#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 6.80 0.24 1.61 0.15 -1.26 -5.07 113.70 116.17 1win s SER 2 Ca 0.00 1.23 -0.21 0.00 0.70 0.00 0.00 55.95 57.68 1win s SER 2 Cb 0.00 -2.35 0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1win s SER 2 CO 0.00 -0.13 0.96 -0.94 1.20 0.00 0.00 173.24 174.33 1win s SER 3 N -2.16 -0.02 0.00 5.45 1.04 -1.26 -5.18 113.70 111.57 1win s SER 3 Ca 0.51 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1win s SER 3 Cb -0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1win s SER 3 CO 0.19 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1win n GLY 4 N -0.63 2.39 2.88 7.32 0.00 -1.26 -5.14 105.19 110.76 1win n GLY 4 Ca -0.05 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1win n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1win s SER 5 N 0.00 3.59 0.05 1.61 1.04 -1.26 -5.00 113.70 113.73 1win s SER 5 Ca 0.00 -1.08 -0.19 0.00 0.48 0.00 0.00 55.95 55.17 1win s SER 5 Cb 0.00 -1.02 -0.14 0.00 0.10 0.00 0.00 66.02 64.96 1win s SER 5 CO 0.00 -0.25 1.33 0.77 0.98 0.00 0.00 173.24 176.06 1win h SER 6 N 8.03 0.50 0.00 7.02 4.64 -2.07 -3.46 113.55 128.22 1win h SER 6 Ca -0.17 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1win h SER 6 Cb 1.08 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1win h SER 6 CO 0.39 0.92 0.00 0.61 -0.87 0.00 0.00 176.83 177.88 1win n GLY 7 N 0.31 0.65 3.01 -0.77 0.00 -1.26 -4.89 105.19 102.24 1win n GLY 7 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.05 -1.15 1.61 1.13 -1.26 -4.90 117.38 107.76 1win n GLN 8 Ca 0.00 0.85 -0.37 0.00 -1.94 0.00 0.00 57.00 55.54 1win n GLN 8 Cb 0.00 -5.63 0.02 0.00 0.11 0.00 0.00 30.24 24.74 1win n GLN 8 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1win n ARG 9 N -3.97 0.00 -1.08 -1.09 0.00 -1.26 -4.68 116.66 104.58 1win n ARG 9 Ca -0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.39 1win n ARG 9 Cb 0.61 -0.98 -0.02 0.00 -0.00 0.00 0.00 32.46 32.07 1win n ARG 9 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1win n ILE 10 N -1.77 1.31 -3.68 8.89 3.06 -1.26 -4.97 119.36 120.94 1win n ILE 10 Ca 0.05 -0.39 -0.10 0.00 -2.50 0.00 0.00 62.75 59.81 1win n ILE 10 Cb 0.49 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.57 1win n ILE 10 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1win s SER 11 N -0.78 -0.55 -0.44 9.51 1.04 -1.26 -5.11 113.70 116.11 1win s SER 11 Ca 0.49 0.99 -0.27 0.00 0.48 0.00 0.00 55.95 57.65 1win s SER 11 Cb -0.67 0.95 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1win s SER 11 CO 0.45 -0.20 2.07 -0.22 0.98 0.00 0.00 173.24 176.31 1win s LEU 12 N 1.61 3.40 0.14 2.42 0.20 -1.26 -4.92 118.68 120.27 1win s LEU 12 Ca -0.09 1.05 -0.05 0.00 0.69 0.00 0.00 54.13 55.74 1win s LEU 12 Cb -0.08 -2.93 -0.02 0.00 -0.43 0.00 0.00 46.19 42.72 1win s LEU 12 CO -0.14 -2.29 0.16 -1.83 -0.29 0.00 0.00 176.35 171.96 1win s GLU 13 N 6.95 1.01 -0.22 1.98 -1.05 -1.26 -5.08 118.70 121.02 1win s GLU 13 Ca 0.85 -1.28 -0.22 0.00 -0.15 0.00 0.00 54.97 54.17 1win s GLU 13 Cb -0.20 0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.78 1win s GLU 13 CO 0.28 -0.32 0.70 0.42 0.95 0.00 0.00 175.26 177.28 1win s ILE 14 N -3.99 4.95 -0.21 1.83 1.01 -1.26 -3.99 121.20 119.54 1win s ILE 14 Ca 0.19 1.31 -0.10 0.00 0.00 0.00 0.00 60.65 62.05 1win s ILE 14 Cb 0.05 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1win s ILE 14 CO -0.01 0.04 0.13 -0.04 0.00 0.00 0.00 174.94 175.06 1win s MET 15 N 2.31 4.15 -0.51 2.79 -1.94 0.22 -4.98 119.30 121.34 1win s MET 15 Ca 0.31 -0.24 -0.22 0.00 -1.71 0.00 0.00 55.69 53.83 1win s MET 15 Cb -0.16 -3.42 0.04 0.00 2.01 0.00 0.00 34.83 33.30 1win s MET 15 CO 0.09 0.25 0.77 0.99 -0.01 0.00 0.00 175.02 177.11 1win s THR 16 N 0.49 4.66 -0.21 2.05 2.01 -1.26 -1.03 115.64 122.35 1win s THR 16 Ca 0.08 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1win s THR 16 Cb -0.12 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 68.02 1win s THR 16 CO -0.01 -0.89 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.17 1win s LEU 17 N 3.23 2.66 -0.52 4.42 1.02 -1.03 -4.98 118.68 123.49 1win s LEU 17 Ca 0.23 -0.56 -0.07 0.00 0.02 0.00 0.00 54.13 53.75 1win s LEU 17 Cb -0.15 -1.63 0.13 0.00 0.02 0.00 0.00 46.19 44.56 1win s LEU 17 CO 0.17 -0.03 0.37 0.00 0.02 0.00 0.00 176.35 176.88 1win s GLN 18 N 1.39 2.50 -0.29 1.70 0.00 -1.26 -2.74 119.66 120.95 1win s GLN 18 Ca 0.05 -1.96 -0.29 0.00 -0.00 0.00 0.00 55.36 53.16 1win s GLN 18 Cb -0.14 -3.87 -0.02 0.00 0.00 0.00 0.00 33.01 28.98 1win s GLN 18 CO -0.07 -1.18 1.66 -1.25 0.00 0.00 0.00 175.29 174.45 1win s PRO 19 N 0.98 3.57 0.17 9.60 0.04 -1.25 -4.88 135.00 143.23 1win s PRO 19 Ca 0.09 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.67 1win s PRO 19 Cb -0.23 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 1win s PRO 19 CO -0.02 -1.57 -0.10 0.50 0.04 0.00 0.00 177.00 175.85 1win s ARG 20 N 5.11 2.06 -0.02 4.56 3.52 -1.01 -3.91 118.95 129.27 1win s ARG 20 Ca 0.73 -1.