02 -1.26 0.19 118.16 121.24 1win n LYS 46 Ca -0.23 0.85 -0.13 0.00 -2.02 0.00 0.00 58.31 56.78 1win n LYS 46 Cb 0.65 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1win n LYS 46 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1win h GLU 47 N 0.00 -0.17 -0.48 1.97 4.81 -2.06 -3.45 114.58 115.19 1win h GLU 47 Ca 0.62 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 60.06 1win h GLU 47 Cb 2.09 0.04 -0.21 0.00 0.63 0.00 0.00 28.75 31.31 1win h GLU 47 CO -0.26 0.21 0.01 -1.17 -0.73 0.00 0.00 179.01 177.06 1win s LEU 48 N -9.36 -0.69 0.22 1.64 2.96 0.51 -5.02 118.68 108.93 1win s LEU 48 Ca -0.15 0.35 0.24 0.00 -0.22 0.00 0.00 54.13 54.35 1win s LEU 48 Cb 0.02 1.55 0.31 0.00 0.50 0.00 0.00 46.19 48.57 1win s LEU 48 CO 0.60 -0.13 1.37 0.25 -1.32 0.00 0.00 176.35 177.12 1win h LEU 49 N 7.88 0.00 -1.74 -0.68 7.12 -1.70 -3.35 115.31 122.84 1win h LEU 49 Ca -0.14 -0.08 0.51 0.00 0.13 0.00 0.00 57.88 58.30 1win h LEU 49 Cb 1.17 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.23 1win h LEU 49 CO -0.02 0.04 1.30 0.00 -0.13 0.00 0.00 178.44 179.64 1win n ALA 50 N -1.98 1.67 -0.08 1.25 0.00 -1.26 0.24 120.51 120.35 1win n ALA 50 Ca 0.03 0.58 -0.07 0.00 0.00 0.00 0.00 53.44 53.98 1win n ALA 50 Cb 0.49 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.45 -0.00 0.00 3.04 -1.94 0.44 116.25 118.24 1win h VAL 51 Ca 0.83 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 66.35 1win h VAL 51 Cb 3.43 0.45 0.01 0.00 -2.01 0.00 0.00 31.29 33.17 1win h VAL 51 CO -0.01 0.00 -0.66 0.00 -1.01 0.00 0.00 177.57 175.89 1win h ALA 52 N 1.04 0.08 -0.35 3.17 0.00 -0.37 -3.12 119.26 119.71 1win h ALA 52 Ca 0.17 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1win h ALA 52 Cb 0.41 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 1win h ALA 52 CO -0.42 0.40 -0.31 0.00 0.00 0.00 0.00 179.25 178.92 1win n GLU 54 N -5.41 1.71 0.00 0.00 1.02 0.12 -1.44 120.64 116.64 1win n GLU 54 Ca 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 1win n GLU 54 Cb 0.33 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1win n GLU 54 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1win n GLN 55 N 0.11 2.11 -0.04 3.49 -0.06 0.15 -4.81 117.38 118.33 1win n GLN 55 Ca 0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.02 1win n GLN 55 Cb 0.42 -0.88 -0.06 0.00 -4.06 0.00 0.00 30.24 25.66 1win n GLN 55 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1win n PHE 56 N -1.33 0.00 -0.30 3.69 3.72 0.15 -4.59 117.46 118.80 1win n PHE 56 Ca 0.00 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.59 1win n PHE 56 Cb 0.15 -0.37 0.47 0.00 -0.94 0.00 0.00 39.48 38.79 1win n PHE 56 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1win h LEU 57 N 0.00 0.49 -1.74 4.37 3.38 -1.41 0.56 115.31 120.96 1win h LEU 57 Ca -0.19 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1win h LEU 57 Cb 1.37 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1win h LEU 57 CO 0.01 0.15 -0.07 1.23 0.09 0.00 0.00 178.44 179.85 1win h GLY 58 N 0.47 0.00 -2.03 0.83 0.00 -1.81 -3.44 103.07 97.09 1win h GLY 58 Ca 0.54 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.28 1win h GLY 58 CO -0.26 0.00 -0.63 -1.59 0.00 0.00 0.00 176.54 174.05 1win s LYS 59 N -3.87 1.99 0.95 4.80 -2.85 0.20 -5.15 119.74 115.81 1win s LYS 59 Ca -0.01 -1.83 -0.15 0.00 -1.00 0.00 0.00 55.97 52.98 1win s LYS 59 Cb 0.11 -1.84 0.19 0.00 -2.06 0.00 0.00 37.83 34.23 1win s LYS 59 CO 0.55 0.12 1.30 -0.80 0.10 0.00 0.00 175.35 176.63 1win s ASN 60 N -3.69 3.21 0.28 0.03 0.01 -1.26 -4.89 114.94 108.63 1win s ASN 60 Ca 0.34 0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.74 1win s ASN 60 Cb 0.01 -0.32 0.40 0.00 0.41 0.00 0.00 41.25 41.76 1win s ASN 60 CO 0.18 -2.67 1.76 -0.37 -1.51 0.00 0.00 177.10 174.49 1win h VAL 61 N -1.57 1.24 -0.00 1.60 -1.51 -1.88 -3.09 116.25 111.04 1win h VAL 61 Ca -0.44 -1.07 0.01 0.00 -1.23 0.00 0.00 66.70 63.96 1win h VAL 61 Cb 1.24 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1win h VAL 61 CO 0.39 0.36 -0.04 1.56 -1.23 0.00 0.00 177.57 178.60 1win h GLN 62 N 0.58 -0.08 -0.45 5.19 4.20 -1.99 -3.07 115.11 119.50 1win h GLN 62 Ca 0.11 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1win h GLN 62 Cb 0.52 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 1win h GLN 62 CO 0.03 -0.05 -0.56 -0.44 -0.67 0.00 0.00 178.83 177.14 1win h ASP 63 N -0.08 -1.88 -0.30 1.46 3.32 -1.91 -2.47 116.42 114.56 1win h ASP 63 Ca 0.02 0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1win h ASP 63 Cb 0.10 0.77 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 1win h ASP 63 CO -0.05 -0.39 -0.18 -0.38 -1.72 0.00 0.00 179.24 176.52 1win n ILE 64 N -5.35 -0.20 -0.31 0.35 -0.00 -1.16 -0.18 119.36 112.50 1win n ILE 64 Ca -0.03 1.53 -0.01 0.00 -0.00 0.00 0.00 62.75 64.24 1win n ILE 64 Cb 0.33 -1.97 0.04 0.00 -0.00 0.00 0.00 39.64 38.04 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 -3.63 -0.18 -0.20 0.38 4.01 -0.94 0.13 118.16 117.73 1win n LYS 65 Ca 0.01 1.25 -0.08 0.00 -0.51 0.00 0.00 58.31 58.98 1win n LYS 65 Cb 0.08 -1.85 0.02 0.00 -0.51 0.00 0.00 35.03 32.77 1win n LYS 65 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1win h ASN 66 N 0.00 0.79 0.80 4.39 2.35 -0.43 -2.08 115.58 121.40 1win h ASN 66 Ca 0.29 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1win h ASN 66 Cb 0.49 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1win h ASN 66 CO -0.81 0.75 -0.45 0.58 -1.65 0.00 0.00 177.43 175.85 1win h VAL 67 N 0.78 0.08 -0.66 2.81 2.07 0.42 -0.09 116.25 121.66 1win h VAL 67 Ca 0.19 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.89 1win h VAL 67 Cb 0.21 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1win h VAL 67 CO -0.01 0.00 0.47 0.58 0.02 0.00 0.00 177.57 178.62 1win h VAL 68 N -1.16 0.70 -0.15 2.57 2.07 -0.42 -0.62 116.25 119.24 1win h VAL 68 Ca -0.11 -0.03 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1win h VAL 68 Cb 0.92 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1win h VAL 68 CO 0.13 0.01 -0.44 0.25 0.02 0.00 0.00 177.57 177.55 1win h LEU 69 N 0.08 0.65 -1.38 2.57 5.85 -0.85 -3.15 115.31 119.08 1win h LEU 69 Ca 0.32 -0.59 0.17 0.00 0.84 0.00 0.00 57.88 58.62 1win h LEU 69 Cb 1.15 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1win h LEU 69 CO -0.03 1.13 0.58 1.56 -0.34 0.00 0.00 178.44 181.34 1win h GLN 70 N 0.21 0.54 0.87 1.25 4.20 0.60 0.58 115.11 123.35 1win h GLN 70 Ca -0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1win h GLN 70 Cb 1.06 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.73 1win h GLN 70 CO 0.09 0.36 -0.42 1.15 -0.67 0.00 0.00 178.83 179.35 1win h THR 71 N 0.56 