#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 6.53 -0.13 1.61 0.15 -1.26 -4.98 113.70 115.63 1win s SER 2 Ca 0.00 2.49 0.01 0.00 0.70 0.00 0.00 55.95 59.15 1win s SER 2 Cb 0.00 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1win s SER 2 CO 0.00 -1.01 -0.15 -0.44 1.20 0.00 0.00 173.24 172.84 1win s SER 3 N 4.01 3.78 -0.29 5.45 0.01 -1.26 -5.10 113.70 120.30 1win s SER 3 Ca 0.82 -0.40 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 1win s SER 3 Cb -0.39 -1.57 0.15 0.00 0.21 0.00 0.00 66.02 64.43 1win s SER 3 CO 0.37 0.15 1.01 -0.83 0.41 0.00 0.00 173.24 174.34 1win s GLY 4 N 0.44 0.04 1.00 3.44 0.00 -1.26 -5.16 107.32 105.82 1win s GLY 4 Ca -0.11 3.20 -0.17 0.00 0.00 0.00 0.00 44.72 47.64 1win s GLY 4 CO 0.05 2.70 -0.35 1.44 0.00 0.00 0.00 173.10 176.95 1win n SER 5 N 3.82 -3.76 -3.51 1.64 7.64 -1.26 -5.02 113.62 113.17 1win n SER 5 Ca -0.17 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1win n SER 5 Cb 0.57 -0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 1win n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1win s SER 6 N -1.48 -0.98 0.00 6.43 1.04 -1.26 -4.91 113.70 112.54 1win s SER 6 Ca 0.48 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1win s SER 6 Cb -0.15 2.07 0.00 0.00 0.10 0.00 0.00 66.02 68.04 1win s SER 6 CO 0.73 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.37 1win n GLY 7 N 5.31 0.46 0.00 7.32 0.00 -1.26 -4.83 105.19 112.19 1win n GLY 7 Ca -0.10 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.54 1win n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1win n GLN 8 N 0.00 0.26 -2.81 1.61 7.27 -1.26 -4.81 117.38 117.64 1win n GLN 8 Ca 0.00 -0.08 -0.36 0.00 0.07 0.00 0.00 57.00 56.63 1win n GLN 8 Cb 0.00 -1.51 -0.06 0.00 2.41 0.00 0.00 30.24 31.08 1win n GLN 8 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1win s ARG 9 N -3.21 4.51 0.03 3.69 6.06 -1.26 -5.04 118.95 123.73 1win s ARG 9 Ca 0.02 1.27 -0.11 0.00 -2.50 0.00 0.00 55.73 54.40 1win s ARG 9 Cb 0.15 -2.73 -0.06 0.00 0.06 0.00 0.00 34.95 32.38 1win s ARG 9 CO 0.89 0.25 0.37 -1.50 -2.50 0.00 0.00 175.30 172.81 1win s ILE 10 N -1.68 5.12 -0.03 4.11 1.10 -1.26 -4.70 121.20 123.86 1win s ILE 10 Ca 0.51 0.53 -0.25 0.00 -0.51 0.00 0.00 60.65 60.93 1win s ILE 10 Cb -0.17 -3.64 -0.04 0.00 0.15 0.00 0.00 42.46 38.76 1win s ILE 10 CO 0.22 0.41 0.78 -0.55 -2.11 0.00 0.00 174.94 173.70 1win s SER 11 N -1.48 7.12 -0.09 4.50 0.15 -1.26 -4.94 113.70 117.70 1win s SER 11 Ca 0.28 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.27 1win s SER 11 Cb -0.15 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1win s SER 11 CO 0.15 -0.13 -0.10 0.18 1.20 0.00 0.00 173.24 174.54 1win n LEU 12 N 3.66 2.23 -3.11 3.45 4.77 -1.26 -4.85 117.00 121.89 1win n LEU 12 Ca 0.00 0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1win n LEU 12 Cb 0.51 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1win n LEU 12 CO 0.48 0.50 -0.50 1.21 -1.33 0.00 0.00 177.39 177.75 1win n GLU 13 N -2.99 0.00 -1.78 3.23 4.07 -1.26 -4.08 120.64 117.83 1win n GLU 13 Ca -0.17 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.51 1win n GLU 13 Cb 0.66 -0.73 -0.03 0.00 -0.06 0.00 0.00 31.44 31.28 1win n GLU 13 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1win s ILE 14 N -1.47 2.97 -0.19 6.31 1.01 -1.26 -4.69 121.20 123.87 1win s ILE 14 Ca 0.41 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 1win s ILE 14 Cb -0.35 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1win s ILE 14 CO 0.49 -0.01 0.16 0.00 0.00 0.00 0.00 174.94 175.58 1win s MET 15 N 3.56 4.20 -0.38 2.79 0.23 0.02 -4.98 119.30 124.74 1win s MET 15 Ca 0.81 -0.17 -0.19 0.00 -1.03 0.00 0.00 55.69 55.12 1win s MET 15 Cb -0.42 -3.42 0.01 0.00 -1.53 0.00 0.00 34.83 29.47 1win s MET 15 CO 0.36 0.28 0.53 0.99 -2.03 0.00 0.00 175.02 175.16 1win s THR 16 N 0.40 4.98 -0.18 3.16 2.01 -1.26 -2.26 115.64 122.49 1win s THR 16 Ca 0.09 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 1win s THR 16 Cb -0.11 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 1win s THR 16 CO -0.01 -0.34 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.72 1win s LEU 17 N 2.46 2.69 -0.58 4.42 1.43 -1.13 -5.02 118.68 122.94 1win s LEU 17 Ca 0.19 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1win s LEU 17 Cb -0.15 -1.65 0.15 0.00 0.03 0.00 0.00 46.19 44.57 1win s LEU 17 CO 0.15 0.04 0.51 -1.10 0.23 0.00 0.00 176.35 176.18 1win s GLN 18 N 1.08 2.94 -0.98 1.70 -0.21 -1.26 -3.13 119.66 119.79 1win s GLN 18 Ca 0.00 -1.92 -0.24 0.00 0.02 0.00 0.00 55.36 53.23 1win s GLN 18 Cb -0.15 -4.19 -0.06 0.00 1.00 0.00 0.00 33.01 29.62 1win s GLN 18 CO -0.02 -1.28 1.94 -1.25 -2.12 0.00 0.00 175.29 172.57 1win s PRO 19 N 1.16 2.53 -0.06 2.91 0.04 -1.23 -4.92 135.00 135.43 1win