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1win s ARG 20 Cb -0.22 -2.18 0.03 0.00 -1.56 0.00 0.00 34.95 31.02 1win s ARG 20 CO 0.32 0.45 0.01 0.00 -0.81 0.00 0.00 175.30 175.27 1win s GLU 22 N 0.95 1.38 -1.51 0.00 2.02 -1.26 -1.99 118.70 118.29 1win s GLU 22 Ca -0.09 -1.63 -0.05 0.00 0.02 0.00 0.00 54.97 53.22 1win s GLU 22 Cb -0.12 -1.15 0.04 0.00 0.10 0.00 0.00 34.13 33.00 1win s GLU 22 CO -0.02 0.16 0.46 -0.40 0.02 0.00 0.00 175.26 175.48 1win n ASP 23 N -0.43 -0.94 -4.16 -0.19 5.68 -1.25 -4.94 116.55 110.32 1win n ASP 23 Ca -0.07 -1.05 -0.33 0.00 -0.50 0.00 0.00 54.79 52.83 1win n ASP 23 Cb 0.61 -2.75 -0.15 0.00 -1.14 0.00 0.00 41.12 37.68 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1win s VAL 24 N -3.84 2.35 0.48 2.12 -7.23 -1.23 -4.94 120.40 108.11 1win s VAL 24 Ca 0.21 -0.90 -0.18 0.00 -1.81 0.00 0.00 61.98 59.30 1win s VAL 24 Cb -0.11 -2.04 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 1win s VAL 24 CO 0.92 0.47 0.97 -1.61 -0.31 0.00 0.00 175.10 175.54 1win s GLU 25 N 1.32 4.06 0.53 4.82 0.41 -1.26 -0.28 118.70 128.30 1win s GLU 25 Ca 0.04 1.02 0.09 0.00 -0.41 0.00 0.00 54.97 55.71 1win s GLU 25 Cb -0.14 -2.16 0.06 0.00 -1.78 0.00 0.00 34.13 30.12 1win s GLU 25 CO -0.10 -0.17 0.70 0.95 -0.49 0.00 0.00 175.26 176.15 1win s THR 26 N -2.44 2.35 0.30 3.63 -4.23 -0.70 -4.33 115.64 110.22 1win s THR 26 Ca 0.60 -1.04 0.18 0.00 -1.18 0.00 0.00 61.69 60.25 1win s THR 26 Cb -0.10 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.65 1win s THR 26 CO 0.24 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.59 1win n ALA 27 N -2.09 0.85 0.03 3.99 0.00 0.53 0.21 120.51 124.04 1win n ALA 27 Ca 0.12 0.81 -0.19 0.00 0.00 0.00 0.00 53.44 54.18 1win n ALA 27 Cb 0.61 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 1win n ALA 27 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1win h GLU 28 N 0.00 0.57 0.00 0.00 4.39 -1.88 -3.48 114.58 114.18 1win h GLU 28 Ca 0.69 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1win h GLU 28 Cb 1.85 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1win h GLU 28 CO -0.60 1.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.91 1win n GLY 29 N 1.13 1.24 3.63 -3.84 0.00 0.57 -5.12 105.19 102.81 1win n GLY 29 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.54 5.11 -0.11 1.61 1.01 -1.26 -4.58 120.40 120.65 1win s VAL 30 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 1win s VAL 30 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1win s VAL 30 CO 0.00 0.14 1.53 0.00 0.00 0.00 0.00 175.10 176.77 1win s ALA 31 N 1.98 3.59 0.25 5.51 0.00 -1.26 -1.73 121.76 130.11 1win s ALA 31 Ca 0.21 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.00 1win s ALA 31 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1win s ALA 31 CO 0.09 -1.40 -0.08 -0.51 0.00 0.00 0.00 175.76 173.86 1win s LEU 32 N 4.02 2.96 -0.31 0.00 2.01 0.61 -4.10 118.68 123.87 1win s LEU 32 Ca 0.67 -0.75 0.03 0.00 0.01 0.00 0.00 54.13 54.09 1win s LEU 32 Cb -0.29 -1.51 0.08 0.00 0.01 0.00 0.00 46.19 44.49 1win s LEU 32 CO 0.25 0.03 -0.01 -0.89 1.01 0.00 0.00 176.35 176.74 1win s THR 33 N -2.26 2.13 -0.15 5.49 2.01 0.16 -3.57 115.64 119.45 1win s THR 33 Ca 0.30 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.30 1win s THR 33 Cb -0.06 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 1win s THR 33 CO 0.17 -0.38 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.88 1win s VAL 34 N 1.03 2.76 -0.13 3.82 1.01 -0.84 -0.64 120.40 127.42 1win s VAL 34 Ca 0.03 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1win s VAL 34 Cb -0.19 -2.16 -0.15 0.00 0.00 0.00 0.00 36.38 33.87 1win s VAL 34 CO -0.08 0.52 0.44 0.74 0.00 0.00 0.00 175.10 176.72 1win h THR 35 N 5.61 1.04 -2.76 3.92 2.02 -1.29 0.14 112.91 121.59 1win h THR 35 Ca -0.31 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1win h THR 35 Cb 1.20 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1win h THR 35 CO 0.56 0.35 -0.70 0.61 0.37 0.00 0.00 175.52 176.72 1win n GLY 36 N 1.67 -3.93 3.14 2.16 0.00 -1.25 -2.40 105.19 104.57 1win n GLY 36 Ca -0.06 -0.91 -0.11 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 -4.27 -0.25 0.05 1.61 1.01 0.75 -3.97 120.40 115.32 1win s VAL 37 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1win s VAL 37 Cb 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1win s VAL 37 CO 0.00 0.07 0.16 0.00 0.00 0.00 0.00 175.10 175.33 1win s ALA 38 N 1.86 -0.24 -0.09 5.51 0.00 -1.11 0.29 121.76 127.98 1win s ALA 38 Ca -0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 1win s ALA 38 Cb -0.11 