0.02 0.49 -0.54 2.02 -1.47 -0.75 112.91 113.23 1win h THR 71 Ca 0.46 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.48 1win h THR 71 Cb 0.92 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1win h THR 71 CO -0.20 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.39 1win h LEU 72 N -1.30 -0.55 -0.72 2.58 3.38 -1.45 -2.70 115.31 114.55 1win h LEU 72 Ca -0.12 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 57.92 1win h LEU 72 Cb 0.90 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 1win h LEU 72 CO 0.20 -0.18 -0.20 -0.08 0.09 0.00 0.00 178.44 178.27 1win h GLU 73 N -0.99 -0.02 0.22 1.13 4.81 0.03 -0.37 114.58 119.40 1win h GLU 73 Ca -0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1win h GLU 73 Cb 0.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1win h GLU 73 CO 0.11 -0.01 -0.20 0.78 -0.73 0.00 0.00 179.01 178.96 1win h GLY 74 N -0.02 -0.88 -0.56 1.92 0.00 -1.15 -2.86 103.07 99.52 1win h GLY 74 Ca 0.34 0.39 0.21 0.00 0.00 0.00 0.00 47.33 48.27 1win h GLY 74 CO -0.74 -0.30 0.03 0.45 0.00 0.00 0.00 176.54 175.98 1win h HIS 75 N -0.42 -0.02 -0.97 5.60 3.86 -1.10 -0.50 115.15 121.60 1win h HIS 75 Ca -0.03 0.06 0.13 0.00 -1.16 0.00 0.00 60.37 59.37 1win h HIS 75 Cb 0.36 0.14 -0.15 0.00 1.06 0.00 0.00 27.41 28.82 1win h HIS 75 CO -0.11 -0.29 -0.43 -0.11 0.86 0.00 0.00 177.93 177.84 1win n LEU 76 N -5.38 -0.74 0.00 2.43 7.94 -0.19 -1.29 117.00 119.77 1win n LEU 76 Ca 0.17 1.71 -0.02 0.00 -1.11 0.00 0.00 56.01 56.75 1win n LEU 76 Cb 0.57 -0.34 -0.02 0.00 0.53 0.00 0.00 43.42 44.17 1win n LEU 76 CO 0.01 -1.49 0.50 0.03 -1.11 0.00 0.00 177.39 175.33 1win h ARG 77 N 0.00 -0.09 -0.99 1.96 3.08 -1.03 0.54 114.38 117.85 1win h ARG 77 Ca 0.29 0.01 0.35 0.00 0.07 0.00 0.00 59.98 60.69 1win h ARG 77 Cb 0.53 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.42 1win h ARG 77 CO -0.95 -0.06 0.33 1.03 -1.07 0.00 0.00 179.97 179.25 1win h SER 78 N -0.09 0.01 -0.08 7.04 0.87 -1.33 1.42 113.55 121.38 1win h SER 78 Ca 0.00 0.26 -0.15 0.00 -1.23 0.00 0.00 61.79 60.67 1win h SER 78 Cb 0.11 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1win h SER 78 CO -0.07 -0.37 -0.46 0.40 -0.53 0.00 0.00 176.83 175.80 1win h ILE 79 N 0.04 1.30 -0.23 2.23 1.08 -0.06 -3.04 117.51 118.84 1win h ILE 79 Ca 0.73 -1.66 -0.14 0.00 -0.39 0.00 0.00 64.86 63.40 1win h ILE 79 Cb 1.75 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 37.11 1win h ILE 79 CO -0.81 0.53 -0.43 0.25 -0.69 0.00 0.00 178.15 177.00 1win h LEU 80 N 0.51 0.59 0.36 1.44 6.46 0.69 -3.04 115.31 122.32 1win h LEU 80 Ca 0.03 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1win h LEU 80 Cb 1.00 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1win h LEU 80 CO 0.09 0.94 -0.17 1.23 -0.62 0.00 0.00 178.44 179.91 1win h GLY 81 N 1.06 -0.51 2.00 3.75 0.00 -0.32 -2.20 103.07 106.86 1win h GLY 81 Ca 0.03 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1win h GLY 81 CO 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 176.54 176.44 1win h THR 82 N -0.51 0.03 -2.80 4.70 1.03 -1.57 -0.31 112.91 113.49 1win h THR 82 Ca -0.05 -0.03 -0.64 0.00 -0.01 0.00 0.00 66.41 65.68 1win h THR 82 Cb 0.39 1.03 -0.05 0.00 -1.07 0.00 0.00 68.15 68.44 1win h THR 82 CO 0.08 0.00 -0.49 -0.76 -0.01 0.00 0.00 175.52 174.34 1win s LEU 83 N -6.25 4.37 0.16 0.00 