#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnf s ARG 2 N 0.00 3.60 -0.01 2.12 3.52 -1.26 -2.28 118.95 124.64 1wnf s ARG 2 Ca 0.00 -0.51 0.08 0.00 -0.13 0.00 0.00 55.73 55.17 1wnf s ARG 2 Cb 0.00 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 1wnf s ARG 2 CO 0.00 -0.12 -0.26 0.42 -0.81 0.00 0.00 175.30 174.53 1wnf s ILE 3 N 1.38 2.07 -0.12 4.11 1.01 0.76 -1.14 121.20 129.28 1wnf s ILE 3 Ca 0.05 -1.16 -0.00 0.00 0.00 0.00 0.00 60.65 59.54 1wnf s ILE 3 Cb -0.15 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1wnf s ILE 3 CO 0.02 0.54 -0.12 -0.22 0.00 0.00 0.00 174.94 175.16 1wnf s LEU 4 N -0.73 2.81 -0.23 2.97 2.96 -0.80 -0.97 118.68 124.69 1wnf s LEU 4 Ca 0.10 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1wnf s LEU 4 Cb -0.10 -1.63 0.05 0.00 0.50 0.00 0.00 46.19 45.01 1wnf s LEU 4 CO -0.00 0.20 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.46 1wnf s ILE 5 N 0.15 2.11 -0.14 6.68 1.01 0.01 -0.76 121.20 130.26 1wnf s ILE 5 Ca -0.06 -1.40 -0.07 0.00 0.00 0.00 0.00 60.65 59.11 1wnf s ILE 5 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1wnf s ILE 5 CO 0.04 0.14 0.12 -0.76 0.00 0.00 0.00 174.94 174.49 1wnf s LEU 6 N 1.17 4.26 -0.09 2.97 1.43 -0.10 -0.32 118.68 128.00 1wnf s LEU 6 Ca -0.05 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1wnf s LEU 6 Cb -0.18 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1wnf s LEU 6 CO -0.07 0.33 0.14 -0.83 0.23 0.00 0.00 176.35 176.15 1wnf s GLY 7 N -0.57 2.14 0.00 -3.19 0.00 1.00 -1.30 107.32 105.39 1wnf s GLY 7 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1wnf s GLY 7 CO 0.02 -0.46 0.00 1.03 0.00 0.00 0.00 173.10 173.69 1wnf n MET 8 N 1.74 3.62 0.00 2.90 2.81 -0.22 -1.70 117.12 126.27 1wnf n MET 8 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1wnf n MET 8 Cb 0.54 -0.71 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 1wnf n MET 8 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wnf n GLY 9 N 1.62 0.28 0.00 3.03 0.00 -1.23 -1.28 105.19 107.62 1wnf n GLY 9 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1wnf n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnf n GLY 10 N 0.00 -0.57 0.37 -0.02 0.00 -0.24 -3.89 105.19 100.84 1wnf n GLY 10 Ca 0.00 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.36 1wnf n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wnf h THR 11 N 0.00 0.89 0.00 2.61 2.02 -1.82 0.62 112.91 117.23 1wnf h THR 11 Ca 0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1wnf h THR 11 Cb 0.00 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1wnf h THR 11 CO 0.00 0.15 -0.00 -0.29 0.37 0.00 0.00 175.52 175.75 1wnf h ILE 12 N 0.80 0.04 -0.34 3.11 2.10 -1.80 0.15 117.51 121.56 1wnf h ILE 12 Ca 0.44 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.38 1wnf h ILE 12 Cb 0.57 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 1wnf h ILE 12 CO -0.20 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 176.87 1wnf n ALA 13 N -2.10 2.30 -1.98 0.18 0.00 0.17 -4.40 120.51 114.69 1wnf n ALA 13 Ca -0.03 -1.31 -0.22 0.00 0.00 0.00 0.00 53.44 51.88 1wnf n ALA 13 Cb 0.07 -0.49 0.04 0.00 0.00 0.00 0.00 19.45 19.07 1wnf n ALA 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wnf s SER 14 N -1.13 5.24 -0.03 0.00 0.01 0.51 0.54 113.70 118.84 1wnf s SER 14 Ca 0.26 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.27 1wnf s SER 14 Cb 0.16 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.56 1wnf s SER 14 CO 0.15 -1.18 0.72 -0.69 0.41 0.00 0.00 173.24 172.65 1wnf s VAL 15 N -2.81 0.00 -0.07 3.43 1.01 -0.98 -4.58 120.40 116.40 1wnf s VAL 15 Ca 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1wnf s VAL 15 Cb -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1wnf s VAL 15 CO 0.39 0.00 1.26 -1.59 0.00 0.00 0.00 175.10 175.16 1wnf s LYS 16 N -1.68 4.31 -0.32 2.72 -2.85 -1.26 -1.60 119.74 119.05 1wnf s LYS 16 Ca -0.07 1.74 0.07 0.00 -1.00 0.00 0.00 55.97 56.71 1wnf s LYS 16 Cb -0.00 -3.62 0.47 0.00 -2.06 0.00 0.00 37.83 32.61 1wnf s LYS 16 CO 0.04 -0.54 1.38 0.41 0.10 0.00 0.00 175.35 176.74 1wnf n GLY 17 N 3.49 5.69 4.45 0.59 0.00 -0.74 -4.90 105.19 113.77 1wnf n GLY 17 Ca 0.12 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1wnf n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wnf n GLU 18 N -0.93 0.00 -0.94 1.61 4.07 -1.26 -4.58 120.64 118.61 1wnf n GLU 18 Ca 0.39 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.41 1wnf n GLU 18 Cb 0.90 -1.77 0.24 0.00 -0.06 0.00 0.00 31.44 30.75 1wnf n GLU 18 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1wnf n ARG 19 N -1.11 2.67 0.00 5.31 1.74 -1.26 -5.06 116.66 118.95 1wnf n ARG 19 Ca 0.00 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 1wnf n ARG 19 Cb 0.00 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1wnf n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wnf n GLY 20 N -0.76 -2.96 3.77 -0.13 0.00 -1.26 -4.92 105.19 98.93 1wnf n GLY 20 Ca 0.41 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1wnf n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wnf s TYR 21 N -0.78 2.84 -0.22 1.61 2.02 -1.26 -1.79 117.35 119.77 1wnf s TYR 21 Ca 0.00 1.51 -0.15 0.00 -0.37 0.00 0.00 57.07 58.06 1wnf s TYR 21 Cb 0.00 -3.44 0.06 0.00 -0.40 0.00 0.00 41.96 38.18 1wnf s TYR 21 CO 0.00 -1.65 0.56 -1.83 -1.57 0.00 0.00 175.55 171.06 1wnf s GLU 22 N -2.64 0.60 0.04 -0.62 -1.05 -0.63 -4.90 118.70 109.51 1wnf s GLU 22 Ca 0.63 0.94 -0.36 0.00 -0.15 0.00 0.00 54.97 56.03 1wnf s GLU 22 Cb -0.31 0.16 -0.15 0.00 -0.44 0.00 0.00 34.13 33.39 1wnf s GLU 22 CO 0.37 -0.13 1.50 -1.13 0.95 0.00 0.00 175.26 176.83 1wnf n SER 23 N 3.75 2.26 0.00 0.83 3.41 -1.26 -2.32 113.62 120.29 1wnf n SER 23 Ca -0.19 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1wnf n SER 23 Cb 0.57 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1wnf n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wnf n ALA 24 N 3.48 0.00 -2.84 7.33 0.00 0.19 -4.91 120.51 123.75 1wnf n ALA 24 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1wnf n ALA 24 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 1wnf n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wnf s LEU 25 N 0.00 4.14 0.59 0.00 1.02 -0.12 -5.04 118.68 119.27 1wnf s LEU 25 Ca 0.00 0.25 -0.04 0.00 0.02 0.00 0.00 54.13 54.36 1wnf s LEU 25 Cb 0.00 -2.42 0.02 0.00 0.02 0.00 0.00 46.19 43.81 1wnf s LEU 25 CO 0.00 0.27 0.88 -0.94 0.02 0.00 0.00 176.35 176.59 1wnf s SER 26 N -1.80 5.42 0.20 2.29 1.04 -1.26 -4.84 113.70 114.76 1wnf s SER 26 Ca 0.25 0.53 -0.10 0.00 