s PRO 19 Ca 0.07 -0.54 -0.04 0.00 0.04 0.00 0.00 61.00 60.54 1win s PRO 19 Cb -0.25 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.14 1win s PRO 19 CO -0.01 -3.56 0.12 -0.98 0.04 0.00 0.00 177.00 172.62 1win s ARG 20 N 6.86 3.31 -0.08 4.56 1.70 -0.60 -4.14 118.95 130.56 1win s ARG 20 Ca 0.70 -0.29 -0.01 0.00 -0.47 0.00 0.00 55.73 55.66 1win s ARG 20 Cb -0.05 -3.05 0.03 0.00 -0.57 0.00 0.00 34.95 31.31 1win s ARG 20 CO 0.03 0.71 -0.03 0.00 -1.08 0.00 0.00 175.30 174.94 1win s GLU 22 N 1.74 2.02 -0.50 0.00 1.03 -1.26 -1.58 118.70 120.15 1win s GLU 22 Ca 0.03 -0.99 -0.01 0.00 0.03 0.00 0.00 54.97 54.04 1win s GLU 22 Cb -0.13 -2.04 -0.01 0.00 -0.80 0.00 0.00 34.13 31.15 1win s GLU 22 CO -0.05 0.55 0.43 -3.47 -1.33 0.00 0.00 175.26 171.38 1win n ASP 23 N 2.15 -2.46 -3.89 0.83 2.03 -1.19 -5.03 116.55 109.00 1win n ASP 23 Ca -0.16 -0.28 -0.30 0.00 0.52 0.00 0.00 54.79 54.57 1win n ASP 23 Cb 0.51 -2.51 -0.14 0.00 -0.72 0.00 0.00 41.12 38.26 1win n ASP 23 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1win s VAL 24 N -3.16 1.95 -0.04 5.18 -7.23 -1.21 -4.91 120.40 110.98 1win s VAL 24 Ca 0.04 -2.52 -0.33 0.00 -1.81 0.00 0.00 61.98 57.36 1win s VAL 24 Cb -0.01 -2.40 -0.11 0.00 0.56 0.00 0.00 36.38 34.42 1win s VAL 24 CO 0.32 -0.73 1.88 -0.62 -0.31 0.00 0.00 175.10 175.63 1win n GLU 25 N 3.86 2.33 -0.18 4.82 1.02 -1.26 -2.48 120.64 128.75 1win n GLU 25 Ca 0.04 0.85 -0.20 0.00 -0.02 0.00 0.00 57.16 57.83 1win n GLU 25 Cb 0.37 -2.71 0.19 0.00 -0.02 0.00 0.00 31.44 29.28 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 5.08 0.00 -0.11 2.62 -2.24 0.09 -4.60 114.28 115.11 1win n THR 26 Ca 0.22 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1win n THR 26 Cb 0.32 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 1win n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1win h ALA 27 N -3.07 -0.54 0.34 6.98 0.00 0.29 -2.35 119.26 120.91 1win h ALA 27 Ca -0.26 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1win h ALA 27 Cb 0.88 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1win h ALA 27 CO 0.16 -0.92 -0.19 1.05 0.00 0.00 0.00 179.25 179.35 1win h GLU 28 N -0.37 -0.48 0.00 0.00 4.11 -1.83 -3.47 114.58 112.55 1win h GLU 28 Ca 0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1win h GLU 28 Cb 0.60 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1win h GLU 28 CO -0.56 -0.32 0.00 0.41 0.07 0.00 0.00 179.01 178.61 1win n GLY 29 N -1.31 -0.10 2.83 1.06 0.00 -0.88 -5.14 105.19 101.65 1win n GLY 29 Ca -0.10 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 1.09 -0.21 1.61 1.01 -1.26 -4.76 120.40 117.88 1win s VAL 30 Ca 0.00 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 1win s VAL 30 Cb 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1win s VAL 30 CO 0.00 -0.26 2.03 0.00 0.00 0.00 0.00 175.10 176.86 1win s ALA 31 N 1.58 2.93 0.35 5.51 0.00 -1.26 -0.73 121.76 130.13 1win s ALA 31 Ca -0.01 0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1win s ALA 31 Cb -0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 1win s ALA 31 CO -0.10 -2.51 0.17 -0.51 0.00 0.00 0.00 175.76 172.81 1win s LEU 32 N 7.16 3.29 -0.18 0.00 2.01 -1.03 -4.20 118.68 125.72 1win s LEU 32 Ca 0.91 -0.77 0.00 0.00 0.01 0.00 0.00 54.13 54.28 1win s LEU 32 Cb -0.31 -1.77 0.04 0.00 0.01 0.00 0.00 46.19 44.16 1win s LEU 32 CO 0.35 -0.34 -0.09 -0.89 1.01 0.00 0.00 176.35 176.39 1win s THR 33 N -2.43 1.47 -0.12 5.49 2.01 0.38 -3.16 115.64 119.27 1win s THR 33 Ca 0.39 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1win s THR 33 Cb -0.02 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1win s THR 33 CO 0.23 0.20 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 1win s VAL 34 N 1.48 1.64 -0.05 3.82 1.01 -0.61 0.15 120.40 127.84 1win s VAL 34 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1win s VAL 34 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1win s VAL 34 CO -0.08 0.47 0.34 0.74 0.00 0.00 0.00 175.10 176.57 1win h THR 35 N 5.93 0.00 -2.03 3.92 2.02 -1.26 0.24 112.91 121.73 1win h THR 35 Ca -0.32 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1win h THR 35 Cb 1.