1.43 -0.83 -4.84 118.68 112.72 1win s LEU 83 Ca -0.05 0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1win s LEU 83 Cb 0.13 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 1win s LEU 83 CO 0.43 0.27 0.40 0.42 0.23 0.00 0.00 176.35 178.09 1win s THR 84 N -1.31 5.14 0.05 5.49 -4.23 -1.26 -2.84 115.64 116.68 1win s THR 84 Ca 0.27 0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.74 1win s THR 84 Cb -0.13 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1win s THR 84 CO 0.18 0.02 0.92 0.52 -0.54 0.00 0.00 174.62 175.72 1win n VAL 85 N 0.03 -0.23 -0.04 2.29 0.31 -1.26 -1.36 118.33 118.07 1win n VAL 85 Ca -0.02 1.42 -0.01 0.00 -0.01 0.00 0.00 64.34 65.71 1win n VAL 85 Cb 0.52 -1.81 -0.01 0.00 -0.91 0.00 0.00 33.84 31.63 1win n VAL 85 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1win h GLU 86 N 0.00 -0.01 -0.87 5.55 5.08 -1.99 -0.42 114.58 121.91 1win h GLU 86 Ca 0.05 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1win h GLU 86 Cb 0.14 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.25 1win h GLU 86 CO -0.32 -0.01 -0.33 1.04 -1.00 0.00 0.00 179.01 178.39 1win n GLN 87 N -3.17 -0.20 -0.21 2.33 6.02 -0.47 0.79 117.38 122.48 1win n GLN 87 Ca 0.00 1.35 0.01 0.00 -0.01 0.00 0.00 57.00 58.34 1win n GLN 87 Cb 0.03 -2.00 0.09 0.00 1.02 0.00 0.00 30.24 29.38 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 0.41 0.04 5.09 2.04 -0.05 -1.94 117.51 123.10 1win h ILE 88 Ca 0.31 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.15 1win h ILE 88 Cb 0.53 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1win h ILE 88 CO -0.87 0.01 -0.02 1.88 0.00 0.00 0.00 178.15 179.15 1win h TYR 89 N 0.05 -0.05 -0.38 1.37 0.05 0.11 -3.32 116.97 114.80 1win h TYR 89 Ca 0.32 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.13 1win h TYR 89 Cb 0.51 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.22 1win h TYR 89 CO -0.45 0.37 -0.23 1.04 -1.05 0.00 0.00 178.16 177.84 1win n GLN 90 N -4.91 -0.17 -3.87 4.88 1.13 0.77 -4.16 117.38 111.06 1win n GLN 90 Ca -0.08 0.94 -0.27 0.00 -1.94 0.00 0.00 57.00 55.65 1win n GLN 90 Cb 0.23 -1.39 -0.17 0.00 0.11 0.00 0.00 30.24 29.02 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 -4.23 2.33 -0.07 1.08 1.01 -1.03 -5.04 116.67 110.72 1win s ASP 91 Ca -0.05 -0.41 -0.00 0.00 0.71 0.00 0.00 52.55 52.80 1win s ASP 91 Cb 0.04 -0.78 -0.00 0.00 1.01 0.00 0.00 42.92 43.19 1win s ASP 91 CO 0.24 -0.16 0.01 0.03 0.21 0.00 0.00 175.17 175.49 1win h ARG 92 N 8.19 -0.00 -0.74 8.23 2.47 -1.72 -3.26 114.38 127.54 1win h ARG 92 Ca -0.26 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.56 1win h ARG 92 Cb 1.12 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.34 1win h ARG 92 CO 0.38 -0.00 -0.36 -3.47 0.56 0.00 0.00 179.97 177.07 1win n ASP 93 N -4.03 -0.63 0.03 7.04 -0.08 -1.26 -0.30 116.55 117.31 1win n ASP 93 Ca -0.00 1.31 -0.14 0.00 -1.51 0.00 0.00 54.79 54.45 1win n ASP 93 Cb 0.00 -0.24 -0.09 0.00 2.34 0.00 0.00 41.12 43.14 1win n ASP 93 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1win h GLN 94 N 0.00 -0.54 -0.91 -0.67 5.75 -1.97 0.19 115.11 116.95 1win h GLN 94 Ca 0.19 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.82 1win h GLN 94 Cb 0.38 0.12 -0.12 0.00 1.07 0.00 0.00 27.48 28.93 1win h GLN 94 CO -0.72 -0.36 -0.55 0.35 -2.65 0.00 0.00 178.83 