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1win s ALA 38 CO -0.10 -0.37 -0.04 -1.14 0.00 0.00 0.00 175.76 174.11 1win s GLN 39 N -2.79 3.04 0.08 0.00 2.00 -0.94 -2.46 119.66 118.59 1win s GLN 39 Ca -0.03 -0.49 0.02 0.00 -2.00 0.00 0.00 55.36 52.85 1win s GLN 39 Cb -0.00 -2.73 -0.04 0.00 0.80 0.00 0.00 33.01 31.04 1win s GLN 39 CO -0.05 0.58 -0.06 0.54 -0.50 0.00 0.00 175.29 175.79 1win s VAL 40 N -0.56 0.60 0.06 1.34 0.11 -0.20 -0.91 120.40 120.85 1win s VAL 40 Ca 0.09 -1.74 -0.15 0.00 -2.93 0.00 0.00 61.98 57.25 1win s VAL 40 Cb -0.12 -1.43 0.03 0.00 -1.53 0.00 0.00 36.38 33.33 1win s VAL 40 CO 0.02 -0.78 0.35 -1.59 -3.33 0.00 0.00 175.10 169.76 1win s LYS 41 N -3.36 0.90 0.03 1.54 -2.85 -1.07 0.72 119.74 115.65 1win s LYS 41 Ca 0.07 -0.54 -0.22 0.00 -1.00 0.00 0.00 55.97 54.27 1win s LYS 41 Cb 0.02 0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 36.13 1win s LYS 41 CO -0.04 -0.31 0.66 0.42 0.10 0.00 0.00 175.35 176.18 1win s ILE 42 N -2.89 4.80 0.79 3.79 1.01 -1.26 -2.31 121.20 125.13 1win s ILE 42 Ca -0.03 1.39 -0.05 0.00 0.00 0.00 0.00 60.65 61.96 1win s ILE 42 Cb 0.00 -4.00 0.15 0.00 0.01 0.00 0.00 42.46 38.62 1win s ILE 42 CO -0.05 0.42 1.09 -0.04 0.00 0.00 0.00 174.94 176.36 1win s MET 43 N -0.32 1.38 0.31 2.79 -1.94 -1.03 -4.79 119.30 115.70 1win s MET 43 Ca 0.33 -0.89 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1win s MET 43 Cb -0.19 -2.18 -0.02 0.00 2.01 0.00 0.00 34.83 34.44 1win s MET 43 CO 0.20 -1.73 0.28 0.25 -0.01 0.00 0.00 175.02 174.01 1win n THR 44 N -3.11 0.00 -3.82 2.05 -2.24 -1.26 -5.00 114.28 100.89 1win n THR 44 Ca 0.15 -2.17 -0.13 0.00 -2.27 0.00 0.00 64.05 59.63 1win n THR 44 Cb 0.60 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.79 1win n THR 44 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1win s GLU 45 N -3.19 -0.01 0.00 -0.78 0.41 -1.26 -5.00 118.70 108.87 1win s GLU 45 Ca 0.36 0.10 0.15 0.00 -0.41 0.00 0.00 54.97 55.16 1win s GLU 45 Cb 0.02 -0.11 0.78 0.00 -1.78 0.00 0.00 34.13 33.04 1win s GLU 45 CO 0.25 -0.08 1.38 1.63 -0.49 0.00 0.00 175.26 177.96 1win n LYS 46 N 3.58 0.28 0.06 1.61 5.02 -1.26 -3.91 118.16 123.55 1win n LYS 46 Ca -0.19 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1win n LYS 46 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1win n LYS 46 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1win n GLU 47 N -1.21 0.00 -3.54 1.97 1.02 -1.26 -5.13 120.64 112.49 1win n GLU 47 Ca 0.08 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.05 1win n GLU 47 Cb 0.10 -0.40 -0.06 0.00 -0.02 0.00 0.00 31.44 31.06 1win n GLU 47 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1win s LEU 48 N -6.88 -0.56 -0.05 -4.62 1.43 -1.25 -5.05 118.68 101.71 1win s LEU 48 Ca 0.00 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.87 1win s LEU 48 Cb 0.00 2.45 0.10 0.00 0.03 0.00 0.00 46.19 48.77 1win s LEU 48 CO 0.00 -0.59 1.01 -0.11 0.23 0.00 0.00 176.35 176.89 1win n LEU 49 N 0.99 0.94 -0.53 1.79 -0.00 -1.26 -4.49 117.00 114.44 1win n LEU 49 Ca -0.19 -1.71 0.43 0.00 -0.00 0.00 0.00 56.01 54.54 1win n LEU 49 Cb 0.57 -0.15 0.73 0.00 -0.00 0.00 0.00 43.42 44.56 1win n LEU 49 CO 0.23 0.41 1.34 0.00 -0.00 0.00 0.00 177.39 179.36 1win h ALA 50 N 0.00 3.19 -0.93 1.96 0.00 -1.96 0.50 119.26 122.02 1win h ALA 50 Ca 0.00 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.20 1win h ALA 50 Cb 1.17 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 1win h ALA 50 CO 0.00 -1.78 0.42 -0.24 0.00 0.00 0.00 179.25 177.65 1win h VAL 51 N 0.04 0.41 0.00 0.00 3.04 -1.93 0.14 116.25 117.96 1win h VAL 51 Ca 0.85 -0.13 -0.23 0.00 -1.01 0.00 0.00 66.70 66.18 1win h VAL 51 Cb 3.02 0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 32.26 1win h VAL 51 CO -0.25 0.07 -1.89 0.00 -1.01 0.00 0.00 177.57 174.49 1win n ALA 52 N -2.47 1.67 -0.07 3.17 0.00 0.15 -4.08 120.51 118.87 1win n ALA 52 Ca 0.25 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 1win n ALA 52 Cb 0.74 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.26 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 -4.99 0.06 0.07 0.00 -0.58 0.49 0.04 120.64 115.73 1win n GLU 54 Ca -0.01 0.09 0.12 0.00 -0.42 0.00 0.00 57.16 56.93 1win n GLU 54 Cb 0.07 -1.57 0.07 0.00 -0.57 0.00 0.00 31.44 29.44 1win n GLU 54 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1win n GLN 55 N -1.67 0.42 -0.03 3.49 7.27 -0.52 -4.44 117.38 121.89 1win n GLN 55 Ca 0.06 0.08 -0.05 0.00 0.07 0.00 0.00 57.00 57.16 1win n GLN 55 Cb 0.33 -1.72 -0.03 0.00 2.41 0.00 0.00 30.24 31.24 1win n GLN 55 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1win n PHE 56 N -2.30 0.00 -1.35 3.69 3.72 -0.19 -4.99 117.46 116.04 1win n PHE 56 Ca 0.02 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 56.89 1win n PHE 56 Cb 0.48 -0.22 -0.13 