0.48 0.00 0.00 55.95 57.10 1wnf s SER 26 Cb -0.12 -1.47 0.15 0.00 0.10 0.00 0.00 66.02 64.68 1wnf s SER 26 CO 0.16 -1.14 1.82 0.58 0.98 0.00 0.00 173.24 175.63 1wnf h VAL 27 N -0.16 1.23 -0.76 5.02 2.07 -1.96 -1.01 116.25 120.68 1wnf h VAL 27 Ca -0.45 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1wnf h VAL 27 Cb 1.27 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1wnf h VAL 27 CO 0.59 0.26 0.32 0.77 0.02 0.00 0.00 177.57 179.53 1wnf h SER 28 N 1.04 1.01 0.59 0.57 4.64 -1.94 -1.44 113.55 118.02 1wnf h SER 28 Ca 0.26 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 1wnf h SER 28 Cb 0.05 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1wnf h SER 28 CO -0.04 0.89 -0.59 0.11 -0.87 0.00 0.00 176.83 176.32 1wnf h LYS 29 N 1.09 0.01 -0.36 4.77 6.56 -1.88 -2.57 116.57 124.19 1wnf h LYS 29 Ca 0.26 -0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.78 1wnf h LYS 29 Cb 0.17 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.82 1wnf h LYS 29 CO -0.03 0.60 -0.01 0.82 -2.06 0.00 0.00 179.45 178.77 1wnf h ILE 30 N 0.00 1.26 -0.83 1.86 2.04 -0.56 -1.05 117.51 120.24 1wnf h ILE 30 Ca -0.01 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 1wnf h ILE 30 Cb 1.05 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1wnf h ILE 30 CO 0.08 0.34 0.38 -0.07 0.00 0.00 0.00 178.15 178.87 1wnf h LEU 31 N 0.45 1.11 -0.20 1.44 3.38 -1.16 -1.82 115.31 118.52 1wnf h LEU 31 Ca 0.10 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1wnf h LEU 31 Cb 0.48 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wnf h LEU 31 CO 0.02 0.96 -0.34 0.11 0.09 0.00 0.00 178.44 179.28 1wnf h LYS 32 N 1.20 0.58 0.00 1.13 1.57 -1.35 -1.44 116.57 118.27 1wnf h LYS 32 Ca 0.28 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1wnf h LYS 32 Cb 0.16 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1wnf h LYS 32 CO -0.03 0.97 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.68 1wnf h LEU 33 N 0.26 0.00 0.00 2.94 3.38 -1.05 -0.87 115.31 119.97 1wnf h LEU 33 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wnf h LEU 33 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1wnf h LEU 33 CO 0.08 0.07 -0.57 0.00 0.09 0.00 0.00 178.44 178.10 1wnf h ALA 34 N 1.93 0.71 -1.89 1.53 0.00 -1.15 -3.48 119.26 116.92 1wnf h ALA 34 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wnf h ALA 34 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wnf h ALA 34 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1wnf n GLY 35 N 1.15 0.45 3.08 0.00 0.00 -0.33 -4.88 105.19 104.66 1wnf n GLY 35 Ca 0.02 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1wnf n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnf s ILE 36 N -2.87 1.57 -0.30 -0.61 1.01 -0.61 -5.04 121.20 114.34 1wnf s ILE 36 Ca 0.00 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 1wnf s ILE 36 Cb 0.00 -1.41 0.18 0.00 0.01 0.00 0.00 42.46 41.23 1wnf s ILE 36 CO 0.00 0.45 1.17 -0.94 0.00 0.00 0.00 174.94 175.63 1wnf s SER 37 N 0.85 -0.14 0.35 3.58 1.04 -1.26 -4.52 113.70 113.60 1wnf s SER 37 Ca -0.09 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1wnf s SER 37 Cb -0.15 1.10 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1wnf s SER 37 CO 0.00 -0.03 0.00 0.00 0.98 0.00 0.00 173.24 174.20 1wnf n ALA 40 N 5.24 -1.59 -2.54 5.32 0.00 -1.26 -5.17 120.51 120.51 1wnf n ALA 40 Ca 0.02 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1wnf n ALA 40 Cb 0.57 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1wnf n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wnf s LYS 41 N -3.76 3.48 -0.24 0.00 -0.14 -0.97 -5.02 119.74 113.10 1wnf s LYS 41 Ca 0.00 -0.21 -0.02 0.00 -1.36 0.00 0.00 55.97 54.37 1wnf s LYS 41 Cb 0.00 -3.87 0.01 0.00 -1.68 0.00 0.00 37.83 32.29 1wnf s LYS 41 CO 0.00 -0.83 -0.06 0.42 -0.76 0.00 0.00 175.35 174.12 1wnf s ILE 42 N 2.64 3.00 -0.23 2.17 1.01 -1.26 -0.17 121.20 128.36 1wnf s ILE 42 Ca 0.22 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1wnf s ILE 42 Cb -0.15 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1wnf s ILE 42 CO 0.16 0.29 0.10 -0.70 0.00 0.00 0.00 174.94 174.79 1wnf s GLU 43 N 1.38 3.84 -0.14 2.79 2.12 -0.14 -5.00 118.70 123.54 1wnf s GLU 43 Ca 0.02 -0.39 -0.07 0.00 0.36 0.00 0.00 54.97 54.89 1wnf s GLU 43 Cb -0.16 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1wnf s GLU 43 CO -0.05 -0.03 0.11 0.00 -0.54 0.00 0.00 175.26 174.76 1wnf s ALA 44 N 1.22 3.71 -0.06 6.30 0.00 -1.26 -0.81 121.76 130.86 1wnf s ALA 44 Ca 0.05 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 1wnf s ALA 44 Cb -0.14 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.06 1wnf s ALA 44 CO 0.04 0.47 0.16 0.50 0.00 0.00 0.00 175.76 176.93 1wnf s ARG 45 N -0.57 0.16 -0.27 0.00 3.52 0.56 -4.89 118.95 117.47 1wnf s ARG 45 Ca 0.12 0.27 -0.12 0.00 -0.13 0.00 0.00 55.73 55.87 1wnf s ARG 45 Cb -0.12 0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.23 1wnf s ARG 45 CO 0.02 -0.07 0.26 -0.51 -0.81 0.00 0.00 175.30 174.19 1wnf s ASP 46 N 0.44 6.13 -0.10 -2.12 1.01 -1.26 -0.00 116.67 120.77 1wnf s ASP 46 Ca -0.03 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.36 1wnf s ASP 46 Cb -0.04 -2.15 -0.25 0.00 1.01 0.00 0.00 42.92 41.48 1wnf s ASP 46 CO -0.02 -0.08 0.46 0.18 0.21 0.00 0.00 175.17 175.92 1wnf n LEU 47 N 5.01 2.09 -3.67 1.23 4.77 -0.69 -4.87 117.00 120.87 1wnf n LEU 47 Ca -0.12 0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1wnf n LEU 47 Cb 0.52 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1wnf n LEU 47 CO 0.35 0.71 0.93 0.00 -1.33 0.00 0.00 177.39 178.05 1wnf s MET 48 N -2.57 0.70 -0.43 3.23 0.23 -1.12 -5.05 119.30 114.28 1wnf s MET 48 Ca -0.17 -0.39 0.04 0.00 -1.03 0.00 0.00 55.69 54.14 1wnf s MET 48 Cb 0.07 0.24 0.17 0.00 -1.53 0.00 0.00 34.83 33.78 1wnf s MET 48 CO 0.79 -0.32 0.34 1.21 -2.03 0.00 0.00 175.02 175.01 1wnf s ASN 49 N -2.96 1.83 -0.10 -1.18 2.47 -1.25 -3.42 114.94 110.32 1wnf s ASN 49 Ca 0.13 -3.07 -0.15 0.00 0.42 0.00 0.00 52.86 50.19 1wnf s ASN 49 Cb 0.02 -0.54 -0.05 0.00 -1.45 0.00 0.00 41.25 39.24 1wnf s ASN 49 CO -0.02 -0.17 0.38 -0.69 -3.72 0.00 0.00 177.10 172.88 1wnf s VAL 50 N 0.01 5.20 0.68 -5.21 1.01 -0.40 -4.84 120.40 116.85 1wnf s VAL 50 Ca 0.31 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 62.88 1wnf s VAL 50 Cb 0.01 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1wnf s VAL 50 CO -0.18 0.42 1.14 0.47 0.00 0.00 0.00 175.10 176.96 1wnf n ASP 51 N 3.13 1.32 -4.75 3.32 9.92 -1.26 -1.08 116.55 127.14 1wnf n ASP 51 Ca -0.11 0.75 -0.40 0.00 -0.53 