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1win h THR 35 CO 0.51 0.00 -0.49 0.61 0.37 0.00 0.00 175.52 176.52 1win n GLY 36 N 1.03 -3.98 2.85 2.16 0.00 -1.26 -1.56 105.19 104.43 1win n GLY 36 Ca -0.03 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1win n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1win s VAL 37 N -2.36 0.41 0.02 1.61 1.01 0.51 -3.50 120.40 118.10 1win s VAL 37 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1win s VAL 37 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1win s VAL 37 CO 0.00 0.21 0.25 0.00 0.00 0.00 0.00 175.10 175.56 1win s ALA 38 N 1.09 -0.58 0.01 5.51 0.00 -1.19 -0.00 121.76 126.61 1win s ALA 38 Ca -0.09 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1win s ALA 38 Cb -0.14 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1win s ALA 38 CO -0.01 -0.32 -0.03 -1.14 0.00 0.00 0.00 175.76 174.26 1win s GLN 39 N -2.02 2.65 0.08 0.00 2.00 -1.09 -2.86 119.66 118.43 1win s GLN 39 Ca -0.09 -0.69 -0.09 0.00 -2.00 0.00 0.00 55.36 52.50 1win s GLN 39 Cb -0.03 -2.58 -0.00 0.00 0.80 0.00 0.00 33.01 31.19 1win s GLN 39 CO -0.00 0.60 0.19 0.54 -0.50 0.00 0.00 175.29 176.12 1win s VAL 40 N -1.08 0.14 -0.02 1.34 0.11 -0.96 -1.33 120.40 118.61 1win s VAL 40 Ca 0.19 -1.17 -0.26 0.00 -2.93 0.00 0.00 61.98 57.81 1win s VAL 40 Cb -0.11 -1.32 0.06 0.00 -1.53 0.00 0.00 36.38 33.48 1win s VAL 40 CO 0.10 -0.65 0.56 -1.59 -3.33 0.00 0.00 175.10 170.20 1win s LYS 41 N -3.79 0.97 -0.17 1.54 -2.85 -1.24 -0.80 119.74 113.41 1win s LYS 41 Ca 0.04 0.05 -0.29 0.00 -1.00 0.00 0.00 55.97 54.77 1win s LYS 41 Cb 0.05 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1win s LYS 41 CO -0.11 -0.31 1.34 0.42 0.10 0.00 0.00 175.35 176.79 1win s ILE 42 N -1.52 4.14 0.88 3.79 1.09 -1.26 -3.61 121.20 124.71 1win s ILE 42 Ca -0.10 1.36 -0.11 0.00 -1.10 0.00 0.00 60.65 60.70 1win s ILE 42 Cb -0.01 -3.93 0.13 0.00 -1.06 0.00 0.00 42.46 37.58 1win s ILE 42 CO 0.06 -0.18 1.15 0.23 -0.10 0.00 0.00 174.94 176.10 1win n MET 43 N 6.83 -0.25 -1.97 2.79 2.81 -1.22 -5.00 117.12 121.11 1win n MET 43 Ca 0.15 -0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.74 1win n MET 43 Cb 0.45 -2.38 0.04 0.00 -0.71 0.00 0.00 33.22 30.61 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 -2.46 3.68 -0.86 2.03 2.01 -1.26 -4.96 115.64 113.82 1win s THR 44 Ca 0.69 0.46 -0.25 0.00 0.31 0.00 0.00 61.69 62.90 1win s THR 44 Cb -0.25 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1win s THR 44 CO 0.56 -0.67 1.69 -1.83 -0.69 0.00 0.00 174.62 173.67 1win s GLU 45 N -5.28 2.96 -0.16 4.92 -1.05 -1.26 -4.78 118.70 114.05 1win s GLU 45 Ca 0.57 -0.35 -0.14 0.00 -0.15 0.00 0.00 54.97 54.91 1win s GLU 45 Cb -0.11 -4.89 -0.10 0.00 -0.44 0.00 0.00 34.13 28.60 1win s GLU 45 CO 0.51 -2.74 0.05 -0.22 0.95 0.00 0.00 175.26 173.81 1win h LYS 46 N 11.39 0.00 -1.75 -4.83 1.63 -1.99 -3.48 116.57 117.54 1win h LYS 46 Ca 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1win h LYS 46 Cb 1.04 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.41 1win h LYS 46 CO 1.29 0.41 -0.38 -1.21 -3.45 0.00 0.00 179.45 176.10 1win s GLU 47 N -2.19 0.42 -1.18 1.90 8.01 -1.26 -4.95 118.70 119.45 1win s GLU 47 Ca -0.18 0.80 -0.03 0.00 0.01 0.00 0.00 54.97 55.57 1win s GLU 47 Cb 0.03 0.02 -0.02 0.00 -4.31 0.00 0.00 34.13 29.84 1win s GLU 47 CO 0.35 -0.55 0.89 1.28 0.01 0.00 0.00 175.26 177.24 1win n LEU 48 N 5.39 -4.12 0.16 1.80 4.77 -1.26 -4.84 117.00 118.90 1win n LEU 48 Ca -0.04 -0.72 0.11 0.00 -0.03 0.00 0.00 56.01 55.32 1win n LEU 48 Cb 0.50 -2.98 0.58 0.00 -2.33 0.00 0.00 43.42 39.19 1win n LEU 48 CO 0.04 0.32 0.83 -0.11 -1.33 0.00 0.00 177.39 177.14 1win n LEU 49 N -3.94 0.57 -0.52 2.23 -0.00 -1.26 -2.96 117.00 111.11 1win n LEU 49 Ca -0.22 0.75 0.41 0.00 -0.00 0.00 0.00 56.01 56.96 1win n LEU 49 Cb 0.65 -0.81 0.67 0.00 -0.00 0.00 0.00 43.42 43.93 1win n LEU 49 CO 0.63 -0.92 1.20 0.00 -0.00 0.00 0.00 177.39 178.30 1win n ALA 50 N -1.78 1.44 -0.23 1.96 0.00 -1.26 0.58 120.51 121.23 1win n ALA 50 Ca -0.01 0.69 0.03 0.00 0.00 0.00 0.00 53.44 54.15 1win n ALA 50 Cb 0.05 -0.98 0.13 0.00 0.00 0.00 0.00 19.45 18.65 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 0.43 0.00 0.00 3.04 -1.86 -1.85 116.25 116.01 1win h VAL 51 Ca 0.81 -0.04 -0.26 0.00 -1.01 0.00 0.00 66.70 66.20 1win h VAL 51 Cb 2.93 0.29 -0.05 0.00 -2.01 0.00 0.00 31.29 32.46 1win h VAL 51 CO -0.23 0.02 -2.12 0.00 -1.01 0.00 0.00 177.57 174.23 1win n ALA 52 N -2.86 1.78 0.12 3.17 0.00 0.20 -3.88 120.51 119.04 1win n ALA 52 Ca 0.11 -1.01 -0.06 0.00 0.00 0.00 0.00 53.44 52.48 1win n ALA 52 Cb 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.36 0.43 -0.67 0.00 5.08 -1.58 0.24 114.58 117.73 1win h GLU 54 Ca -0.03 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1win h GLU 54 Cb 0.30 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1win h GLU 54 CO 0.01 0.59 0.44 0.37 -1.00 0.00 0.00 179.01 179.42 1win h GLN 55 N 0.39 0.59 0.00 2.33 4.15 -1.60 -2.55 115.11 118.43 1win h GLN 55 Ca 0.07 -0.04 -0.30 0.00 0.77 0.00 0.00 58.65 59.16 1win h GLN 55 Cb 0.52 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1win h GLN 55 CO 0.03 0.39 -1.72 1.19 -1.93 0.00 0.00 178.83 176.79 1win n PHE 56 N -4.48 0.53 -0.33 3.99 3.72 -0.39 -4.40 117.46 116.11 1win n PHE 56 Ca 0.10 0.23 0.01 0.00 -0.05 0.00 0.00 57.45 57.74 1win n PHE 56 Cb 0.29 -1.00 0.06 0.00 -0.94 0.00 0.00 