0.00 -0.94 0.00 0.00 39.48 38.67 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 -2.85 0.69 0.00 4.37 4.77 0.11 -1.67 117.00 122.42 1win n LEU 57 Ca -0.11 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1win n LEU 57 Cb 0.60 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1win n LEU 57 CO 0.04 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 175.95 1win n GLY 58 N 7.10 4.57 2.87 -0.72 0.00 -1.26 -4.93 105.19 112.82 1win n GLY 58 Ca 0.58 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 1win n GLY 58 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1win n LYS 59 N 0.00 0.05 -3.94 1.61 2.85 -0.67 -5.10 118.16 112.96 1win n LYS 59 Ca 0.00 -2.00 -0.30 0.00 -1.05 0.00 0.00 58.31 54.96 1win n LYS 59 Cb 0.00 -0.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.84 1win n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1win s ASN 60 N -4.02 6.29 0.23 -5.58 -0.87 -1.26 -4.98 114.94 104.74 1win s ASN 60 Ca 0.49 0.22 -0.14 0.00 -1.57 0.00 0.00 52.86 51.87 1win s ASN 60 Cb -0.03 -1.91 0.28 0.00 -0.02 0.00 0.00 41.25 39.57 1win s ASN 60 CO 0.33 0.14 1.45 1.33 -2.57 0.00 0.00 177.10 177.77 1win n VAL 61 N 0.11 -0.46 -0.34 1.60 0.24 -1.26 0.16 118.33 118.37 1win n VAL 61 Ca -0.06 2.17 0.20 0.00 -2.04 0.00 0.00 64.34 64.61 1win n VAL 61 Cb 0.52 -2.90 0.43 0.00 -1.47 0.00 0.00 33.84 30.42 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 -0.48 7.34 3.07 -2.01 0.15 115.11 123.67 1win h GLN 62 Ca 0.36 -0.03 0.01 0.00 0.09 0.00 0.00 58.65 59.08 1win h GLN 62 Cb 0.59 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 28.01 1win h GLN 62 CO -0.93 0.32 0.31 0.22 0.09 0.00 0.00 178.83 178.84 1win h ASP 63 N 0.50 0.53 0.68 0.06 1.82 0.12 -2.86 116.42 117.28 1win h ASP 63 Ca 0.64 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 57.24 1win h ASP 63 Cb 1.36 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 41.24 1win h ASP 63 CO -0.42 0.38 -0.41 0.40 -1.61 0.00 0.00 179.24 177.58 1win h ILE 64 N 0.64 0.17 -0.96 2.25 5.03 -0.51 -2.68 117.51 121.45 1win h ILE 64 Ca 0.18 0.00 0.27 0.00 -0.12 0.00 0.00 64.86 65.19 1win h ILE 64 Cb -0.06 0.17 -0.17 0.00 -3.03 0.00 0.00 36.82 33.73 1win h ILE 64 CO -0.05 0.00 0.09 0.11 -0.68 0.00 0.00 178.15 177.63 1win h LYS 65 N -1.03 0.04 0.48 2.37 6.56 -1.38 -0.62 116.57 123.00 1win h LYS 65 Ca -0.09 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 1win h LYS 65 Cb 0.83 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.47 1win h LYS 65 CO 0.10 0.03 -0.34 -0.91 -2.06 0.00 0.00 179.45 176.26 1win h ASN 66 N 0.04 -0.89 -0.94 0.86 2.35 -1.26 0.15 115.58 115.90 1win h ASN 66 Ca 0.60 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 56.50 1win h ASN 66 Cb 1.25 0.27 -0.12 0.00 0.05 0.00 0.00 38.32 39.77 1win h ASN 66 CO -0.85 -0.50 -0.57 0.58 -1.65 0.00 0.00 177.43 174.44 1win h VAL 67 N -0.78 0.00 -0.62 2.81 2.07 -0.82 0.29 116.25 119.20 1win h VAL 67 Ca -0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1win h VAL 67 Cb 0.64 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1win h VAL 67 CO 0.04 0.00 0.34 0.58 0.02 0.00 0.00 177.57 178.55 1win h VAL 68 N -0.04 0.97 -0.92 2.57 2.07 -1.34 -1.90 116.25 117.66 1win h VAL 68 Ca 0.17 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1win h VAL 68 Cb 0.45 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 1win h VAL 68 CO -0.91 0.12 0.56 0.25 0.02 0.00 0.00 177.57 177.61 1win h LEU 69 N 0.64 0.83 -1.42 2.57 5.85 0.24 -0.50 115.31 123.52 1win h LEU 69 Ca 0.28 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1win h LEU 69 Cb 0.16 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1win h LEU 69 CO -0.17 0.47 0.41 1.56 -0.34 0.00 0.00 178.44 180.37 1win h GLN 70 N 0.93 0.75 0.85 1.25 4.20 0.08 0.30 115.11 123.48 1win h GLN 70 Ca 0.44 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 59.06 1win h GLN 70 Cb 0.38 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1win h GLN 70 CO -0.24 0.50 -0.41 1.15 -0.67 0.00 0.00 178.83 179.16 1win h THR 71 N 0.78 0.00 -0.47 -0.54 2.02 -0.91 0.31 112.91 114.10 1win h THR 71 Ca 0.24 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1win h THR 71 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1win h THR 71 CO -0.06 0.00 0.20 -0.07 0.37 0.00 0.00 175.52 175.96 1win h LEU 72 N -1.31 0.63 0.25 2.58 3.38 -1.36 -2.80 115.31 116.69 1win h LEU 72 Ca -0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1win h LEU 72 Cb 0.88 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1win h LEU 72 CO 0.19 0.61 -0.12 -0.33 0.09 0.00 0.00 178.44 178.89 1win h GLU 73 N 0.61 -0.33 -0.96 1.13 5.08 -0.43 -1.23 114.58 118.46 1win h GLU 73 Ca 0.16 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.76 1win h GLU 73 Cb 0.17 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.37 