0.00 0.00 54.79 54.50 1wnf n ASP 51 Cb 0.52 -1.49 0.02 0.00 -0.64 0.00 0.00 41.12 39.53 1wnf n ASP 51 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wnf n SER 52 N -1.85 3.14 0.00 -2.24 7.64 -1.26 -2.33 113.62 116.72 1wnf n SER 52 Ca 0.15 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1wnf n SER 52 Cb 0.49 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1wnf n SER 52 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wnf n THR 53 N -0.25 0.00 0.77 0.44 -2.24 -1.26 -4.90 114.28 106.84 1wnf n THR 53 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1wnf n THR 53 Cb 0.41 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.77 1wnf n THR 53 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wnf n LEU 54 N 0.00 3.09 -4.77 3.22 4.32 -0.98 -4.98 117.00 116.90 1wnf n LEU 54 Ca 0.00 -1.15 -0.41 0.00 -0.02 0.00 0.00 56.01 54.43 1wnf n LEU 54 Cb 0.00 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 41.72 1wnf n LEU 54 CO 0.00 0.57 1.13 -0.63 -1.22 0.00 0.00 177.39 177.23 1wnf s ILE 55 N -1.80 2.18 0.17 -0.08 -1.09 -1.26 -4.99 121.20 114.33 1wnf s ILE 55 Ca 0.30 0.17 0.08 0.00 -2.23 0.00 0.00 60.65 58.97 1wnf s ILE 55 Cb 0.20 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1wnf s ILE 55 CO 0.30 0.04 -0.16 0.00 -1.23 0.00 0.00 174.94 173.89 1wnf s GLN 56 N -1.76 1.24 0.31 2.79 -2.07 -1.26 -5.03 119.66 113.87 1wnf s GLN 56 Ca 0.54 -1.45 0.07 0.00 -1.82 0.00 0.00 55.36 52.70 1wnf s GLN 56 Cb -0.45 -1.13 0.82 0.00 -1.09 0.00 0.00 33.01 31.16 1wnf s GLN 56 CO 0.59 0.21 1.68 -1.35 -1.32 0.00 0.00 175.29 175.10 1wnf h PRO 57 N 3.01 0.36 -1.01 9.60 0.11 -1.99 0.37 132.00 142.44 1wnf h PRO 57 Ca -0.40 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 65.94 1wnf h PRO 57 Cb 1.21 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 1wnf h PRO 57 CO 0.56 0.24 0.65 1.03 -0.21 0.00 0.00 178.00 180.27 1wnf h SER 58 N 0.37 0.45 0.54 -2.05 0.87 -2.01 0.24 113.55 111.95 1wnf h SER 58 Ca 0.61 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 61.20 1wnf h SER 58 Cb 1.23 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1wnf h SER 58 CO -0.57 0.11 -0.21 0.44 -0.53 0.00 0.00 176.83 176.08 1wnf h ASP 59 N 0.41 0.00 -0.21 6.23 3.32 -0.66 -2.70 116.42 122.81 1wnf h ASP 59 Ca 0.56 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.48 1wnf h ASP 59 Cb 1.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1wnf h ASP 59 CO -0.27 0.21 -0.34 -0.50 -1.72 0.00 0.00 179.24 176.62 1wnf h TRP 60 N 0.00 0.85 0.18 4.55 6.55 -0.58 -1.72 115.95 125.77 1wnf h TRP 60 Ca -0.00 -0.23 -0.01 0.00 0.95 0.00 0.00 58.89 59.60 1wnf h TRP 60 Cb 0.53 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1wnf h TRP 60 CO 0.00 0.96 -0.09 1.49 -1.05 0.00 0.00 178.44 179.75 1wnf h GLU 61 N 0.61 -0.23 -0.74 0.49 4.81 -1.43 0.24 114.58 118.32 1wnf h GLU 61 Ca 0.06 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1wnf h GLU 61 Cb 0.86 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1wnf h GLU 61 CO 0.08 -0.05 0.44 -0.09 -0.73 0.00 0.00 179.01 178.66 1wnf h ARG 62 N -0.38 0.79 -0.24 1.92 9.65 -1.47 -1.00 114.38 123.64 1wnf h ARG 62 Ca -0.02 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 1wnf h ARG 62 Cb 0.30 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1wnf h ARG 62 CO 0.04 0.52 -0.01 1.25 2.80 0.00 0.00 179.97 184.58 1wnf h LEU 63 N 0.81 0.42 -0.56 3.80 6.46 -1.07 -2.23 115.31 122.94 1wnf h LEU 63 Ca 0.32 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1wnf h LEU 63 Cb 0.15 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1wnf h LEU 63 CO -0.17 0.64 0.37 0.00 -0.62 0.00 0.00 178.44 178.67 1wnf h ALA 64 N 0.80 0.72 -0.36 1.25 0.00 -0.10 -1.56 119.26 120.00 1wnf h ALA 64 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1wnf h ALA 64 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wnf h ALA 64 CO 0.01 0.15 -0.03 0.87 0.00 0.00 0.00 179.25 180.26 1wnf h LYS 65 N 0.76 0.58 -0.04 0.00 1.57 -1.15 -0.58 116.57 117.71 1wnf h LYS 65 Ca 0.21 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1wnf h LYS 65 Cb -0.08 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1wnf h LYS 65 CO -0.05 0.62 -0.00 1.49 -0.57 0.00 0.00 179.45 180.94 1wnf h GLU 66 N 0.55 0.07 -0.74 3.15 4.57 -0.89 -2.99 114.58 118.30 1wnf h GLU 66 Ca 0.11 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1wnf h GLU 66 Cb 0.39 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1wnf h GLU 66 CO 0.02 0.39 0.35 0.82 -1.18 0.00 0.00 179.01 179.41 1wnf h ILE 67 N -0.25 1.24 -0.93 2.32 2.04 -1.16 -2.92 117.51 117.85 1wnf h ILE 67 Ca 0.01 -0.69 0.13 0.00 1.00 0.00 0.00 64.86 65.31 1wnf h ILE 67 Cb 0.36 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1wnf h ILE 67 CO 0.00 0.29 0.59 -0.08 0.00 0.00 0.00 178.15 178.95 1wnf h GLU 68 N 1.04 0.80 -0.01 2.37 4.81 -1.04 0.18 114.58 122.73 1wnf h GLU 68 Ca 0.25 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1wnf h GLU 68 Cb 0.13 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1wnf h GLU 68 CO -0.03 0.53 -0.03 0.36 -0.73 0.00 0.00 179.01 179.10 1wnf n LYS 69 N -4.58 1.51 -0.00 1.92 2.85 -1.11 -3.88 118.16 114.88 1wnf n LYS 69 Ca 0.17 -0.85 0.01 0.00 -1.05 0.00 0.00 58.31 56.59 1wnf n LYS 69 Cb 0.40 -1.48 -0.01 0.00 -0.65 0.00 0.00 35.03 33.29 1wnf n LYS 69 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wnf n GLU 70 N -0.00 5.59 0.27 -1.58 -0.58 -0.44 -4.68 120.64 119.21 1wnf n GLU 70 Ca 0.18 -0.00 0.18 0.00 -0.42 0.00 0.00 57.16 57.10 1wnf n GLU 70 Cb 0.34 -0.65 0.92 0.00 -0.57 0.00 0.00 31.44 31.49 1wnf n GLU 70 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1wnf h VAL 71 N 0.00 0.34 -0.35 2.62 3.04 -0.81 -0.66 116.25 120.44 1wnf h VAL 71 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1wnf h VAL 71 Cb 0.05 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1wnf h VAL 71 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.57 177.35 1wnf n TRP 72 N -3.58 0.44 0.32 3.17 7.02 -1.26 -4.26 117.44 119.29 1wnf n TRP 72 Ca -0.01 -0.24 0.04 0.00 -1.02 0.00 0.00 57.50 56.27 1wnf n TRP 72 Cb 0.23 -0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.12 1wnf n TRP 72 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1wnf n GLU 73 N 1.40 2.23 -4.15 -0.99 -0.58 -0.27 -5.03 120.64 113.26 1wnf n GLU 73 Ca 0.18 -0.52 -0.11 0.00 -0.42 0.00 0.00 57.16 56.30 1wnf n GLU 73 Cb 0.58 -1.