39.48 37.89 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 -4.37 -0.49 -0.35 4.37 4.77 0.83 0.16 117.00 121.92 1win n LEU 57 Ca -0.39 1.50 0.17 0.00 -0.03 0.00 0.00 56.01 57.26 1win n LEU 57 Cb 0.73 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.82 1win n LEU 57 CO 0.12 -1.37 1.17 1.23 -1.33 0.00 0.00 177.39 177.21 1win h GLY 58 N 0.00 1.84 -1.79 -0.72 0.00 -1.67 -3.42 103.07 97.31 1win h GLY 58 Ca 0.33 -0.31 -0.49 0.00 0.00 0.00 0.00 47.33 46.86 1win h GLY 58 CO -0.87 -0.20 -0.10 0.54 0.00 0.00 0.00 176.54 175.91 1win s LYS 59 N -5.77 2.32 0.86 4.80 1.02 0.42 -5.13 119.74 118.27 1win s LYS 59 Ca -0.11 -1.64 -0.10 0.00 0.02 0.00 0.00 55.97 54.14 1win s LYS 59 Cb 0.27 -2.64 0.16 0.00 -0.52 0.00 0.00 37.83 35.10 1win s LYS 59 CO 0.80 -0.84 1.20 -0.80 -0.92 0.00 0.00 175.35 174.78 1win s ASN 60 N -4.65 3.66 0.15 2.83 0.01 -1.26 -4.91 114.94 110.77 1win s ASN 60 Ca 0.61 0.10 -0.10 0.00 -0.71 0.00 0.00 52.86 52.76 1win s ASN 60 Cb -0.06 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.29 1win s ASN 60 CO 0.39 -2.36 1.48 -0.37 -1.51 0.00 0.00 177.10 174.72 1win h VAL 61 N -1.21 1.28 -0.53 1.60 -1.51 -1.87 -3.20 116.25 110.81 1win h VAL 61 Ca -0.42 -1.61 0.10 0.00 -1.23 0.00 0.00 66.70 63.55 1win h VAL 61 Cb 1.25 1.46 -0.08 0.00 -2.13 0.00 0.00 31.29 31.79 1win h VAL 61 CO 0.41 0.53 0.06 1.56 -1.23 0.00 0.00 177.57 178.90 1win h GLN 62 N 0.70 0.17 -0.10 5.19 4.20 -1.94 -2.49 115.11 120.85 1win h GLN 62 Ca 0.05 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1win h GLN 62 Cb 1.01 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 1win h GLN 62 CO 0.10 0.11 -0.51 -0.44 -0.67 0.00 0.00 178.83 177.42 1win h ASP 63 N 0.18 -1.61 -0.17 1.46 5.19 -1.95 -2.85 116.42 116.68 1win h ASP 63 Ca 0.27 0.19 0.01 0.00 -0.62 0.00 0.00 57.03 56.89 1win h ASP 63 Cb 0.40 0.63 -0.02 0.00 0.18 0.00 0.00 39.33 40.52 1win h ASP 63 CO -0.40 -0.48 -0.10 -0.38 -3.12 0.00 0.00 179.24 174.76 1win n ILE 64 N -5.44 -0.11 -0.35 0.35 -0.00 -0.94 0.15 119.36 113.01 1win n ILE 64 Ca -0.06 1.33 0.03 0.00 -0.00 0.00 0.00 62.75 64.05 1win n ILE 64 Cb 0.38 -1.74 0.09 0.00 -0.00 0.00 0.00 39.64 38.37 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 -3.25 -0.14 0.32 0.38 5.02 -1.09 -0.98 118.16 118.42 1win n LYS 65 Ca 0.00 1.45 -0.13 0.00 -2.02 0.00 0.00 58.31 57.62 1win n LYS 65 Cb 0.04 -2.17 -0.06 0.00 -0.02 0.00 0.00 35.03 32.83 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 -0.71 -0.86 4.39 2.35 -0.13 -0.42 115.58 120.21 1win h ASN 66 Ca 0.40 0.02 0.16 0.00 -0.55 0.00 0.00 56.30 56.34 1win h ASN 66 Cb 0.63 0.18 -0.16 0.00 0.05 0.00 0.00 38.32 39.03 1win h ASN 66 CO -0.95 -0.45 -0.23 0.52 -1.65 0.00 0.00 177.43 174.67 1win n VAL 67 N -4.55 -0.37 0.35 2.81 0.31 0.10 0.01 118.33 116.99 1win n VAL 67 Ca -0.10 1.97 -0.15 0.00 -0.01 0.00 0.00 64.34 66.05 1win n VAL 67 Cb 0.33 -2.70 -0.07 0.00 -0.91 0.00 0.00 33.84 30.49 1win n VAL 67 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1win h VAL 68 N 0.00 0.01 -1.30 2.52 2.07 -1.03 -3.01 116.25 115.51 1win h VAL 68 Ca 0.39 -0.31 0.38 0.00 0.82 0.00 0.00 66.70 67.98 1win h VAL 68 Cb 0.61 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 1win h VAL 68 CO -0.88 0.00 0.89 0.25 0.02 0.00 0.00 177.57 177.86 1win h LEU 69 N -1.25 0.18 -0.67 2.57 5.85 0.73 0.72 115.31 123.44 1win h LEU 69 Ca -0.10 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1win h LEU 69 Cb 0.72 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1win h LEU 69 CO 0.16 -0.03 0.14 1.56 -0.34 0.00 0.00 178.44 179.94 1win h GLN 70 N 0.12 1.09 0.25 1.25 1.08 -0.29 0.80 115.11 119.41 1win h GLN 70 Ca 0.69 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.62 1win h GLN 70 Cb 2.37 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.65 1win h GLN 70 CO -0.19 0.98 -0.20 1.15 -0.95 0.00 0.00 178.83 179.63 1win h THR 71 N 1.02 0.58 -0.51 -0.54 2.02 0.58 0.29 112.91 116.34 1win h THR 71 Ca 0.21 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.28 1win h THR 71 Cb 0.39 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1win h THR 71 CO 0.01 0.00 -0.09 -0.07 0.37 0.00 0.00 175.52 175.74 1win h LEU 72 N -0.46 0.97 -0.51 2.58 3.38 -1.47 -2.63 115.31 117.17 1win h LEU 72 Ca -0.01 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1win h LEU 72 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1win h LEU 72 CO -0.01 1.09 0.30 -0.33 0.09 0.00 0.00 178.44 179.58 1win h GLU 73 N 0.83 0.70 -0.62 1.13 5.08 -0.64 -0.97 114.58 120.10 1win h GLU 73 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1win h GLU 73 Cb 0.64 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1win h GLU 73 CO 0.04 0.52 0.36 0.78 -1.00 0.00 0.00 179.01 179.71 1win h GLY 74 N 0.69 0.91 0.95 -3.84 0.00 -0.34 -2.75 103.07 98.69 