1win h GLU 73 CO -0.02 -0.20 0.53 0.78 -1.00 0.00 0.00 179.01 179.10 1win h GLY 74 N -0.36 1.75 0.49 -3.84 0.00 -0.29 -1.79 103.07 99.03 1win h GLY 74 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1win h GLY 74 CO 0.06 -0.22 -0.05 0.45 0.00 0.00 0.00 176.54 176.78 1win h HIS 75 N 0.55 -0.13 -0.77 5.60 3.86 -1.22 -2.98 115.15 120.06 1win h HIS 75 Ca 0.60 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.94 1win h HIS 75 Cb 1.10 0.04 -0.13 0.00 1.06 0.00 0.00 27.41 29.48 1win h HIS 75 CO -0.05 0.33 -0.27 -0.11 0.86 0.00 0.00 177.93 178.69 1win n LEU 76 N -4.92 -0.44 -0.22 2.43 7.94 -0.49 0.20 117.00 121.51 1win n LEU 76 Ca -0.08 1.34 -0.08 0.00 -1.11 0.00 0.00 56.01 56.08 1win n LEU 76 Cb 0.26 -0.33 0.05 0.00 0.53 0.00 0.00 43.42 43.93 1win n LEU 76 CO 0.31 -1.22 0.88 -0.09 -1.11 0.00 0.00 177.39 176.15 1win h ARG 77 N 0.00 1.07 -0.33 1.96 1.12 -1.57 -1.16 114.38 115.46 1win h ARG 77 Ca 0.30 -0.30 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1win h ARG 77 Cb 0.49 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 1win h ARG 77 CO -0.77 1.00 0.22 0.66 -3.11 0.00 0.00 179.97 177.96 1win h SER 78 N 1.00 0.39 -0.26 -3.80 4.64 0.25 -0.23 113.55 115.54 1win h SER 78 Ca 0.19 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1win h SER 78 Cb 0.47 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1win h SER 78 CO 0.02 0.30 -0.03 0.40 -0.87 0.00 0.00 176.83 176.65 1win h ILE 79 N 0.45 1.27 -0.18 0.95 1.08 -0.38 -3.18 117.51 117.52 1win h ILE 79 Ca 0.12 -0.99 0.03 0.00 -0.39 0.00 0.00 64.86 63.63 1win h ILE 79 Cb -0.03 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1win h ILE 79 CO -0.03 0.31 0.00 0.25 -0.69 0.00 0.00 178.15 178.00 1win h LEU 80 N 0.24 -0.07 -0.73 1.44 6.46 -1.04 -1.31 115.31 120.32 1win h LEU 80 Ca 0.07 0.04 0.14 0.00 -0.12 0.00 0.00 57.88 58.01 1win h LEU 80 Cb 0.47 0.07 -0.14 0.00 -0.73 0.00 0.00 40.66 40.33 1win h LEU 80 CO 0.02 -0.01 -0.23 1.23 -0.62 0.00 0.00 178.44 178.83 1win h GLY 81 N 0.06 0.38 2.00 3.75 0.00 -1.02 0.84 103.07 109.08 1win h GLY 81 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1win h GLY 81 CO -0.14 -0.27 0.00 -0.37 0.00 0.00 0.00 176.54 175.76 1win n THR 82 N -5.48 0.65 -3.57 4.70 5.66 -1.05 0.20 114.28 115.40 1win n THR 82 Ca 0.09 -0.02 -0.37 0.00 -3.05 0.00 0.00 64.05 60.69 1win n THR 82 Cb 0.38 -0.83 -0.09 0.00 -1.55 0.00 0.00 70.33 68.24 1win n THR 82 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1win s LEU 83 N -4.25 4.10 0.36 1.09 2.96 0.29 -4.71 118.68 118.53 1win s LEU 83 Ca 0.08 0.19 -0.28 0.00 -0.22 0.00 0.00 54.13 53.91 1win s LEU 83 Cb 0.12 -2.22 -0.10 0.00 0.50 0.00 0.00 46.19 44.49 1win s LEU 83 CO 0.49 -0.01 1.32 0.42 -1.32 0.00 0.00 176.35 177.25 1win s THR 84 N 1.33 2.62 0.34 3.68 -4.23 -1.26 -3.63 115.64 114.49 1win s THR 84 Ca 0.10 0.60 0.14 0.00 -1.18 0.00 0.00 61.69 61.35 1win s THR 84 Cb -0.14 -3.37 0.33 0.00 1.34 0.00 0.00 72.50 70.66 1win s THR 84 CO 0.07 0.12 1.68 1.62 -0.54 0.00 0.00 174.62 177.57 1win h VAL 85 N 2.81 0.36 -0.71 2.29 3.04 -1.92 0.72 116.25 122.85 1win h VAL 85 Ca -0.49 -0.13 0.07 0.00 -1.01 0.00 0.00 66.70 65.13 1win h VAL 85 Cb 1.23 -0.06 -0.04 0.00 -2.01 0.00 0.00 31.29 30.41 1win h VAL 85 CO 0.64 0.07 0.47 -0.33 -1.01 0.00 0.00 177.57 177.41 1win h GLU 86 N 0.38 0.71 0.20 4.17 4.39 -2.00 -2.65 114.58 119.78 1win h GLU 86 Ca 0.71 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.36 1win h GLU 86 Cb 1.59 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1win h GLU 86 CO -0.55 0.47 -0.10 1.96 -1.16 0.00 0.00 179.01 179.63 1win h GLN 87 N 0.73 -0.26 -0.85 2.33 4.20 0.11 -0.44 115.11 120.92 1win h GLN 87 Ca 0.31 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.24 1win h GLN 87 Cb 0.27 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 27.96 1win h GLN 87 CO -0.10 0.10 -0.02 0.82 -0.67 0.00 0.00 178.83 178.96 1win h ILE 88 N -0.68 0.21 0.11 2.54 5.03 -1.17 -0.45 117.51 123.09 1win h ILE 88 Ca -0.03 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1win h ILE 88 Cb 0.48 0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.41 1win h ILE 88 CO 0.05 0.01 -0.05 1.88 -0.68 0.00 0.00 178.15 179.36 1win h TYR 89 N 0.06 -0.13 -0.69 1.37 0.05 -1.51 -3.20 116.97 112.92 1win h TYR 89 Ca 0.47 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.32 1win h TYR 89 Cb 0.87 0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.56 1win h TYR 89 CO -0.49 0.36 -0.49 1.96 -1.05 0.00 0.00 178.16 178.46 1win h GLN 90 N -0.75 -0.10 -3.74 4.88 1.08 0.08 -3.36 115.11 113.20 1win h GLN 90 Ca -0.01 0.01 -0.55 0.00 -1.45 0.00 0.00 58.65 56.64 1win h GLN 90 Cb 0.56 0.02 -0.40 0.00 -0.05 0.00 0.00 27.48 27.61 1win h GLN 90 CO 0.02 -0.07 -0.77 -0.51 -0.95 0.00 0.00 178.83 176.56 1win s ASP 91 N -4.97 3.38 -0.14 1.46 