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.36 1wnf n GLU 73 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1wnf s TYR 74 N -1.10 0.82 -0.77 -0.32 2.02 -1.11 -4.98 117.35 111.91 1wnf s TYR 74 Ca 0.06 -0.86 0.24 0.00 -0.37 0.00 0.00 57.07 56.14 1wnf s TYR 74 Cb 0.06 -0.49 0.30 0.00 -0.40 0.00 0.00 41.96 41.43 1wnf s TYR 74 CO 0.18 -0.16 1.26 -0.25 -1.57 0.00 0.00 175.55 175.01 1wnf n ASP 75 N 0.22 0.61 -3.55 2.29 8.00 -0.29 -4.90 116.55 118.93 1wnf n ASP 75 Ca -0.14 -0.14 -0.09 0.00 0.71 0.00 0.00 54.79 55.12 1wnf n ASP 75 Cb 0.60 0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 42.06 1wnf n ASP 75 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1wnf s GLY 76 N -3.40 -0.36 -0.03 0.44 0.00 -1.23 -4.04 107.32 98.71 1wnf s GLY 76 Ca 0.07 1.56 0.02 0.00 0.00 0.00 0.00 44.72 46.36 1wnf s GLY 76 CO 0.74 0.70 -0.06 -0.42 0.00 0.00 0.00 173.10 174.07 1wnf s ILE 77 N -2.05 0.54 -0.01 0.90 1.01 -0.48 -1.90 121.20 119.22 1wnf s ILE 77 Ca 0.02 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1wnf s ILE 77 Cb -0.01 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1wnf s ILE 77 CO -0.03 0.20 -0.24 -0.69 0.00 0.00 0.00 174.94 174.18 1wnf s VAL 78 N 0.43 2.27 -0.13 2.92 1.01 0.07 -0.62 120.40 126.35 1wnf s VAL 78 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1wnf s VAL 78 Cb -0.09 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1wnf s VAL 78 CO 0.00 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1wnf s ILE 79 N -0.68 1.38 -0.17 2.22 1.01 -0.03 -0.92 121.20 124.01 1wnf s ILE 79 Ca 0.11 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 1wnf s ILE 79 Cb -0.10 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1wnf s ILE 79 CO 0.00 0.43 0.65 0.42 0.00 0.00 0.00 174.94 176.44 1wnf s THR 80 N 1.44 5.02 0.13 2.92 -4.23 -0.42 -0.93 115.64 119.57 1wnf s THR 80 Ca 0.02 1.26 -0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1wnf s THR 80 Cb -0.13 -3.97 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 1wnf s THR 80 CO -0.08 0.14 0.02 -2.28 -0.54 0.00 0.00 174.62 171.88 1wnf s HIS 81 N 1.69 0.89 0.50 3.99 5.04 0.52 -1.06 115.29 126.87 1wnf s HIS 81 Ca 0.31 -1.14 -0.20 0.00 -1.54 0.00 0.00 55.06 52.49 1wnf s HIS 81 Cb -0.16 -0.52 -0.08 0.00 0.04 0.00 0.00 32.58 31.86 1wnf s HIS 81 CO 0.12 -0.40 1.06 0.20 -2.34 0.00 0.00 174.74 173.38 1wnf s GLY 82 N -3.06 2.51 0.15 1.59 0.00 -1.25 -4.23 107.32 103.04 1wnf s GLY 82 Ca 0.20 0.64 -0.03 0.00 0.00 0.00 0.00 44.72 45.53 1wnf s GLY 82 CO -0.00 0.97 1.38 -0.91 0.00 0.00 0.00 173.10 174.53 1wnf h THR 83 N 1.42 1.38 -0.85 0.90 1.35 -1.94 -3.00 112.91 112.17 1wnf h THR 83 Ca -0.49 -2.24 0.19 0.00 -0.55 0.00 0.00 66.41 63.32 1wnf h THR 83 Cb 1.23 2.21 -0.11 0.00 -1.73 0.00 0.00 68.15 69.75 1wnf h THR 83 CO 0.58 0.67 0.35 0.44 -0.25 0.00 0.00 175.52 177.32 1wnf h ASP 84 N 0.28 0.29 -0.12 5.36 3.32 -1.97 -2.65 116.42 120.94 1wnf h ASP 84 Ca -0.05 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1wnf h ASP 84 Cb 1.41 0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1wnf h ASP 84 CO 0.14 0.03 0.00 0.35 -1.72 0.00 0.00 179.24 178.05 1wnf n THR 85 N -5.04 1.57 -0.22 0.35 -2.24 -1.25 -4.76 114.28 102.70 1wnf n THR 85 Ca 0.19 -1.60 -0.03 0.00 -2.27 0.00 0.00 64.05 60.34 1wnf n THR 85 Cb 0.56 0.10 0.07 0.00 -2.10 0.00 0.00 70.33 68.96 1wnf n THR 85 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1wnf h MET 86 N 0.76 0.68 -0.14 -0.78 -1.53 -1.31 -1.98 114.93 110.64 1wnf h MET 86 Ca 0.00 -0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.17 1wnf h MET 86 Cb 0.91 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.79 1wnf h MET 86 CO 0.05 0.45 -0.14 0.00 0.14 0.00 0.00 176.91 177.41 1wnf h ALA 87 N 1.30 1.51 -0.15 0.39 0.00 -1.86 -1.15 119.26 119.29 1wnf h ALA 87 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wnf h ALA 87 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wnf h ALA 87 CO -0.13 0.35 -0.01 1.88 0.00 0.00 0.00 179.25 181.33 1wnf h TYR 88 N 0.21 0.31 -0.24 0.00 0.05 -1.71 -2.03 116.97 113.56 1wnf h TYR 88 Ca 0.04 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1wnf h TYR 88 Cb 0.38 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1wnf h TYR 88 CO 0.01 0.52 0.10 0.77 -1.05 0.00 0.00 178.16 178.50 1wnf h SER 89 N 0.01 0.32 -0.48 3.88 0.02 -1.17 -0.72 113.55 115.40 1wnf h SER 89 Ca 0.04 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1wnf h SER 89 Cb 0.41 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1wnf h SER 89 CO 0.01 0.39 0.25 0.00 -1.14 0.00 0.00 176.83 176.35 1wnf h ALA 90 N 0.94 0.61 0.01 3.77 0.00 -1.23 -0.00 119.26 123.36 1wnf h ALA 90 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wnf h ALA 90 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wnf h ALA 90 CO -0.01 -0.09 -0.00 0.77 0.00 0.00 0.00 179.25 179.92 1wnf h SER 91 N 0.50 -0.01 -0.93 0.00 0.02 -1.28 -1.66 113.55 110.20 1wnf h SER 91 Ca 0.21 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1wnf h SER 91 Cb 0.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1wnf h SER 91 CO -0.14 0.27 0.62 -0.03 -1.14 0.00 0.00 176.83 176.41 1wnf h MET 92 N -0.28 1.22 -0.40 3.45 -1.53 -0.92 -1.22 114.93 115.25 1wnf h MET 92 Ca -0.00 -0.07 -0.07 0.00 -3.44 0.00 0.00 59.70 56.12 1wnf h MET 92 Cb 0.28 -0.27 -0.02 0.00 -0.55 0.00 0.00 31.60 31.03 1wnf h MET 92 CO 0.00 0.81 -0.03 -0.07 0.14 0.00 0.00 176.91 177.76 1wnf h LEU 93 N 1.25 0.63 -1.06 3.39 3.38 -0.92 -1.02 115.31 120.95 1wnf h LEU 93 Ca 0.34 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1wnf h LEU 93 Cb -0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1wnf h LEU 93 CO -0.08 0.72 0.13 0.28 0.09 0.00 0.00 178.44 179.58 1wnf h SER 94 N 0.62 0.74 0.49 -0.43 0.02 -0.25 0.27 113.55 115.01 1wnf h SER 94 Ca 0.12 -0.13 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 1wnf h SER 94 Cb 0.43 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1wnf h SER 94 CO 0.02 0.73 -1.08 -0.26 -1.14 0.00 0.00 176.83 175.10 1wnf h PHE 95 N 0.77 0.54 0.08 3.45 -1.00 -0.97 -3.35 116.94 116.46 1wnf h PHE 95 Ca 0.17 -0.34 -0.26 0.00 2.81 0.00 0.00 57.97 60.35 1wnf h PHE 95 Cb 0.28 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 39.81 1wnf h PHE 95 CO 0.02 1.20 -1.13 0.52 -1.61 0.00 0.00 178.31 177.31 1wnf h MET 96 N 0.15 0.39 -3.30 1.51 2.86 -0.87 -3.40 114.93 112.26 1wnf h MET 96 Ca -0.10 -0.53 -0.66 0.00 -2.06 0.00 0.00 59.70 56.35 1wnf h MET 96 Cb 1.76 0.18 -0.39 0.00 0.06 0.00 0.00 31.60 33.20 1wnf h MET 96 CO 0.18 1.20 -0.43 -0.51 1.06 0.00 0.00 176.91 178.41 1wnf s LEU 97 N -7.51 4.96 0.21 1.22 1.43 0.91 0.04 118.68 119.95 1wnf s LEU 97 Ca -0.06 -3.44 -0.22 0.00 -1.03 0.00 0.00 54.13 49.39 1wnf s LEU 97 