1win h GLY 74 Ca 0.18 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1win h GLY 74 CO -0.03 0.38 0.05 0.45 0.00 0.00 0.00 176.54 177.39 1win h HIS 75 N 0.84 0.76 -0.36 5.60 3.86 -1.22 -2.99 115.15 121.63 1win h HIS 75 Ca 0.22 -0.11 0.08 0.00 -1.16 0.00 0.00 60.37 59.39 1win h HIS 75 Cb 0.01 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.19 1win h HIS 75 CO -0.01 0.74 -0.20 1.25 0.86 0.00 0.00 177.93 180.57 1win h LEU 76 N 0.55 -0.67 -0.42 2.43 5.85 -0.97 0.33 115.31 122.42 1win h LEU 76 Ca 0.12 0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1win h LEU 76 Cb 0.41 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1win h LEU 76 CO 0.01 -0.23 0.05 -0.09 -0.34 0.00 0.00 178.44 177.84 1win h ARG 77 N -0.14 0.17 0.66 1.25 1.12 -1.44 0.94 114.38 116.94 1win h ARG 77 Ca 0.18 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.02 1win h ARG 77 Cb 0.42 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.34 1win h ARG 77 CO -0.45 0.11 -0.40 1.03 -3.11 0.00 0.00 179.97 177.15 1win h SER 78 N 0.17 -1.01 -0.50 -3.80 0.87 -1.14 0.18 113.55 108.32 1win h SER 78 Ca 0.20 0.06 0.14 0.00 -1.23 0.00 0.00 61.79 60.96 1win h SER 78 Cb 0.27 0.30 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1win h SER 78 CO -0.29 -0.63 0.36 0.40 -0.53 0.00 0.00 176.83 176.14 1win h ILE 79 N -1.00 0.77 0.25 2.23 1.08 -0.72 -2.18 117.51 117.94 1win h ILE 79 Ca -0.08 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1win h ILE 79 Cb 0.81 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1win h ILE 79 CO 0.09 0.01 -0.12 0.25 -0.69 0.00 0.00 178.15 177.69 1win h LEU 80 N 0.05 -0.28 -0.19 1.44 6.46 -0.21 -3.12 115.31 119.46 1win h LEU 80 Ca 0.24 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1win h LEU 80 Cb 0.89 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.83 1win h LEU 80 CO -0.01 0.22 -0.48 1.23 -0.62 0.00 0.00 178.44 178.78 1win h GLY 81 N -1.02 -1.15 1.31 3.75 0.00 -0.27 0.37 103.07 106.05 1win h GLY 81 Ca -0.03 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1win h GLY 81 CO 0.06 -0.23 0.32 0.00 0.00 0.00 0.00 176.54 176.68 1win h THR 82 N -0.46 0.00 -2.19 4.70 1.03 -1.56 1.24 112.91 115.67 1win h THR 82 Ca 0.04 0.00 -0.45 0.00 -0.01 0.00 0.00 66.41 65.99 1win h THR 82 Cb 0.57 0.54 0.01 0.00 -1.07 0.00 0.00 68.15 68.20 1win h THR 82 CO -0.43 0.00 -0.28 -0.76 -0.01 0.00 0.00 175.52 174.04 1win s LEU 83 N -5.19 3.95 -0.09 0.00 1.43 0.13 -4.75 118.68 114.16 1win s LEU 83 Ca -0.03 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1win s LEU 83 Cb 0.07 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 1win s LEU 83 CO 0.22 -0.43 0.01 0.42 0.23 0.00 0.00 176.35 176.80 1win s THR 84 N -2.25 4.39 0.17 5.49 -4.23 -1.26 -1.35 115.64 116.59 1win s THR 84 Ca 0.44 -0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1win s THR 84 Cb -0.10 -2.85 0.23 0.00 1.34 0.00 0.00 72.50 71.12 1win s THR 84 CO 0.33 0.60 1.08 0.52 -0.54 0.00 0.00 174.62 176.62 1win n VAL 85 N 2.12 -0.34 0.01 2.29 0.31 -1.26 -0.84 118.33 120.62 1win n VAL 85 Ca -0.19 1.62 -0.01 0.00 -0.01 0.00 0.00 64.34 65.75 1win n VAL 85 Cb 0.54 -2.18 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 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 -0.06 -0.91 5.55 5.08 -2.00 -1.89 114.58 120.35 1win h GLU 86 Ca 0.28 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.84 1win h GLU 86 Cb 0.45 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.54 1win h GLU 86 CO -0.70 -0.04 -0.20 1.04 -1.00 0.00 0.00 179.01 178.11 1win n GLN 87 N -2.71 -0.08 -0.04 2.33 6.02 -0.02 0.35 117.38 123.22 1win n GLN 87 Ca -0.01 1.42 -0.08 0.00 -0.01 0.00 0.00 57.00 58.32 1win n GLN 87 Cb 0.04 -2.14 -0.02 0.00 1.02 0.00 0.00 30.24 29.14 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 0.42 0.61 5.09 2.04 -0.86 -2.30 117.51 122.51 1win h ILE 88 Ca 0.45 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.28 1win h ILE 88 Cb 0.73 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1win h ILE 88 CO -0.93 0.00 -0.29 1.88 0.00 0.00 0.00 178.15 178.81 1win h TYR 89 N -0.24 -0.75 -0.72 1.37 0.05 0.68 -3.09 116.97 114.27 1win h TYR 89 Ca 0.13 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.96 1win h TYR 89 Cb 0.44 0.25 -0.09 0.00 1.01 0.00 0.00 36.73 38.35 1win h TYR 89 CO -0.38 -0.43 -0.42 1.04 -1.05 0.00 0.00 178.16 176.92 1win n GLN 90 N -5.39 -0.32 -3.90 4.88 1.13 0.16 -3.66 117.38 110.29 1win n GLN 90 Ca -0.12 1.15 -0.30 0.00 -1.94 0.00 0.00 57.00 55.78 1win n GLN 90 Cb 0.35 -1.70 -0.15 0.00 0.11 0.00 0.00 30.24 28.85 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 -5.18 4.35 -0.08 1.08 1.11 -0.88 -5.00 116.67 112.07 1win s ASP 91 Ca -0.09 -1.80 -0.14 0.00 0.18 0.00 0.00 52.55 50.70 1win s ASP 91 Cb 0.08 -1.28 -0.10 0.00 1.07 