1.01 -0.29 -5.01 116.67 112.10 1win s ASP 91 Ca -0.11 -1.08 -0.22 0.00 0.71 0.00 0.00 52.55 51.85 1win s ASP 91 Cb 0.09 -0.79 -0.19 0.00 1.01 0.00 0.00 42.92 43.03 1win s ASP 91 CO 0.52 -0.31 0.53 0.03 0.21 0.00 0.00 175.17 176.15 1win h ARG 92 N 8.14 0.00 -1.05 8.23 3.08 -1.71 -3.11 114.38 127.96 1win h ARG 92 Ca -0.16 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.16 1win h ARG 92 Cb 1.09 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.04 1win h ARG 92 CO 0.38 0.76 0.68 -0.44 -1.07 0.00 0.00 179.97 180.28 1win h ASP 93 N -1.00 0.42 -0.26 7.04 5.19 -1.95 0.24 116.42 126.10 1win h ASP 93 Ca -0.03 0.08 -0.18 0.00 -0.62 0.00 0.00 57.03 56.28 1win h ASP 93 Cb 0.80 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1win h ASP 93 CO -0.02 0.08 -0.52 -0.61 -3.12 0.00 0.00 179.24 175.05 1win h GLN 94 N 0.36 0.82 -0.38 3.56 -0.00 -1.97 -3.05 115.11 114.45 1win h GLN 94 Ca 0.59 -0.53 -0.05 0.00 -0.00 0.00 0.00 58.65 58.66 1win h GLN 94 Cb 1.56 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 29.08 1win h GLN 94 CO -0.28 1.16 0.01 0.35 0.00 0.00 0.00 178.83 180.07 1win h PHE 95 N 0.58 0.62 0.00 3.99 3.57 -0.52 -1.59 116.94 123.59 1win h PHE 95 Ca 0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1win h PHE 95 Cb 1.13 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1win h PHE 95 CO 0.08 0.60 0.00 0.00 -2.23 0.00 0.00 178.31 176.76 1win h ALA 96 N 1.44 1.00 0.00 2.41 0.00 -1.08 -3.18 119.26 119.85 1win h ALA 96 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1win h ALA 96 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1win h ALA 96 CO 0.01 0.00 -0.22 -0.22 0.00 0.00 0.00 179.25 178.82 1win h LYS 97 N 0.00 0.00 0.00 0.00 3.64 -1.18 -2.99 116.57 116.04 1win h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1win h LYS 97 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1win h LYS 97 CO 0.00 0.86 0.40 -0.07 -2.27 0.00 0.00 179.45 178.36 1win h LEU 98 N -1.00 0.00 0.00 5.20 4.07 -1.49 0.35 115.31 122.44 1win h LEU 98 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1win h LEU 98 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1win h LEU 98 CO -0.03 0.00 -0.22 0.58 -1.08 0.00 0.00 178.44 177.68 1win h VAL 99 N 0.00 0.00 -0.15 1.22 2.07 -1.63 -3.26 116.25 114.49 1win h VAL 99 Ca 0.00 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1win h VAL 99 Cb 0.79 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1win h VAL 99 CO 0.00 0.00 0.20 0.08 0.02 0.00 0.00 177.57 177.87 1win h ARG 100 N -0.45 0.00 -0.01 1.57 0.11 -1.29 0.20 114.38 114.50 1win h ARG 100 Ca 0.00 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 1win h ARG 100 Cb 0.22 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 1win h ARG 100 CO 0.00 0.00 -0.83 1.05 0.10 0.00 0.00 179.97 180.29 1win h GLU 101 N 0.00 0.20 0.00 0.08 4.11 -0.50 0.10 114.58 118.57 1win h GLU 101 Ca 0.07 -0.20 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 1win h GLU 101 Cb 0.47 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1win h GLU 101 CO -0.00 0.92 -1.06 -0.24 0.07 0.00 0.00 179.01 178.69 1win h VAL 102 N 0.12 0.21 0.00 -1.06 3.04 -0.90 -3.36 116.25 114.30 1win h VAL 102 Ca -0.04 -1.40 -0.28 0.00 -1.01 0.00 0.00 66.70 63.97 1win h VAL 102 Cb 1.43 1.76 -0.05 0.00 -2.01 0.00 0.00 31.29 32.42 1win h VAL 102 CO 0.13 0.12 -1.72 0.00 -1.01 0.00 0.00 177.57 175.09 1win n ALA 103 N -2.25 1.54 0.07 3.17 0.00 0.44 -4.02 120.51 119.46 1win n ALA 103 Ca -0.03 -0.78 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 1win n ALA 103 Cb 0.66 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 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 1.04 -0.94 0.00 0.00 0.00 -0.92 0.28 119.26 118.72 1win h ALA 104 Ca -0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1win h ALA 104 Cb 1.99 0.90 0.00 0.00 0.00 0.00 0.00 17.79 20.68 1win h ALA 104 CO 0.07 -1.08 0.00 -0.35 0.00 0.00 0.00 179.25 177.89 1win n PRO 105 N -5.25 0.40 -0.08 0.00 -0.04 -1.26 -2.83 135.00 125.94 1win n PRO 105 Ca -0.07 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.36 1win n PRO 105 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1win n PRO 105 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1win n ASP 106 N -1.09 1.87 -0.30 3.54 9.92 0.11 -4.46 116.55 126.14 1win n ASP 106 Ca 0.10 0.43 0.12 0.00 -0.53 0.00 0.00 54.79 54.91 1win n ASP 106 Cb 0.07 -0.78 0.36 0.00 -0.64 0.00 0.00 41.12 40.13 1win n ASP 106 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1win h VAL 107 N -0.99 0.80 -0.71 2.53 -1.51 -0.58 -2.16 116.25 113.64 1win h VAL 107 Ca 0.00 -0.25 0.14 0.00 -1.23 0.00 0.00 66.70 65.36 1win h VAL 107 Cb 0.83 0.01 -0.13 0.00 -2.13 0.00 0.00 31.29 29.87 1win h VAL 107 CO 0.00 0.13 -0.23 1.23 -1.23 0.00 0.00 177.57 177.47 1win h GLY 108 N 0.72 