Cb 0.07 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.47 1wnf s LEU 97 CO 0.89 -0.20 0.76 -0.13 0.23 0.00 0.00 176.35 177.89 1wnf s ARG 98 N -0.90 4.37 -1.18 1.70 0.52 -0.89 -4.11 118.95 118.46 1wnf s ARG 98 Ca 0.22 0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 56.40 1wnf s ARG 98 Cb -0.13 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.34 1wnf s ARG 98 CO -0.09 0.44 0.93 0.09 0.02 0.00 0.00 175.30 176.69 1wnf n ASN 99 N 0.97 -2.90 -4.76 0.23 3.02 -1.26 -2.52 115.26 108.04 1wnf n ASN 99 Ca -0.03 -0.68 -0.39 0.00 -0.03 0.00 0.00 54.58 53.45 1wnf n ASN 99 Cb 0.50 -4.94 0.03 0.00 -0.61 0.00 0.00 39.78 34.76 1wnf n ASN 99 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wnf s PRO 100 N -5.28 3.45 0.43 3.52 0.04 -1.26 -4.23 135.00 131.68 1wnf s PRO 100 Ca 0.10 2.35 0.24 0.00 0.04 0.00 0.00 61.00 63.73 1wnf s PRO 100 Cb -0.02 -2.49 0.53 0.00 0.04 0.00 0.00 34.50 32.57 1wnf s PRO 100 CO 0.75 -0.98 1.67 -1.00 0.04 0.00 0.00 177.00 177.48 1wnf h PRO 101 N 1.96 0.00 -5.23 0.56 0.13 -1.91 -3.39 132.00 124.11 1wnf h PRO 101 Ca -0.51 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.12 1wnf h PRO 101 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1wnf h PRO 101 CO 0.59 0.10 -0.59 0.96 -0.23 0.00 0.00 178.00 178.83 1wnf s ILE 102 N -3.29 1.18 -0.02 -3.56 -4.36 -1.26 -4.74 121.20 105.15 1wnf s ILE 102 Ca 0.05 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.14 1wnf s ILE 102 Cb 0.07 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 1wnf s ILE 102 CO 0.66 0.00 1.04 -2.84 0.24 0.00 0.00 174.94 174.03 1wnf s PRO 103 N -3.86 4.49 -0.19 0.37 0.02 -1.26 -2.88 135.00 131.70 1wnf s PRO 103 Ca 0.34 1.49 0.01 0.00 0.02 0.00 0.00 61.00 62.86 1wnf s PRO 103 Cb 0.08 -3.47 0.03 0.00 0.02 0.00 0.00 34.50 31.16 1wnf s PRO 103 CO 0.15 -0.17 -0.14 0.42 -0.33 0.00 0.00 177.00 176.93 1wnf s ILE 104 N 1.34 1.83 -0.08 2.83 1.01 -0.24 -1.38 121.20 126.51 1wnf s ILE 104 Ca 0.53 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1wnf s ILE 104 Cb -0.22 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1wnf s ILE 104 CO 0.25 0.31 -0.15 0.54 0.00 0.00 0.00 174.94 175.90 1wnf s VAL 105 N 1.34 1.37 0.02 2.92 0.11 0.21 -0.44 120.40 125.93 1wnf s VAL 105 Ca 0.01 -0.61 -0.08 0.00 -2.93 0.00 0.00 61.98 58.36 1wnf s VAL 105 Cb -0.15 -1.23 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 1wnf s VAL 105 CO -0.10 0.41 0.32 -0.76 -3.33 0.00 0.00 175.10 171.64 1wnf s LEU 106 N 0.63 4.38 0.25 2.54 1.02 0.81 -0.85 118.68 127.45 1wnf s LEU 106 Ca -0.15 0.67 -0.16 0.00 0.02 0.00 0.00 54.13 54.51 1wnf s LEU 106 Cb -0.16 -2.72 0.01 0.00 0.02 0.00 0.00 46.19 43.33 1wnf s LEU 106 CO 0.04 0.24 0.56 0.28 0.02 0.00 0.00 176.35 177.49 1wnf s THR 107 N -1.29 0.00 0.00 5.49 -1.32 -0.10 -1.16 115.64 117.26 1wnf s THR 107 Ca 0.28 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1wnf s THR 107 Cb -0.14 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.80 1wnf s THR 107 CO 0.16 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 1wnf n GLY 108 N -0.40 2.28 3.54 6.08 0.00 -1.26 -0.36 105.19 115.07 1wnf n GLY 108 Ca -0.04 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1wnf n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wnf s SER 109 N 2.00 -0.44 0.14 1.61 1.04 -1.26 -4.71 113.70 112.08 1wnf s SER 109 Ca 0.00 -0.13 0.20 0.00 0.48 0.00 0.00 55.95 56.50 1wnf s SER 109 Cb 0.00 0.56 -0.06 0.00 0.10 0.00 0.00 66.02 66.62 1wnf s SER 109 CO 0.00 -0.95 0.95 0.23 0.98 0.00 0.00 173.24 174.45 1wnf n MET 110 N -0.37 0.61 -4.49 4.02 2.81 -1.26 -4.41 117.12 114.03 1wnf n MET 110 Ca -0.12 0.17 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 1wnf n MET 110 Cb 0.63 -1.82 -0.14 0.00 -0.71 0.00 0.00 33.22 31.18 1wnf n MET 110 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wnf s LEU 111 N -5.54 2.08 0.77 4.03 1.43 -1.26 -5.04 118.68 115.15 1wnf s LEU 111 Ca -0.02 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 1wnf s LEU 111 Cb 0.09 -0.64 0.06 0.00 0.03 0.00 0.00 46.19 45.74 1wnf s LEU 111 CO 0.80 0.11 1.15 -2.16 0.23 0.00 0.00 176.35 176.47 1wnf s PRO 112 N -0.62 2.05 0.64 1.29 0.04 -1.26 -4.41 135.00 132.73 1wnf s PRO 112 Ca 0.04 1.50 0.40 0.00 0.04 0.00 0.00 61.00 62.97 1wnf s PRO 112 Cb -0.06 -1.85 2.16 0.00 0.04 0.00 0.00 34.50 34.79 1wnf s PRO 112 CO 0.00 -1.85 2.21 0.82 0.04 0.00 0.00 177.00 178.23 1wnf h ILE 113 N -0.77 0.00 0.00 0.56 2.04 -1.81 -2.20 117.51 115.33 1wnf h ILE 113 Ca -0.45 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.31 1wnf h ILE 113 Cb 1.26 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1wnf h ILE 113 CO 0.49 0.00 -0.47 0.71 0.00 0.00 0.00 178.15 178.88 1wnf h THR 114 N 0.00 0.88 -4.06 -0.27 1.35 -1.89 -3.46 112.91 105.45 1wnf h THR 114 Ca 0.00 -2.04 -0.46 0.00 -0.55 0.00 0.00 66.41 63.36 1wnf h THR 114 Cb 0.16 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1wnf h THR 114 CO 0.00 0.46 0.32 -1.61 -0.25 0.00 0.00 175.52 174.44 1wnf s GLU 115 N -3.13 4.04 0.55 4.72 8.01 -0.83 -5.03 118.70 127.02 1wnf s GLU 115 Ca 0.03 0.94 -0.18 0.00 0.01 0.00 0.00 54.97 55.77 1wnf s GLU 115 Cb 0.09 -2.20 -0.05 0.00 -4.31 0.00 0.00 34.13 27.65 1wnf s GLU 115 CO 0.73 -0.13 1.07 -1.59 0.01 0.00 0.00 175.26 175.34 1wnf s LYS 116 N -3.65 3.46 -1.53 1.61 -2.85 -1.26 -3.11 119.74 112.40 1wnf s LYS 116 Ca 0.59 1.34 0.00 0.00 -1.00 0.00 0.00 55.97 56.90 1wnf s LYS 116 Cb -0.10 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1wnf s LYS 116 CO 0.24 -0.71 0.00 0.09 0.10 0.00 0.00 175.35 175.06 1wnf n ASN 117 N -1.56 -4.90 -4.77 0.03 5.03 -1.26 -4.95 115.26 102.88 1wnf n ASN 117 Ca 0.10 0.15 -0.36 0.00 0.87 0.00 0.00 54.58 55.33 1wnf n ASN 117 Cb 0.52 -3.95 0.00 0.00 -1.02 0.00 0.00 39.78 35.34 1wnf n ASN 117 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1wnf s SER 118 N -2.49 5.86 0.00 6.41 0.15 -1.18 -4.94 113.70 117.52 1wnf s SER 118 Ca 0.00 2.32 0.25 0.00 0.70 0.00 0.00 55.95 59.22 1wnf s SER 118 Cb 0.00 -2.60 0.42 0.00 -1.71 0.00 0.00 66.02 62.13 1wnf s SER 118 CO 0.00 -1.13 1.37 -0.90 1.20 0.00 0.00 173.24 173.78 1wnf n ASP 119 N -0.88 2.10 0.12 5.45 5.75 -1.26 -4.55 116.55 123.28 1wnf n ASP 119 Ca 0.09 -1.59 -0.13 0.00 -0.01 0.00 0.00 54.79 53.16 1wnf n ASP 119 Cb 0.49 0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.67 1wnf n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wnf h ALA 120 N 4.25 -0.41 -0.61 2.12 0.00 -1.84 -1.56 119.26 121.21 1wnf h ALA 120 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1wnf h ALA 120 Cb 0.75 