0.00 0.00 42.92 42.68 1win s ASP 91 CO 0.44 -0.37 0.48 0.03 1.18 0.00 0.00 175.17 176.94 1win h ARG 92 N 7.84 -0.14 -0.87 8.23 3.08 -1.61 -3.07 114.38 127.84 1win h ARG 92 Ca -0.10 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.17 1win h ARG 92 Cb 1.03 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.98 1win h ARG 92 CO 0.48 0.19 0.34 -0.44 -1.07 0.00 0.00 179.97 179.47 1win h ASP 93 N -0.99 0.24 -0.29 7.04 3.32 -1.94 0.48 116.42 124.29 1win h ASP 93 Ca -0.02 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1win h ASP 93 Cb 0.40 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1win h ASP 93 CO 0.03 -0.03 0.19 -0.61 -1.72 0.00 0.00 179.24 177.10 1win h GLN 94 N 0.36 0.38 -0.15 3.56 5.75 -1.96 -1.87 115.11 121.18 1win h GLN 94 Ca 0.54 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 59.05 1win h GLN 94 Cb 1.02 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 29.42 1win h GLN 94 CO -0.54 0.26 -0.50 0.35 -2.65 0.00 0.00 178.83 175.74 1win h PHE 95 N 0.39 -1.48 -0.98 3.99 3.57 -0.80 -0.87 116.94 120.75 1win h PHE 95 Ca 0.11 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1win h PHE 95 Cb -0.04 0.67 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 1win h PHE 95 CO -0.06 -0.52 0.62 0.00 -2.23 0.00 0.00 178.31 176.12 1win h ALA 96 N -0.14 1.41 -0.81 2.41 0.00 -1.39 -0.74 119.26 120.01 1win h ALA 96 Ca 0.05 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1win h ALA 96 Cb 0.66 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1win h ALA 96 CO -0.44 0.32 0.54 -0.22 0.00 0.00 0.00 179.25 179.46 1win h LYS 97 N 1.07 0.33 -0.10 0.00 3.64 -0.32 0.22 116.57 121.40 1win h LYS 97 Ca 0.45 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.72 1win h LYS 97 Cb 0.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1win h LYS 97 CO -0.21 0.22 -0.30 -0.07 -2.27 0.00 0.00 179.45 176.81 1win h LEU 98 N 0.34 0.43 -0.66 5.20 3.38 -0.51 -1.26 115.31 122.22 1win h LEU 98 Ca 0.41 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1win h LEU 98 Cb 1.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1win h LEU 98 CO -0.12 0.96 0.36 0.58 0.09 0.00 0.00 178.44 180.32 1win h VAL 99 N -0.07 1.21 0.00 1.22 2.07 -0.99 -0.30 116.25 119.38 1win h VAL 99 Ca -0.01 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 1win h VAL 99 Cb 0.92 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1win h VAL 99 CO 0.06 0.23 -0.45 0.08 0.02 0.00 0.00 177.57 177.51 1win h ARG 100 N 0.91 0.00 -0.03 1.57 0.11 -1.06 -1.05 114.38 114.83 1win h ARG 100 Ca 0.23 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.09 1win h ARG 100 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1win h ARG 100 CO -0.04 0.45 -0.89 0.93 0.10 0.00 0.00 179.97 180.52 1win h GLU 101 N 0.00 0.48 0.00 0.08 4.39 -0.63 0.17 114.58 119.08 1win h GLU 101 Ca -0.00 -0.48 -0.11 0.00 0.34 0.00 0.00 59.36 59.11 1win h GLU 101 Cb 0.98 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1win h GLU 101 CO 0.06 1.12 -0.69 -0.24 -1.16 0.00 0.00 179.01 178.10 1win h VAL 102 N 0.29 0.74 0.01 3.13 3.04 -0.99 -3.32 116.25 119.15 1win h VAL 102 Ca -0.07 -2.10 -0.29 0.00 -1.01 0.00 0.00 66.70 63.22 1win h VAL 102 Cb 1.52 2.30 -0.05 0.00 -2.01 0.00 0.00 31.29 33.06 1win h VAL 102 CO 0.16 0.42 -1.68 0.00 -1.01 0.00 0.00 177.57 175.46 1win h ALA 103 N 1.51 0.73 -0.23 3.17 0.00 -1.20 -3.36 119.26 119.89 1win h ALA 103 Ca -0.04 -1.43 0.04 0.00 0.00 0.00 0.00 54.91 53.48 1win h ALA 103 Cb 1.40 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 1win h ALA 103 CO 0.06 1.56 -0.54 0.00 0.00 0.00 0.00 179.25 180.32 1win h ALA 104 N 0.95 -0.85 0.00 0.00 0.00 -0.74 0.36 119.26 118.98 1win h ALA 104 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1win h ALA 104 Cb 2.00 1.05 0.00 0.00 0.00 0.00 0.00 17.79 20.84 1win h ALA 104 CO 0.08 -1.07 0.00 -0.35 0.00 0.00 0.00 179.25 177.91 1win n PRO 105 N -5.36 0.37 -0.10 0.00 -0.04 -1.26 -3.04 135.00 125.56 1win n PRO 105 Ca -0.05 0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 1win n PRO 105 Cb 0.36 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.12 1.90 -0.01 3.54 9.92 0.92 -4.37 116.55 127.33 1win n ASP 106 Ca 0.10 0.42 0.17 0.00 -0.53 0.00 0.00 54.79 54.95 1win n ASP 106 Cb 0.08 -0.84 0.63 0.00 -0.64 0.00 0.00 41.12 40.34 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 -1.00 0.80 -0.14 2.53 -1.51 -0.57 -0.18 116.25 116.18 1win h VAL 107 Ca -0.28 -0.04 0.04 0.00 -1.23 0.00 0.00 66.70 65.18 1win h VAL 107 Cb 1.14 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1win h VAL 107 CO -0.17 0.02 0.24 1.23 -1.23 0.00 0.00 177.57 177.66 1win h GLY 108 N 0.13 0.00 0.71 5.19 0.00 -1.43 -1.59 103.07 106.09 1win h GLY 108 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1win h GLY 108 CO -0.03 