0.34 -0.18 5.19 0.00 -1.04 0.49 103.07 108.59 1win h GLY 108 Ca 0.49 0.31 0.13 0.00 0.00 0.00 0.00 47.33 48.25 1win h GLY 108 CO -0.25 -0.26 -0.10 3.21 0.00 0.00 0.00 176.54 179.14 1win h ARG 109 N -0.05 0.04 -0.28 4.80 3.08 -1.61 0.20 114.38 120.56 1win h ARG 109 Ca 0.32 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 1win h ARG 109 Cb 0.54 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1win h ARG 109 CO -0.75 0.02 -0.10 0.52 -1.07 0.00 0.00 179.97 178.60 1win h MET 110 N 0.04 0.47 0.00 0.04 2.86 -1.08 -3.47 114.93 113.79 1win h MET 110 Ca 0.31 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1win h MET 110 Cb 0.49 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1win h MET 110 CO -0.60 0.58 0.00 0.41 1.06 0.00 0.00 176.91 178.35 1win n GLY 111 N -0.71 0.40 3.86 8.32 0.00 0.70 -4.25 105.19 113.50 1win n GLY 111 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.37 5.27 -0.06 -0.61 -1.09 -0.75 -2.46 121.20 120.12 1win s ILE 112 Ca 0.00 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1win s ILE 112 Cb 0.00 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1win s ILE 112 CO 0.00 0.48 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.33 1win s GLU 113 N -1.43 1.97 0.29 2.79 2.56 -0.98 -1.31 118.70 122.59 1win s GLU 113 Ca 0.20 -0.58 -0.27 0.00 0.00 0.00 0.00 54.97 54.33 1win s GLU 113 Cb -0.12 -1.62 -0.09 0.00 2.00 0.00 0.00 34.13 34.29 1win s GLU 113 CO 0.10 0.15 0.93 0.96 -0.56 0.00 0.00 175.26 176.83 1win s ILE 114 N 0.34 4.19 -0.24 -3.70 -5.25 -1.26 -2.59 121.20 112.68 1win s ILE 114 Ca -0.11 1.87 -0.16 0.00 -0.99 0.00 0.00 60.65 61.26 1win s ILE 114 Cb -0.14 -4.10 -0.13 0.00 2.95 0.00 0.00 42.46 41.04 1win s ILE 114 CO 0.04 0.26 -0.19 0.18 -1.79 0.00 0.00 174.94 173.44 1win n LEU 115 N 0.87 1.92 -3.87 0.37 4.77 -0.09 -4.97 117.00 116.00 1win n LEU 115 Ca 0.00 0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 1win n LEU 115 Cb 0.49 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1win n LEU 115 CO 0.46 0.37 0.34 -0.55 -1.33 0.00 0.00 177.39 176.68 1win s SER 116 N -7.10 -0.22 -0.11 -1.43 0.15 -1.20 -4.99 113.70 98.81 1win s SER 116 Ca -0.34 -0.67 -0.05 0.00 0.70 0.00 0.00 55.95 55.59 1win s SER 116 Cb 0.11 0.65 0.05 0.00 -1.71 0.00 0.00 66.02 65.12 1win s SER 116 CO 0.50 -1.22 0.25 0.12 1.20 0.00 0.00 173.24 174.10 1win s PHE 117 N -3.94 -0.34 0.25 3.44 2.19 -1.26 -2.22 117.98 116.10 1win s PHE 117 Ca 0.14 0.82 -0.03 0.00 0.33 0.00 0.00 56.93 58.18 1win s PHE 117 Cb -0.03 0.05 -0.02 0.00 -1.31 0.00 0.00 43.02 41.71 1win s PHE 117 CO 0.05 -0.24 0.29 0.99 1.83 0.00 0.00 175.22 178.14 1win s THR 118 N 1.32 0.00 -0.18 0.12 2.01 0.14 -4.85 115.64 114.19 1win s THR 118 Ca -0.09 -1.78 -0.03 0.00 0.31 0.00 0.00 61.69 60.10 1win s THR 118 Cb -0.10 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 1win s THR 118 CO -0.09 0.00 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.16 1win s ILE 119 N -3.87 3.57 0.00 1.82 -1.09 -1.26 -0.18 121.20 120.18 1win s ILE 119 Ca 0.33 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1win s ILE 119 Cb 0.03 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1win s ILE 119 CO 0.14 0.46 0.00 1.17 -1.23 0.00 0.00 174.94 175.48 1win n LYS 120 N 4.13 0.00 -3.93 2.79 3.00 -1.26 -4.85 118.16 118.04 1win n LYS 120 Ca -0.18 0.35 -0.11 0.00 -0.00 0.00 0.00 58.31 58.38 1win n LYS 120 Cb 0.52 -0.84 -0.13 0.00 0.00 0.00 0.00 35.03 34.58 1win n LYS 120 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1win s ASP 121 N -2.61 0.14 -0.17 3.14 2.15 -1.26 -4.95 116.67 113.11 1win s ASP 121 Ca 0.00 -0.25 -0.05 0.00 0.43 0.00 0.00 52.55 52.68 1win s ASP 121 Cb 0.00 0.05 0.06 0.00 -0.30 0.00 0.00 42.92 42.73 1win s ASP 121 CO 0.00 -0.15 0.09 -0.69 -0.17 0.00 0.00 175.17 174.25 1win s VAL 122 N -0.73 -0.09 0.33 1.11 1.01 -1.26 -0.90 120.40 119.87 1win s VAL 122 Ca -0.08 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1win s VAL 122 Cb -0.05 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1win s VAL 122 CO -0.00 -0.27 0.07 -0.72 0.00 0.00 0.00 175.10 174.17 1win s TYR 123 N 2.14 1.90 -0.21 5.22 1.13 0.19 -4.97 117.35 122.74 1win s TYR 123 Ca 0.02 -1.02 -0.03 0.00 -1.41 0.00 0.00 57.07 54.63 1win s TYR 123 Cb -0.16 -1.23 -0.00 0.00 -1.10 0.00 0.00 41.96 39.47 1win s TYR 123 CO -0.09 -0.07 -0.08 0.16 -2.51 0.00 0.00 175.55 172.97 1win s ASP 124 N -3.49 4.05 0.07 -0.18 -4.77 -1.26 0.37 116.67 111.46 1win s ASP 124 Ca 0.35 -0.48 -0.27 0.00 -3.30 0.00 0.00 52.55 48.85 1win s ASP 124 Cb 0.08 -1.68 -0.17 0.00 -1.09 0.00 0.00 42.92 40.06 1win s ASP 124 CO 0.15 -0.02 1.61 0.11 0.70 0.00 0.00 175.17 177.71 1win h LYS 125 N 8.07 -0.41 0.00 2.11 1.57 -1.91 -1.85 116.57 124.15 1win h LYS 125 Ca -0.42 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1win h LYS 125 