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1wnf h ALA 120 CO 0.00 -0.77 0.33 -1.35 0.00 0.00 0.00 179.25 177.46 1wnf h PRO 121 N -0.44 0.61 -0.37 0.00 0.11 -1.90 -0.11 132.00 129.90 1wnf h PRO 121 Ca 0.02 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1wnf h PRO 121 Cb 0.46 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1wnf h PRO 121 CO -0.12 0.40 0.20 0.35 -0.21 0.00 0.00 178.00 178.63 1wnf h PHE 122 N 0.63 0.38 -0.40 0.65 3.57 -1.81 0.15 116.94 120.11 1wnf h PHE 122 Ca 0.27 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 1wnf h PHE 122 Cb 0.15 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1wnf h PHE 122 CO -0.08 0.21 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.12 1wnf h ASN 123 N 0.42 0.76 -0.26 0.41 2.35 -0.81 -0.33 115.58 118.11 1wnf h ASN 123 Ca 0.15 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1wnf h ASN 123 Cb 0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1wnf h ASN 123 CO -0.09 0.93 0.03 -0.07 -1.65 0.00 0.00 177.43 176.59 1wnf h LEU 124 N 0.67 0.42 -0.55 1.61 -0.00 -0.70 -1.51 115.31 115.25 1wnf h LEU 124 Ca 0.10 -0.27 0.02 0.00 -0.00 0.00 0.00 57.88 57.74 1wnf h LEU 124 Cb 0.67 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 1wnf h LEU 124 CO 0.05 0.58 0.34 0.03 -0.00 0.00 0.00 178.44 179.44 1wnf h ARG 125 N 0.24 0.66 -0.64 1.13 3.08 -0.48 -1.41 114.38 116.95 1wnf h ARG 125 Ca 0.08 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1wnf h ARG 125 Cb 0.35 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1wnf h ARG 125 CO 0.01 0.43 0.11 1.15 -1.07 0.00 0.00 179.97 180.60 1wnf h THR 126 N 0.68 1.26 -0.22 2.04 2.02 -0.93 0.33 112.91 118.09 1wnf h THR 126 Ca 0.22 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1wnf h THR 126 Cb 0.01 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1wnf h THR 126 CO -0.09 0.38 0.10 0.00 0.37 0.00 0.00 175.52 176.28 1wnf h ALA 127 N 1.04 0.29 -0.46 6.16 0.00 -1.01 -0.64 119.26 124.63 1wnf h ALA 127 Ca 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1wnf h ALA 127 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1wnf h ALA 127 CO 0.01 -0.14 0.09 -0.07 0.00 0.00 0.00 179.25 179.14 1wnf h LEU 128 N 0.21 0.66 -0.50 0.00 3.38 -1.05 -0.57 115.31 117.44 1wnf h LEU 128 Ca 0.07 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1wnf h LEU 128 Cb 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wnf h LEU 128 CO -0.01 0.67 0.00 -0.08 0.09 0.00 0.00 178.44 179.11 1wnf h GLU 129 N 0.68 0.88 -0.42 1.13 4.81 -0.64 -2.94 114.58 118.08 1wnf h GLU 129 Ca 0.15 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 1wnf h GLU 129 Cb 0.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1wnf h GLU 129 CO 0.00 0.91 -0.19 0.35 -0.73 0.00 0.00 179.01 179.36 1wnf h PHE 130 N 0.74 1.00 0.00 0.92 3.04 -0.70 -2.99 116.94 118.95 1wnf h PHE 130 Ca 0.14 -0.24 -0.00 0.00 3.98 0.00 0.00 57.97 61.85 1wnf h PHE 130 Cb 0.52 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 1wnf h PHE 130 CO 0.04 1.02 -0.01 0.28 -2.02 0.00 0.00 178.31 177.61 1wnf h VAL 131 N 0.69 0.25 -0.00 1.41 2.07 -1.03 -0.32 116.25 119.32 1wnf h VAL 131 Ca 0.10 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1wnf h VAL 131 Cb 0.75 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1wnf h VAL 131 CO 0.06 0.01 -0.17 0.29 0.02 0.00 0.00 177.57 177.79 1wnf n LYS 132 N -3.42 0.33 0.00 1.57 4.01 -1.12 -3.64 118.16 115.89 1wnf n LYS 132 Ca -0.03 -0.11 0.14 0.00 -0.51 0.00 0.00 58.31 57.80 1wnf n LYS 132 Cb 0.10 -1.50 0.56 0.00 -0.51 0.00 0.00 35.03 33.69 1wnf n LYS 132 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1wnf n LEU 133 N -1.24 0.19 -2.02 -0.35 4.32 -0.13 -4.97 117.00 112.81 1wnf n LEU 133 Ca 0.10 0.27 -0.16 0.00 -0.02 0.00 0.00 56.01 56.20 1wnf n LEU 133 Cb 0.31 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1wnf n LEU 133 CO 0.27 0.04 -0.14 0.61 -1.22 0.00 0.00 177.39 176.96 1wnf n GLY 134 N 1.43 -0.28 3.30 -0.72 0.00 -1.24 -4.98 105.19 102.70 1wnf n GLY 134 Ca 0.09 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1wnf n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnf s ILE 135 N -2.88 4.91 0.77 -0.61 1.09 -1.26 -4.94 121.20 118.29 1wnf s ILE 135 Ca 0.08 -1.45 -0.14 0.00 -1.10 0.00 0.00 60.65 58.04 1wnf s ILE 135 Cb -0.03 -4.10 0.06 0.00 -1.06 0.00 0.00 42.46 37.33 1wnf s ILE 135 CO 0.10 -0.75 1.19 0.00 -0.10 0.00 0.00 174.94 175.37 1wnf s ARG 136 N 1.54 1.89 0.00 2.79 1.70 -1.26 -4.28 118.95 121.33 1wnf s ARG 136 Ca 0.04 1.67 0.00 0.00 -0.47 0.00 0.00 55.73 56.97 1wnf s ARG 136 Cb -0.27 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 32.29 1wnf s ARG 136 CO 0.03 -2.00 0.00 0.41 -1.08 0.00 0.00 175.30 172.66 1wnf n GLY 137 N 0.24 1.51 3.37 3.88 0.00 -1.14 -4.86 105.19 108.19 1wnf n GLY 137 Ca 0.13 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1wnf n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnf s ILE 138 N -1.27 3.54 0.36 -0.61 1.01 -1.26 -1.08 121.20 121.89 1wnf s ILE 138 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1wnf s ILE 138 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1wnf s ILE 138 CO 0.00 0.44 0.14 -0.31 0.00 0.00 0.00 174.94 175.21 1wnf s TYR 139 N 1.13 1.74 -0.09 3.97 1.51 0.41 -1.40 117.35 124.61 1wnf s TYR 139 Ca 0.02 -1.30 0.02 0.00 -1.01 0.00 0.00 57.07 54.79 1wnf s TYR 139 Cb -0.15 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1wnf s TYR 139 CO -0.00 -0.38 -0.14 0.42 -1.11 0.00 0.00 175.55 174.34 1wnf s ILE 140 N -3.38 1.34 -0.24 2.71 1.01 0.25 -0.13 121.20 122.77 1wnf s ILE 140 Ca 0.31 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1wnf s ILE 140 Cb 0.04 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1wnf s ILE 140 CO 0.17 0.41 0.02 0.00 0.00 0.00 0.00 174.94 175.54 1wnf s ALA 141 N 0.90 3.02 -0.21 9.38 0.00 -0.31 -0.71 121.76 133.83 1wnf s ALA 141 Ca -0.09 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 1wnf s ALA 141 Cb -0.15 -1.92 0.06 0.00 0.00 0.00 0.00 23.12 21.11 1wnf s ALA 141 CO 0.00 -0.44 0.54 0.12 0.00 0.00 0.00 175.76 175.98 1wnf s PHE 142 N 1.52 -0.67 -1.40 0.00 2.19 -0.01 -4.49 117.98 115.12 1wnf s PHE 142 Ca 0.06 1.52 -0.04 0.00 0.33 0.00 0.00 56.93 58.81 1wnf s PHE 142 Cb -0.15 0.28 0.00 0.00 -1.31 0.00 0.00 43.02 41.85 1wnf s PHE 142 CO 0.01 -0.34 0.37 -1.71 1.83 0.00 0.00 175.22 175.39 1wnf n ASN 143 N 3.33 -0.66 0.00 6.13 5.15 -1.26 -1.65 115.26 126.30 1wnf n ASN 143 Ca -0.17 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.73 1wnf n ASN 143 Cb 0.56 -2.70 0.00 0.00 -0.53 0.00 0.00 39.78 37.11 