0.00 -0.03 3.21 0.00 0.00 0.00 176.54 179.69 1win h ARG 109 N 0.00 -0.07 -0.16 4.80 3.08 -1.25 -3.16 114.38 117.62 1win h ARG 109 Ca 0.07 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1win h ARG 109 Cb 0.54 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1win h ARG 109 CO -0.00 0.22 -0.52 0.00 -1.07 0.00 0.00 179.97 178.60 1win h MET 110 N -0.36 0.45 0.00 0.04 -0.00 -1.51 -3.47 114.93 110.09 1win h MET 110 Ca -0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 59.70 59.42 1win h MET 110 Cb 0.32 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 31.95 1win h MET 110 CO 0.01 0.86 0.00 0.41 -0.00 0.00 0.00 176.91 178.20 1win n GLY 111 N 0.16 1.59 3.53 -3.00 0.00 -0.68 -2.97 105.19 103.82 1win n GLY 111 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.63 3.28 -0.07 -0.61 -1.09 -0.75 -3.40 121.20 116.93 1win s ILE 112 Ca 0.00 -0.84 0.05 0.00 -2.23 0.00 0.00 60.65 57.64 1win s ILE 112 Cb 0.00 -2.37 -0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1win s ILE 112 CO 0.00 0.45 -0.23 -0.70 -1.23 0.00 0.00 174.94 173.23 1win s GLU 113 N -1.18 2.67 0.09 2.79 2.12 -1.24 -2.71 118.70 121.23 1win s GLU 113 Ca 0.15 -0.87 -0.28 0.00 0.36 0.00 0.00 54.97 54.33 1win s GLU 113 Cb -0.11 -2.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.99 1win s GLU 113 CO 0.05 0.37 0.88 0.96 -0.54 0.00 0.00 175.26 176.98 1win s ILE 114 N -0.12 4.57 -0.16 -3.70 -5.25 -1.26 -3.63 121.20 111.64 1win s ILE 114 Ca -0.04 1.89 -0.18 0.00 -0.99 0.00 0.00 60.65 61.33 1win s ILE 114 Cb -0.14 -4.24 -0.15 0.00 2.95 0.00 0.00 42.46 40.88 1win s ILE 114 CO 0.04 0.35 0.25 -0.07 -1.79 0.00 0.00 174.94 173.72 1win h LEU 115 N 5.53 0.00 -7.74 0.37 -0.00 -1.59 -3.50 115.31 108.39 1win h LEU 115 Ca -0.43 -0.46 0.07 0.00 -0.00 0.00 0.00 57.88 57.05 1win h LEU 115 Cb 1.21 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.80 1win h LEU 115 CO 0.71 1.08 0.27 -0.44 -0.00 0.00 0.00 178.44 180.06 1win s SER 116 N -6.28 -0.31 -0.11 -0.43 0.01 -1.23 -4.98 113.70 100.38 1win s SER 116 Ca -0.19 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 1win s SER 116 Cb 0.02 0.66 0.05 0.00 0.21 0.00 0.00 66.02 66.96 1win s SER 116 CO 0.46 -1.19 0.23 0.12 0.41 0.00 0.00 173.24 173.27 1win s PHE 117 N -3.77 -0.33 0.25 2.43 2.19 -1.26 -2.69 117.98 114.80 1win s PHE 117 Ca 0.09 0.81 0.02 0.00 0.33 0.00 0.00 56.93 58.18 1win s PHE 117 Cb -0.04 -0.03 -0.04 0.00 -1.31 0.00 0.00 43.02 41.60 1win s PHE 117 CO 0.02 -0.27 0.18 0.99 1.83 0.00 0.00 175.22 177.97 1win s THR 118 N 1.77 0.03 -0.26 0.12 2.01 1.00 -4.61 115.64 115.70 1win s THR 118 Ca -0.04 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 59.93 1win s THR 118 Cb -0.11 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1win s THR 118 CO -0.08 0.00 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.20 1win s ILE 119 N -3.87 3.19 0.00 1.82 -1.09 -1.26 -0.36 121.20 119.62 1win s ILE 119 Ca 0.39 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1win s ILE 119 Cb 0.05 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1win s ILE 119 CO 0.18 0.19 0.12 1.17 -1.23 0.00 0.00 174.94 175.37 1win n LYS 120 N 4.73 0.00 -4.16 2.79 3.00 -1.26 -4.89 118.16 118.37 1win n LYS 120 Ca -0.16 0.37 -0.17 0.00 -0.00 0.00 0.00 58.31 58.35 1win n LYS 120 Cb 0.48 -0.94 -0.12 0.00 0.00 0.00 0.00 35.03 34.44 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 -2.41 1.32 -0.24 3.14 1.01 -1.26 -4.97 116.67 113.27 1win s ASP 121 Ca 0.00 -0.54 -0.04 0.00 0.71 0.00 0.00 52.55 52.68 1win s ASP 121 Cb 0.00 -0.03 0.10 0.00 1.01 0.00 0.00 42.92 44.00 1win s ASP 121 CO 0.00 -0.10 0.18 -0.69 0.21 0.00 0.00 175.17 174.77 1win s VAL 122 N -1.18 -0.21 0.34 -1.27 1.01 -1.26 -0.83 120.40 116.99 1win s VAL 122 Ca -0.04 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1win s VAL 122 Cb -0.09 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1win s VAL 122 CO 0.01 -0.43 0.06 -0.72 0.00 0.00 0.00 175.10 174.01 1win s TYR 123 N 2.22 2.02 -0.21 5.22 1.13 0.12 -4.96 117.35 122.88 1win s TYR 123 Ca 0.07 -0.94 -0.04 0.00 -1.41 0.00 0.00 57.07 54.75 1win s TYR 123 Cb -0.16 -1.33 -0.01 0.00 -1.10 0.00 0.00 41.96 39.36 1win s TYR 123 CO -0.23 0.04 -0.04 0.16 -2.51 0.00 0.00 175.55 172.97 1win s ASP 124 N -3.52 4.32 0.44 -0.18 -4.77 -1.26 0.14 116.67 111.84 1win s ASP 124 Ca 0.35 -0.37 0.11 0.00 -3.30 0.00 0.00 52.55 49.34 1win s ASP 124 Cb 0.09 -1.74 0.98 0.00 -1.09 0.00 0.00 42.92 41.16 1win s ASP 124 CO 0.16 -0.00 2.05 0.11 0.70 0.00 0.00 175.17 178.18 1win h LYS 125 N 7.99 0.25 -0.11 2.11 1.79 -1.88 -0.02 116.57 126.70 1win h LYS 125 Ca -0.40 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1win h LYS 125 Cb 1.16 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1win h LYS 125 CO 0.60 0.24 0.00 1.33 -1.08 0.00 