Cb 1.15 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1win h LYS 125 CO 0.61 -0.23 0.00 1.33 -0.57 0.00 0.00 179.45 180.59 1win n VAL 126 N -5.25 0.00 -3.65 0.50 0.24 -1.26 -4.84 118.33 104.07 1win n VAL 126 Ca -0.10 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.94 1win n VAL 126 Cb 0.21 -0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 32.05 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 -0.83 -2.41 0.00 -1.34 9.92 -0.70 -4.84 116.55 116.35 1win n ASP 127 Ca 0.10 -0.54 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1win n ASP 127 Cb 0.05 -2.06 0.00 0.00 -0.64 0.00 0.00 41.12 38.47 1win n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1win n TYR 128 N -3.69 0.00 0.00 1.24 9.36 -1.26 -0.79 117.16 122.02 1win n TYR 128 Ca 0.04 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.15 1win n TYR 128 Cb 0.50 -0.31 -0.06 0.00 -0.63 0.00 0.00 39.34 38.84 1win n TYR 128 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1win h LEU 129 N 0.00 0.09 -1.69 2.98 -0.00 -1.97 -2.38 115.31 112.35 1win h LEU 129 Ca 0.00 -0.07 0.48 0.00 -0.00 0.00 0.00 57.88 58.28 1win h LEU 129 Cb 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 40.54 1win h LEU 129 CO 0.00 0.14 1.06 0.28 -0.00 0.00 0.00 178.44 179.92 1win h SER 130 N 0.04 0.13 0.22 -0.43 0.02 -1.90 0.89 113.55 112.51 1win h SER 130 Ca 0.03 0.07 -0.33 0.00 -0.84 0.00 0.00 61.79 60.72 1win h SER 130 Cb 0.07 0.07 0.03 0.00 0.14 0.00 0.00 62.40 62.70 1win h SER 130 CO -0.00 -0.10 -1.52 0.28 -1.14 0.00 0.00 176.83 174.35 1win h SER 131 N 0.04 0.72 -0.89 3.07 0.02 -0.46 -3.31 113.55 112.74 1win h SER 131 Ca 0.84 -0.93 0.20 0.00 -0.84 0.00 0.00 61.79 61.06 1win h SER 131 Cb 2.98 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 65.22 1win h SER 131 CO -0.23 1.71 0.59 -0.07 -1.14 0.00 0.00 176.83 177.70 1win h LEU 132 N 0.06 0.37 -0.40 5.07 3.38 0.12 -3.46 115.31 120.45 1win h LEU 132 Ca -0.28 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1win h LEU 132 Cb 2.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1win h LEU 132 CO 0.22 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1win n GLY 133 N -1.53 0.55 0.02 0.83 0.00 -0.81 -5.04 105.19 99.21 1win n GLY 133 Ca 0.19 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.63 1win n GLY 133 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1win n LYS 134 N -0.08 2.37 -3.66 1.61 2.85 -1.26 -4.95 118.16 115.03 1win n LYS 134 Ca 0.00 -1.56 -0.27 0.00 -1.05 0.00 0.00 58.31 55.43 1win n LYS 134 Cb 0.01 -1.02 -0.16 0.00 -0.65 0.00 0.00 35.03 33.21 1win n LYS 134 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1win s THR 135 N -1.17 0.22 -0.82 0.58 -4.23 -1.26 -5.07 115.64 103.88 1win s THR 135 Ca 0.05 -0.49 -0.26 0.00 -1.18 0.00 0.00 61.69 59.81 1win s THR 135 Cb 0.04 -0.88 -0.15 0.00 1.34 0.00 0.00 72.50 72.86 1win s THR 135 CO 0.00 -0.34 2.38 -1.10 -0.54 0.00 0.00 174.62 175.02 1win s GLN 136 N 1.99 1.56 0.48 3.99 -0.21 -1.26 -4.91 119.66 121.29 1win s GLN 136 Ca 0.02 0.39 -0.17 0.00 0.02 0.00 0.00 55.36 55.62 1win s GLN 136 Cb -0.17 -4.81 -0.08 0.00 1.00 0.00 0.00 33.01 28.95 1win s GLN 136 CO -0.14 -4.56 0.95 -0.08 -2.12 0.00 0.00 175.29 169.34 1win s THR 137 N 15.01 4.53 -0.21 -0.19 -1.32 -1.26 -5.07 115.64 127.12 1win s THR 137 Ca 0.91 1.22 -0.28 0.00 -1.21 0.00 0.00 61.69 62.33 1win s THR 137 Cb -0.12 -3.69 0.13 0.00 -1.51 0.00 0.00 72.50 67.31 1win s THR 137 CO 0.09 -0.57 1.05 -0.55 -2.21 0.00 0.00 174.62 172.43 1win s SER 138 N -2.85 -0.36 0.00 8.08 0.15 -1.26 -5.17 113.70 112.29 1win s SER 138 Ca 0.59 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1win s SER 138 Cb -0.10 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1win s SER 138 CO 0.27 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1win n GLY 139 N 1.22 4.18 3.63 9.45 0.00 -1.26 -5.13 105.19 117.28 1win n GLY 139 Ca -0.10 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.55 -0.47 0.36 1.61 0.04 -1.26 -5.08 135.00 125.65 1win s PRO 140 Ca 0.00 0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.32 1win s PRO 140 Cb 0.00 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1win s PRO 140 CO 0.00 -3.27 0.23 0.45 0.04 0.00 0.00 177.00 174.45 1win s SER 141 N -3.67 4.87 0.21 6.66 0.15 -1.26 -5.14 113.70 115.52 1win s SER 141 Ca 0.68 -0.74 -0.23 0.00 0.70 0.00 0.00 55.95 56.37 1win s SER 141 Cb -0.14 -0.72 0.06 0.00 -1.71 0.00 0.00 66.02 63.50 1win s SER 141 CO 0.57 -0.41 0.92 -0.94 1.20 0.00 0.00 173.24 174.58 1win s SER 142 N -3.94 -0.13 0.00 5.45 1.04 -1.26 -5.36 113.70 109.50 1win s SER 142 Ca 0.41 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1win s SER 142 Cb -0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1win s SER 142 CO 0.25 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.98