174.90 1win h PHE 95 N -0.56 -1.72 -0.12 3.99 3.57 -0.70 0.39 116.94 121.79 1win h PHE 95 Ca 0.02 0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1win h PHE 95 Cb 0.63 0.87 -0.03 0.00 2.79 0.00 0.00 35.95 40.21 1win h PHE 95 CO -0.53 -0.39 -0.06 0.00 -2.23 0.00 0.00 178.31 175.10 1win h ALA 96 N 0.59 0.04 -1.06 2.41 0.00 -0.93 -2.03 119.26 118.28 1win h ALA 96 Ca 0.18 0.05 0.41 0.00 0.00 0.00 0.00 54.91 55.55 1win h ALA 96 Cb 0.47 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.24 1win h ALA 96 CO -0.90 -0.52 0.60 -0.22 0.00 0.00 0.00 179.25 178.22 1win h LYS 97 N -0.05 0.06 -0.33 0.00 3.64 0.16 1.14 116.57 121.18 1win h LYS 97 Ca 0.07 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1win h LYS 97 Cb 0.16 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1win h LYS 97 CO -0.16 0.04 -0.36 -0.07 -2.27 0.00 0.00 179.45 176.63 1win h LEU 98 N 0.06 0.89 -0.62 5.20 3.38 -0.73 0.10 115.31 123.59 1win h LEU 98 Ca 0.83 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 58.30 1win h LEU 98 Cb 2.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 1win h LEU 98 CO -0.69 1.18 0.28 0.58 0.09 0.00 0.00 178.44 179.88 1win h VAL 99 N 0.60 1.22 -0.01 1.22 2.07 0.14 -1.38 116.25 120.12 1win h VAL 99 Ca 0.05 -0.66 -0.23 0.00 0.82 0.00 0.00 66.70 66.69 1win h VAL 99 Cb 0.95 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1win h VAL 99 CO 0.09 0.26 -0.93 0.08 0.02 0.00 0.00 177.57 177.09 1win h ARG 100 N 0.86 0.45 -0.09 1.57 0.11 -1.01 -1.84 114.38 114.43 1win h ARG 100 Ca 0.21 -0.47 -0.04 0.00 0.10 0.00 0.00 59.98 59.78 1win h ARG 100 Cb 0.15 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 1win h ARG 100 CO -0.02 1.12 -0.15 0.93 0.10 0.00 0.00 179.97 181.95 1win h GLU 101 N 0.26 0.13 0.00 0.08 3.07 -0.59 0.92 114.58 118.45 1win h GLU 101 Ca -0.08 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.59 1win h GLU 101 Cb 1.56 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.43 1win h GLU 101 CO 0.16 0.29 -1.23 -0.24 -1.40 0.00 0.00 179.01 176.59 1win h VAL 102 N 0.13 0.61 0.00 3.13 3.04 -1.23 -3.34 116.25 118.58 1win h VAL 102 Ca 0.03 -2.09 -0.05 0.00 -1.01 0.00 0.00 66.70 63.57 1win h VAL 102 Cb 0.35 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 1win h VAL 102 CO 0.02 0.35 -1.15 0.00 -1.01 0.00 0.00 177.57 175.78 1win n ALA 103 N -2.36 2.34 0.29 3.17 0.00 -0.70 -3.87 120.51 119.39 1win n ALA 103 Ca -0.07 -0.33 -0.18 0.00 0.00 0.00 0.00 53.44 52.86 1win n ALA 103 Cb 0.83 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 1win n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1win h ALA 104 N 1.82 -1.09 0.00 0.00 0.00 0.75 0.31 119.26 121.05 1win h ALA 104 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1win h ALA 104 Cb 1.18 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1win h ALA 104 CO 0.01 -1.15 0.00 -1.00 0.00 0.00 0.00 179.25 177.12 1win h PRO 105 N -0.98 0.00 0.00 0.00 0.13 -1.75 -3.10 132.00 126.30 1win h PRO 105 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1win h PRO 105 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1win h PRO 105 CO -0.05 0.00 -0.16 -0.44 -0.23 0.00 0.00 178.00 177.12 1win h ASP 106 N 0.00 0.00 -1.22 1.44 5.19 -1.50 -3.37 116.42 116.97 1win h ASP 106 Ca 0.00 0.00 0.36 0.00 -0.62 0.00 0.00 57.03 56.77 1win h ASP 106 Cb 0.37 