1wnf n ASN 143 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wnf n GLY 144 N -2.09 0.47 3.24 8.20 0.00 -1.26 -5.01 105.19 108.72 1wnf n GLY 144 Ca -0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1wnf n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wnf s LYS 145 N -0.29 1.00 -0.18 1.61 1.02 -0.66 -2.18 119.74 120.07 1wnf s LYS 145 Ca 0.00 -1.18 0.01 0.00 0.02 0.00 0.00 55.97 54.82 1wnf s LYS 145 Cb 0.00 -0.96 0.03 0.00 -0.52 0.00 0.00 37.83 36.38 1wnf s LYS 145 CO 0.00 0.20 -0.16 0.08 -0.92 0.00 0.00 175.35 174.54 1wnf s VAL 146 N -1.85 1.87 0.13 3.17 1.01 -0.19 -0.83 120.40 123.71 1wnf s VAL 146 Ca 0.07 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.24 1wnf s VAL 146 Cb -0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1wnf s VAL 146 CO 0.03 0.43 -0.21 -0.04 0.00 0.00 0.00 175.10 175.31 1wnf s MET 147 N 1.35 1.66 0.03 2.72 -1.94 0.11 -0.61 119.30 122.62 1wnf s MET 147 Ca 0.03 -1.26 -0.30 0.00 -1.71 0.00 0.00 55.69 52.45 1wnf s MET 147 Cb -0.14 -2.03 -0.07 0.00 2.01 0.00 0.00 34.83 34.60 1wnf s MET 147 CO -0.11 0.46 1.57 -1.17 -0.01 0.00 0.00 175.02 175.76 1wnf s LEU 148 N -2.19 4.34 0.28 -0.03 2.96 -1.26 -0.58 118.68 122.20 1wnf s LEU 148 Ca 0.17 2.32 0.01 0.00 -0.22 0.00 0.00 54.13 56.41 1wnf s LEU 148 Cb -0.10 -3.56 0.66 0.00 0.50 0.00 0.00 46.19 43.69 1wnf s LEU 148 CO 0.09 -0.83 1.67 1.23 -1.32 0.00 0.00 176.35 177.19 1wnf h GLY 149 N 8.71 1.34 1.01 7.98 0.00 -1.50 0.14 103.07 120.74 1wnf h GLY 149 Ca -0.40 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1wnf h GLY 149 CO 0.92 -0.29 0.00 1.55 0.00 0.00 0.00 176.54 178.72 1wnf n VAL 150 N -5.15 0.01 0.01 4.60 3.14 -1.26 -2.24 118.33 117.44 1wnf n VAL 150 Ca 0.20 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.58 1wnf n VAL 150 Cb 0.62 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 1wnf n VAL 150 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wnf n ARG 151 N -1.00 -0.06 -3.38 1.45 5.12 0.47 -4.60 116.66 114.67 1wnf n ARG 151 Ca 0.15 -0.74 -0.36 0.00 -1.93 0.00 0.00 57.85 54.97 1wnf n ARG 151 Cb 0.07 -1.01 -0.06 0.00 -1.16 0.00 0.00 32.46 30.31 1wnf n ARG 151 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wnf s ALA 152 N -0.25 3.60 -0.03 7.54 0.00 -0.95 -1.26 121.76 130.41 1wnf s ALA 152 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 1wnf s ALA 152 Cb 0.00 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1wnf s ALA 152 CO 0.00 0.46 0.13 -1.12 0.00 0.00 0.00 175.76 175.23 1wnf s SER 153 N -1.65 -0.07 -0.38 0.00 0.01 -0.87 -4.84 113.70 105.89 1wnf s SER 153 Ca 0.36 0.10 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 1wnf s SER 153 Cb -0.15 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.34 1wnf s SER 153 CO 0.19 -0.15 0.81 -0.75 0.41 0.00 0.00 173.24 173.75 1wnf s LYS 154 N -0.40 3.70 -0.00 12.44 2.20 -1.26 -1.80 119.74 134.62 1wnf s LYS 154 Ca -0.05 0.27 0.15 0.00 -0.36 0.00 0.00 55.97 55.98 1wnf s LYS 154 Cb -0.03 -3.84 -0.17 0.00 -1.51 0.00 0.00 37.83 32.28 1wnf s LYS 154 CO 0.00 -0.93 0.65 0.44 -0.36 0.00 0.00 175.35 175.16 1wnf n ILE 155 N 5.91 0.00 -4.72 5.43 -5.35 0.12 -4.96 119.36 115.78 1wnf n ILE 155 Ca 0.04 -0.14 -0.25 0.00 -0.27 0.00 0.00 62.75 62.13 1wnf n ILE 155 Cb 0.48 0.98 -0.15 0.00 -1.74 0.00 0.00 39.64 39.22 1wnf n ILE 155 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1wnf s ARG 156 N -2.47 1.39 0.00 6.28 0.52 -1.17 -5.04 118.95 118.46 1wnf s ARG 156 Ca 0.06 -0.79 0.17 0.00 -0.52 0.00 0.00 55.73 54.64 1wnf s ARG 156 Cb 0.12 -1.42 -0.00 0.00 0.52 0.00 0.00 34.95 34.17 1wnf s ARG 156 CO 0.63 0.37 0.88 -1.13 0.02 0.00 0.00 175.30 176.08 1wnf n SER 157 N 2.21 1.68 0.00 0.23 3.41 -1.26 -4.72 113.62 115.16 1wnf n SER 157 Ca -0.16 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1wnf n SER 157 Cb 0.54 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1wnf n SER 157 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1wnf n MET 158 N -0.11 0.00 -1.27 4.33 2.81 -1.26 -5.11 117.12 116.51 1wnf n MET 158 Ca 0.07 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.62 1wnf n MET 158 Cb 0.35 -0.18 0.11 0.00 -0.71 0.00 0.00 33.22 32.80 1wnf n MET 158 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wnf s GLY 159 N -4.72 2.29 0.54 3.03 0.00 -1.26 -4.92 107.32 102.29 1wnf s GLY 159 Ca 0.00 0.90 0.21 0.00 0.00 0.00 0.00 44.72 45.83 1wnf s GLY 159 CO 0.00 1.32 2.18 0.74 0.00 0.00 0.00 173.10 177.34 1wnf h PHE 160 N -0.58 0.00 -1.62 1.90 -1.00 -1.99 -3.14 116.94 110.51 1wnf h PHE 160 Ca -0.47 0.00 -0.77 0.00 2.81 0.00 0.00 57.97 59.54 1wnf h PHE 160 Cb 1.30 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.68 1wnf h PHE 160 CO 0.46 0.01 1.86 -3.47 -1.61 0.00 0.00 178.31 175.56 1wnf n ASP 161 N -4.27 7.57 0.23 2.17 2.03 -1.26 -4.50 116.55 118.53 1wnf n ASP 161 Ca -0.03 -3.34 0.12 0.00 0.52 0.00 0.00 54.79 52.06 1wnf n ASP 161 Cb 0.09 -1.30 0.40 0.00 -0.72 0.00 0.00 41.12 39.60 1wnf n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wnf h ALA 162 N 4.57 0.97 -4.05 -1.67 0.00 -1.83 -3.43 119.26 113.83 1wnf h ALA 162 Ca 0.61 -0.11 -0.69 0.00 0.00 0.00 0.00 54.91 54.72 1wnf h ALA 162 Cb 0.34 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.88 1wnf h ALA 162 CO 1.38 0.15 -0.80 -0.06 0.00 0.00 0.00 179.25 179.92 1wnf s PHE 163 N -3.45 2.61 -0.01 0.00 0.08 -1.26 -0.70 117.98 115.24 1wnf s PHE 163 Ca 0.03 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 1wnf s PHE 163 Cb 0.08 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1wnf s PHE 163 CO 0.63 0.20 0.06 -2.00 -0.10 0.00 0.00 175.22 174.01 1wnf s GLU 164 N -1.08 0.17 -0.50 0.44 2.12 -0.74 -4.96 118.70 114.15 1wnf s GLU 164 Ca 0.13 -0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.10 1wnf s GLU 164 Cb -0.11 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.39 1wnf s GLU 164 CO 0.03 -0.03 1.06 0.45 -0.54 0.00 0.00 175.26 176.23 1wnf s SER 165 N -0.41 6.52 -0.21 -1.70 0.15 -1.26 -2.06 113.70 114.74 1wnf s SER 165 Ca -0.05 0.20 -0.20 0.00 0.70 0.00 0.00 55.95 56.60 1wnf s SER 165 Cb -0.03 -2.51 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1wnf s SER 165 CO 0.00 -1.23 0.61 -0.63 1.20 0.00 0.00 173.24 173.19 1wnf s ILE 166 N 4.28 5.03 -1.73 6.45 1.01 -0.39 -4.12 121.20 131.74 1wnf s ILE 166 Ca 0.42 1.13 0.00 0.00 0.00 0.00 0.00 60.65 62.20 1wnf s ILE 166 Cb -0.09 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1wnf s ILE 166 CO 0.28 0.11 0.00 0.59 0.00 0.00 0.00 174.94 175.92 1wnf n ASN 167 N 5.09 -5.26 -3.58 3.58 5.03 -1.26 -4.92 115.26 113.95 1wnf n