0.00 179.45 180.54 1win n VAL 126 N -4.43 0.15 -3.68 0.50 0.24 -1.26 -4.88 118.33 104.96 1win n VAL 126 Ca -0.00 -0.17 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 1win n VAL 126 Cb 0.14 0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.50 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 -0.19 -1.35 0.11 -1.34 8.00 -0.02 -4.76 116.55 117.00 1win n ASP 127 Ca 0.08 -0.84 -0.12 0.00 0.71 0.00 0.00 54.79 54.62 1win n ASP 127 Cb 0.14 -1.18 -0.06 0.00 -0.02 0.00 0.00 41.12 40.00 1win n ASP 127 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1win h TYR 128 N -0.61 -0.61 -0.56 1.24 3.20 -1.90 -0.70 116.97 117.03 1win h TYR 128 Ca -0.42 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.51 1win h TYR 128 Cb 1.04 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.51 1win h TYR 128 CO 0.56 -0.33 0.29 -0.07 -1.64 0.00 0.00 178.16 176.97 1win h LEU 129 N -0.43 0.43 -2.41 2.82 4.07 -1.94 -0.08 115.31 117.78 1win h LEU 129 Ca 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1win h LEU 129 Cb 0.45 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1win h LEU 129 CO -0.13 0.29 -0.03 -1.28 -1.08 0.00 0.00 178.44 176.21 1win h SER 130 N 0.56 0.00 -0.69 -0.43 0.87 -1.81 -1.99 113.55 110.07 1win h SER 130 Ca 0.25 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.41 1win h SER 130 Cb 0.16 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 61.91 1win h SER 130 CO -0.17 0.03 0.51 -0.24 -0.53 0.00 0.00 176.83 176.43 1win n SER 131 N -3.34 4.80 -0.07 6.23 2.88 -0.04 -4.03 113.62 120.06 1win n SER 131 Ca -0.02 -3.20 -0.07 0.00 -1.33 0.00 0.00 58.87 54.25 1win n SER 131 Cb 0.15 -0.84 -0.11 0.00 -0.75 0.00 0.00 64.21 62.66 1win n SER 131 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1win n LEU 132 N -0.46 0.03 0.04 2.46 4.77 -0.75 -4.99 117.00 118.12 1win n LEU 132 Ca 0.42 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1win n LEU 132 Cb 1.05 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 42.47 1win n LEU 132 CO 0.47 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1win n GLY 133 N 2.15 -1.02 3.77 -0.72 0.00 -1.26 -5.12 105.19 103.00 1win n GLY 133 Ca -0.23 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1win n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1win s LYS 134 N -1.22 4.24 -0.80 1.61 -2.85 -1.26 -4.98 119.74 114.47 1win s LYS 134 Ca 0.00 1.76 0.02 0.00 -1.00 0.00 0.00 55.97 56.75 1win s LYS 134 Cb 0.00 -2.78 0.30 0.00 -2.06 0.00 0.00 37.83 33.29 1win s LYS 134 CO 0.00 -0.14 1.21 0.25 0.10 0.00 0.00 175.35 176.77 1win n THR 135 N 0.34 4.07 -4.33 3.79 -2.24 -1.26 -4.43 114.28 110.22 1win n THR 135 Ca 0.03 -5.66 -0.21 0.00 -2.27 0.00 0.00 64.05 55.94 1win n THR 135 Cb 0.47 -1.77 -0.11 0.00 -2.10 0.00 0.00 70.33 66.82 1win n THR 135 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1win s GLN 136 N -3.26 1.26 0.03 -0.78 -0.21 -1.26 -5.15 119.66 110.29 1win s GLN 136 Ca 0.40 -1.42 0.05 0.00 0.02 0.00 0.00 55.36 54.41 1win s GLN 136 Cb 0.18 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 1win s GLN 136 CO -0.05 0.24 -0.11 -0.08 -2.12 0.00 0.00 175.29 173.18 1win s THR 137 N -2.23 3.34 -0.30 -0.19 -1.32 -1.26 -4.99 115.64 108.69 1win s THR 137 Ca 0.16 -0.98 -0.12 0.00 -1.21 0.00 0.00 61.69 59.53 1win s THR 137 Cb -0.05 -2.46 0.17 0.00 -1.51 0.00 0.00 72.50 68.65 1win s THR 137 CO 0.06 0.33 0.94 -0.94 -2.21 0.00 0.00 174.62 172.80 1win s SER 138 N -1.56 -0.67 -0.39 8.08 1.04 -1.26 -5.12 113.70 113.83 1win s SER 138 Ca 0.17 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.31 1win s SER 138 Cb -0.11 1.67 0.16 0.00 0.10 0.00 0.00 66.02 67.84 1win s SER 138 CO 0.08 -0.13 0.31 -0.83 0.98 0.00 0.00 173.24 173.65 1win s GLY 139 N 2.67 0.82 0.25 7.32 0.00 -1.26 -5.11 107.32 112.01 1win s GLY 139 Ca 0.01 -1.96 -0.30 0.00 0.00 0.00 0.00 44.72 42.47 1win s GLY 139 CO -0.16 2.24 1.27 2.56 0.00 0.00 0.00 173.10 179.01 1win s PRO 140 N 0.66 4.43 -0.28 2.90 0.04 -1.26 -5.03 135.00 136.46 1win s PRO 140 Ca 0.25 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 1win s PRO 140 Cb -0.10 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.38 1win s PRO 140 CO -0.09 -0.14 0.77 -1.54 0.04 0.00 0.00 177.00 176.04 1win s SER 141 N -0.14 -0.80 -0.38 6.66 1.04 -1.26 -5.11 113.70 113.71 1win s SER 141 Ca 0.52 1.33 -0.27 0.00 0.48 0.00 0.00 55.95 58.01 1win s SER 141 Cb -0.37 1.33 -0.05 0.00 0.10 0.00 0.00 66.02 67.04 1win s SER 141 CO 0.43 -0.21 2.25 -0.55 0.98 0.00 0.00 173.24 176.13 1win s SER 142 N 1.27 5.00 0.00 7.02 0.15 -1.26 -5.35 113.70 120.53 1win s SER 142 Ca -0.07 1.35 0.03 0.00 0.70 0.00 0.00 55.95 57.96 1win s SER 142 Cb -0.05 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1win s SER 142 CO -0.14 -2.40 0.59 0.61 1.20 0.00 0.00 173.24 173.10