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.77 1win h ASP 106 CO 0.00 0.41 0.80 -0.37 -3.12 0.00 0.00 179.24 176.96 1win h VAL 107 N -0.66 0.31 -1.07 -1.35 -1.51 -0.47 0.32 116.25 111.82 1win h VAL 107 Ca 0.00 -0.07 0.29 0.00 -1.23 0.00 0.00 66.70 65.69 1win h VAL 107 Cb 0.16 0.10 -0.08 0.00 -2.13 0.00 0.00 31.29 29.34 1win h VAL 107 CO 0.00 0.04 0.72 1.23 -1.23 0.00 0.00 177.57 178.33 1win h GLY 108 N 0.20 0.75 0.59 5.19 0.00 -1.45 -0.86 103.07 107.49 1win h GLY 108 Ca 0.70 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.92 1win h GLY 108 CO -0.31 -0.09 -0.27 3.21 0.00 0.00 0.00 176.54 179.08 1win h ARG 109 N 0.24 -0.50 -0.36 4.80 2.47 -0.54 -2.51 114.38 117.98 1win h ARG 109 Ca 0.57 0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 59.24 1win h ARG 109 Cb 1.75 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 30.17 1win h ARG 109 CO -0.19 -0.33 -0.15 0.00 0.56 0.00 0.00 179.97 179.86 1win h MET 110 N -0.52 0.65 0.00 0.04 -0.00 -1.36 -3.47 114.93 110.27 1win h MET 110 Ca 0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1win h MET 110 Cb 0.52 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1win h MET 110 CO -0.12 0.77 0.00 0.41 -0.00 0.00 0.00 176.91 177.97 1win n GLY 111 N -0.46 1.90 3.43 -3.00 0.00 -0.61 -4.13 105.19 102.33 1win n GLY 111 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.90 2.78 -0.10 -0.61 -1.09 -0.95 -3.51 121.20 115.82 1win s ILE 112 Ca 0.00 -0.84 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 1win s ILE 112 Cb 0.00 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 1win s ILE 112 CO 0.00 0.58 -0.22 -0.70 -1.23 0.00 0.00 174.94 173.38 1win s GLU 113 N -0.71 3.02 0.14 2.79 2.12 -1.24 -2.96 118.70 121.86 1win s GLU 113 Ca 0.11 -0.84 -0.27 0.00 0.36 0.00 0.00 54.97 54.33 1win s GLU 113 Cb -0.10 -2.35 -0.07 0.00 0.26 0.00 0.00 34.13 31.87 1win s GLU 113 CO 0.00 0.23 0.84 0.96 -0.54 0.00 0.00 175.26 176.76 1win s ILE 114 N 0.23 4.43 -0.24 -3.70 -5.25 -1.26 -3.52 121.20 111.89 1win s ILE 114 Ca -0.14 1.83 -0.17 0.00 -0.99 0.00 0.00 60.65 61.18 1win s ILE 114 Cb -0.17 -4.21 -0.14 0.00 2.95 0.00 0.00 42.46 40.90 1win s ILE 114 CO 0.07 0.44 -0.15 0.18 -1.79 0.00 0.00 174.94 173.69 1win n LEU 115 N 2.11 1.91 -3.63 0.37 4.77 -0.85 -5.03 117.00 116.66 1win n LEU 115 Ca -0.03 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1win n LEU 115 Cb 0.49 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1win n LEU 115 CO 0.48 0.35 0.22 -0.55 -1.33 0.00 0.00 177.39 176.56 1win s SER 116 N -7.06 -0.38 -0.09 -1.43 0.15 -1.18 -5.01 113.70 98.70 1win s SER 116 Ca -0.33 0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 1win s SER 116 Cb 0.10 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1win s SER 116 CO 0.51 -0.63 0.03 0.12 1.20 0.00 0.00 173.24 174.47 1win s PHE 117 N -2.04 0.48 0.33 3.44 2.19 -1.26 -2.04 117.98 119.08 1win s PHE 117 Ca -0.08 -0.15 0.03 0.00 0.33 0.00 0.00 56.93 57.06 1win s PHE 117 Cb -0.01 -0.73 -0.04 0.00 -1.31 0.00 0.00 43.02 40.93 1win s PHE 117 CO 0.01 -0.35 0.12 0.99 1.83 0.00 0.00 175.22 177.82 1win s THR 118 N 2.03 0.63 -0.21 0.12 2.01 0.10 -4.55 115.64 115.77 1win s THR 118 Ca 0.04 -2.00 -0.05 0.00 0.31 0.00 0.00 61.69 59.99 1win s THR 118 Cb -0.13 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1win s THR 118 CO -0.05 0.00 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.24 1win s ILE 119 N -3.44 3.76 -0.02 1.82 -1.09 -1.26 -0.48 121.20 120.50 1win s ILE 119 Ca 0.33 -0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 1win s ILE 119 Cb 0.05 -2.71 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 1win s ILE 119 CO 0.16 0.41 0.37 0.50 -1.23 0.00 0.00 174.94 175.15 1win h LYS 120 N 7.85 -0.14 -1.75 2.79 1.63 -1.89 -3.45 116.57 121.60 1win h LYS 120 Ca -0.38 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.45 1win h LYS 120 Cb 1.17 0.03 -0.24 0.00 -0.60 0.00 0.00 32.23 32.59 1win h LYS 120 CO 0.60 -0.09 0.33 0.34 -3.45 0.00 0.00 179.45 177.18 1win s ASP 121 N -3.49 -0.57 -0.15 4.20 2.15 -1.26 -4.93 116.67 112.62 1win s ASP 121 Ca -0.02 1.09 0.02 0.00 0.43 0.00 0.00 52.55 54.07 1win s ASP 121 Cb 0.00 1.11 0.01 0.00 -0.30 0.00 0.00 42.92 43.74 1win s ASP 121 CO 0.06 -0.19 -0.20 0.68 -0.17 0.00 0.00 175.17 175.35 1win s VAL 122 N 0.29 2.16 0.24 1.11 -7.23 -1.26 -1.69 120.40 114.02 1win s VAL 122 Ca 0.02 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1win s VAL 122 Cb -0.05 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1win s VAL 122 CO -0.03 0.54 0.13 -0.72 -0.31 0.00 0.00 175.10 174.70 1win s TYR 123 N 0.92 1.40 -0.12 2.82 1.13 0.16 -4.97 117.35 118.69 1win s TYR 123 Ca -0.04 -1.31 -0.01 0.00 -1.41 0.00 0.00 57.07 54.29 1win s TYR 123 Cb -0.15 -0.75 -0.02 0.00 -1.10 0.00 0.00 41.96 39.94 1win s TYR 123 CO -0.04 -0.51 -0.07 0.34 -2.51 0.00 0.00 175.55 172.76 1win s ASP 124 N -3.26 4.53 0.34 -0.18 -1.08 -1.26 0.57 116.67 116.32 1win s ASP 124 Ca 0.38 -0.15 0.24 0.00 -0.52 0.00 0.00 52.55 52.51 1win s ASP 124 Cb 0.07 -1.53 0.52 0.00 -1.46 0.00 0.00 42.92 40.52 1win s ASP 124 CO 0.14 0.23 1.66 0.50 0.52 0.00 0.00 175.17 178.22 1win h LYS 125 N 6.23 0.00 -0.10 4.34 3.64 -1.93 -3.10 116.57 125.64 1win h LYS 125 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1win h LYS 125 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1win h LYS 125 CO 0.58 0.00 0.00 1.33 -2.27 0.00 0.00 179.45 179.09 1win n VAL 126 N -2.73 0.11 -4.03 2.00 0.24 -1.26 -4.96 118.33 107.70 1win n VAL 126 Ca 0.05 -0.41 -0.33 0.00 -2.04 0.00 0.00 64.34 61.60 1win n VAL 126 Cb 0.49 0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 33.67 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 0.73 -1.83 -0.05 -1.34 9.92 -1.17 -4.89 116.55 117.92 1win n ASP 127 Ca 0.17 -1.15 -0.19 0.00 -0.53 0.00 0.00 54.79 53.09 1win n ASP 127 Cb 0.46 -2.38 -0.13 0.00 -0.64 0.00 0.00 41.12 38.42 1win n ASP 127 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1win h TYR 128 N -2.04 0.16 -0.19 1.24 3.20 -1.93 -3.29 116.97 114.12 1win h TYR 128 Ca -0.67 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.01 1win h TYR 128 Cb 1.39 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 1win h TYR 128 CO 0.44 1.31 -0.17 -0.07 -1.64 0.00 0.00 178.16 178.03 1win h LEU 129 N -0.78 0.48 -0.68 2.82 3.38 -1.96 -3.20 115.31 115.38 1win h LEU 129 Ca -0.19 -0.47 0.15 0.00 0.09 0.00 0.00 57.88 57.46 1win h LEU 129 Cb 1.33 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 1win h LEU 129 CO -0.04 0.85 0.05 0.28 0.09 0.00 0.00 178.44 179.68 1win h SER 130 N 0.12 -0.20 -0.75 -0.43 0.02 -1.93 0.16 113.55 110.54 1win h SER 130 Ca 0.03 0.16 0.16 0.00 -0.84 0.00 0.00 61.79 61.31 1win h SER 130 Cb 0.71 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.40 1win h SER 130 CO 0.04 -0.11 0.20 0.28 -1.14 0.00 0.00 176.83 176.11 1win h SER 131 N 0.16 0.05 -0.68 3.07 0.02 -1.62 0.34 113.55 114.90 1win h SER 131 Ca 0.37 0.14 0.14 0.00 -0.84 0.00 0.00 61.79 61.60 1win h SER 131 Cb 0.62 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 1win h SER 131 CO -0.55 -0.03 0.46 -0.07 -1.14 0.00 0.00 176.83 175.50 1win h LEU 132 N 0.29 0.32 0.00 5.07 3.38 -1.03 -3.45 115.31 119.88 1win h LEU 132 Ca 0.43 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1win h LEU 132 Cb 0.73 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1win h LEU 132 CO -0.50 0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.81 1win n GLY 133 N -1.54 0.59 2.12 0.83 0.00 0.12 -5.06 105.19 102.24 1win n GLY 133 Ca 0.12 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 3.50 -3.62 1.61 4.76 -1.19 -4.96 118.16 118.26 1win n LYS 134 Ca 0.00 -4.13 -0.06 0.00 -2.87 0.00 0.00 58.31 51.25 1win n LYS 134 Cb 0.00 -2.28 -0.07 0.00 -1.84 0.00 0.00 35.03 30.84 1win n LYS 134 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1win s THR 135 N -4.75 -0.78 0.15 -0.18 2.01 -1.26 -4.95 115.64 105.88 1win s THR 135 Ca 0.52 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 1win s THR 135 Cb 0.42 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 72.15 1win s THR 135 CO -0.00 0.04 1.74 -0.61 -0.69 0.00 0.00 174.62 175.09 1win h GLN 136 N 8.11 0.21 -5.16 4.92 4.15 -2.02 -3.43 115.11 121.89 1win h GLN 136 Ca -0.17 -0.01 -0.71 0.00 0.77 0.00 0.00 58.65 58.52 1win h GLN 136 Cb 1.11 -0.05 0.03 0.00 0.21 0.00 0.00 27.48 28.78 1win h GLN 136 CO 0.13 0.14 0.30 2.41 -1.93 0.00 0.00 178.83 179.87 1win n THR 137 N -5.06 0.00 -3.63 2.39 -1.04 -1.26 -4.94 114.28 100.74 1win n THR 137 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.90 1win n THR 137 Cb 0.14 -0.20 -0.07 0.00 -1.82 0.00 0.00 70.33 68.38 1win n THR 137 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1win s SER 138 N 1.17 -0.79 0.00 8.00 1.04 -1.26 -5.13 113.70 116.73 1win s SER 138 Ca 0.84 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1win s SER 138 Cb -1.18 1.44 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1win s SER 138 CO 0.59 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1win n GLY 139 N 3.05 0.75 3.66 7.32 0.00 -1.26 -5.09 105.19 113.62 1win n GLY 139 Ca -0.15 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.83 0.07 0.18 1.61 0.04 -1.26 -4.94 135.00 129.88 1win s PRO 140 Ca 0.00 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.24 1win s PRO 140 Cb 0.00 -1.71 0.13 0.00 0.04 0.00 0.00 34.50 32.96 1win s PRO 140 CO 0.00 -2.95 1.60 1.03 0.04 0.00 0.00 177.00 176.72 1win h SER 141 N -2.05 -0.96 -4.06 6.66 0.87 -2.07 -3.40 113.55 108.54 1win h SER 141 Ca -0.54 0.20 -0.53 0.00 -1.23 0.00 0.00 61.79 59.70 1win h SER 141 Cb 1.33 0.49 0.10 0.00 -0.44 0.00 0.00 62.40 63.89 1win h SER 141 CO 0.54 -0.28 0.50 -0.94 -0.53 0.00 0.00 176.83 176.12 1win s SER 142 N -5.15 5.48 0.00 6.23 1.04 -1.26 -5.20 113.70 114.85 1win s SER 142 Ca -0.14 2.42 0.24 0.00 0.48 0.00 0.00 55.95 58.95 1win s SER 142 Cb 0.16 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.86 1win s SER 142 CO 0.70 -1.40 1.26 0.61 0.98 0.00 0.00 173.24 175.39