ASN 167 Ca -0.02 0.19 -0.16 0.00 0.87 0.00 0.00 54.58 55.46 1wnf n ASN 167 Cb 0.50 -4.34 -0.07 0.00 -1.02 0.00 0.00 39.78 34.85 1wnf n ASN 167 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1wnf s TYR 168 N -2.81 -0.69 0.37 3.10 5.04 -1.26 -5.00 117.35 116.12 1wnf s TYR 168 Ca 0.00 1.40 -0.21 0.00 -2.44 0.00 0.00 57.07 55.82 1wnf s TYR 168 Cb 0.00 0.34 -0.10 0.00 0.35 0.00 0.00 41.96 42.55 1wnf s TYR 168 CO 0.00 -0.50 0.90 -1.25 -1.34 0.00 0.00 175.55 173.35 1wnf s PRO 169 N -0.56 4.27 0.52 4.97 0.04 -1.26 -4.70 135.00 138.27 1wnf s PRO 169 Ca -0.07 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.83 1wnf s PRO 169 Cb -0.02 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 1wnf s PRO 169 CO 0.06 0.10 0.91 0.09 0.04 0.00 0.00 177.00 178.21 1wnf n ASN 170 N -0.23 0.70 0.01 6.66 5.03 -1.26 -4.83 115.26 121.33 1wnf n ASN 170 Ca 0.05 0.89 -0.10 0.00 0.87 0.00 0.00 54.58 56.29 1wnf n ASN 170 Cb 0.53 -1.34 -0.14 0.00 -1.02 0.00 0.00 39.78 37.81 1wnf n ASN 170 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1wnf h VAL 171 N 0.91 1.08 -2.62 2.41 2.07 -1.14 -3.41 116.25 115.55 1wnf h VAL 171 Ca -0.46 -2.86 -0.10 0.00 0.82 0.00 0.00 66.70 64.10 1wnf h VAL 171 Cb 1.36 2.57 -0.21 0.00 -1.52 0.00 0.00 31.29 33.49 1wnf h VAL 171 CO 0.53 0.67 -0.11 0.00 0.02 0.00 0.00 177.57 178.68 1wnf s ALA 172 N -2.62 -1.17 0.03 1.67 0.00 -0.98 -1.42 121.76 117.27 1wnf s ALA 172 Ca -0.05 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 1wnf s ALA 172 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1wnf s ALA 172 CO 0.82 -0.28 0.03 -1.21 0.00 0.00 0.00 175.76 175.12 1wnf s GLU 173 N -0.86 0.51 -0.22 0.00 2.02 -0.18 -1.02 118.70 118.95 1wnf s GLU 173 Ca -0.09 -0.82 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 1wnf s GLU 173 Cb -0.03 0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 1wnf s GLU 173 CO 0.05 -0.11 0.62 0.42 0.02 0.00 0.00 175.26 176.26 1wnf s ILE 174 N -2.55 5.02 -0.05 -1.63 1.01 -0.93 0.40 121.20 122.47 1wnf s ILE 174 Ca -0.06 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.73 1wnf s ILE 174 Cb -0.02 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.55 1wnf s ILE 174 CO -0.05 0.09 0.02 -0.54 0.00 0.00 0.00 174.94 174.46 1wnf s LYS 175 N 2.10 0.28 -1.03 2.79 1.02 0.38 -4.81 119.74 120.47 1wnf s LYS 175 Ca 0.27 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.42 1wnf s LYS 175 Cb -0.16 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.48 1wnf s LYS 175 CO 0.10 -0.27 0.89 -0.25 -0.92 0.00 0.00 175.35 174.89 1wnf n ASP 176 N 4.95 -4.03 -2.97 2.83 10.43 -1.26 -2.89 116.55 123.61 1wnf n ASP 176 Ca -0.10 -0.46 -0.22 0.00 2.57 0.00 0.00 54.79 56.57 1wnf n ASP 176 Cb 0.50 -4.16 0.03 0.00 1.84 0.00 0.00 41.12 39.33 1wnf n ASP 176 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1wnf n ASP 177 N -2.36 -5.96 -3.71 -2.24 8.00 -1.26 -5.00 116.55 104.01 1wnf n ASP 177 Ca -0.09 -0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.01 1wnf n ASP 177 Cb 0.59 -4.84 -0.09 0.00 -0.02 0.00 0.00 41.12 36.76 1wnf n ASP 177 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1wnf s LYS 178 N -5.65 0.64 -0.39 -1.24 2.47 -1.14 -5.12 119.74 109.32 1wnf s LYS 178 Ca 0.27 0.23 -0.29 0.00 -1.56 0.00 0.00 55.97 54.63 1wnf s LYS 178 Cb -0.12 0.30 0.01 0.00 -1.46 0.00 0.00 37.83 36.56 1wnf s LYS 178 CO 0.34 -0.14 1.35 -1.17 0.16 0.00 0.00 175.35 175.89 1wnf s LEU 179 N -0.59 3.68 -0.16 5.43 0.20 -1.26 -0.47 118.68 125.51 1wnf s LEU 179 Ca -0.07 0.90 -0.07 0.00 0.69 0.00 0.00 54.13 55.59 1wnf s LEU 179 Cb -0.04 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.14 1wnf s LEU 179 CO 0.03 -1.31 0.07 -0.13 -0.29 0.00 0.00 176.35 174.72 1wnf s ARG 180 N 4.67 3.78 -0.13 1.98 3.00 0.16 -4.93 118.95 127.49 1wnf s ARG 180 Ca 0.59 -0.31 -0.27 0.00 0.00 0.00 0.00 55.73 55.73 1wnf s ARG 180 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 34.95 31.63 1wnf s ARG 180 CO 0.30 0.41 0.90 0.42 0.00 0.00 0.00 175.30 177.33 1wnf s ILE 181 N -0.00 4.85 -0.05 1.52 1.01 -1.26 -1.01 121.20 126.26 1wnf s ILE 181 Ca 0.06 1.82 0.07 0.00 0.00 0.00 0.00 60.65 62.60 1wnf s ILE 181 Cb -0.12 -4.21 -0.24 0.00 0.01 0.00 0.00 42.46 37.90 1wnf s ILE 181 CO 0.01 0.04 0.63 -0.07 0.00 0.00 0.00 174.94 175.55 1wnf h LEU 182 N 8.02 0.11 -7.00 2.97 4.07 -1.51 -3.49 115.31 118.49 1wnf h LEU 182 Ca -0.31 -0.24 0.16 0.00 0.08 0.00 0.00 57.88 57.57 1wnf h LEU 182 Cb 1.15 -0.04 -0.27 0.00 1.08 0.00 0.00 40.66 42.58 1wnf h LEU 182 CO 0.84 1.21 0.74 -1.38 -1.08 0.00 0.00 178.44 178.77 1wnf s HIS 183 N -2.59 -0.20 -0.29 1.13 -3.43 -1.22 -5.06 115.29 103.62 1wnf s HIS 183 Ca -0.08 0.42 -0.11 0.00 -0.80 0.00 0.00 55.06 54.48 1wnf s HIS 183 Cb 0.08 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.64 1wnf s HIS 183 CO 0.81 -0.15 0.19 0.42 -2.00 0.00 0.00 174.74 174.02 1wnf s ILE 184 N -0.59 5.24 0.17 -5.38 1.01 -1.26 -4.71 121.20 115.68 1wnf s ILE 184 Ca 0.05 0.07 -0.32 0.00 0.00 0.00 0.00 60.65 60.45 1wnf s ILE 184 Cb -0.02 -3.54 -0.11 0.00 0.01 0.00 0.00 42.46 38.80 1wnf s ILE 184 CO -0.07 0.20 1.78 -0.81 0.00 0.00 0.00 174.94 176.04 1wnf n PRO 185 N 5.06 2.81 -2.46 2.79 -0.04 -1.26 -4.92 135.00 136.98 1wnf n PRO 185 Ca -0.14 1.02 -0.25 0.00 -0.04 0.00 0.00 63.50 64.09 1wnf n PRO 185 Cb 0.51 -2.89 0.01 0.00 -0.04 0.00 0.00 33.50 31.09 1wnf n PRO 185 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wnf n ASP 186 N 4.78 4.39 -0.23 3.54 3.85 -1.26 -4.74 116.55 126.88 1wnf n ASP 186 Ca 0.17 -3.61 0.07 0.00 -0.71 0.00 0.00 54.79 50.71 1wnf n ASP 186 Cb 0.36 -0.46 0.12 0.00 -1.35 0.00 0.00 41.12 39.80 1wnf n ASP 186 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.20 178.41 1wnf n PHE 187 N -0.46 0.19 -3.34 2.11 1.16 -1.26 -5.02 117.46 110.83 1wnf n PHE 187 Ca 0.36 -0.80 -0.38 0.00 -1.87 0.00 0.00 57.45 54.76 1wnf n PHE 187 Cb 0.71 -0.14 -0.06 0.00 -1.61 0.00 0.00 39.48 38.38 1wnf n PHE 187 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1wnf s TYR 188 N -2.18 3.78 0.00 2.97 1.51 -1.26 -4.92 117.35 117.24 1wnf s TYR 188 Ca 0.24 1.18 0.00 0.00 -1.01 0.00 0.00 57.07 57.48 1wnf s TYR 188 Cb 0.20 -2.44 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1wnf s TYR 188 CO 0.04 0.59 0.00 0.41 -1.11 0.00 0.00 175.55 175.48 1wnf n GLY 189 N 1.80 0.62 0.10 0.71 0.00 -1.26 -5.07 105.19 102.08 1wnf n GLY 189 Ca -0.11 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 43.87 1wnf n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wnf n ASP 190 N -0.28 1.86 -4.71 1.61 10.43 -1.26 -4.92 116.55 119.28 1wnf n ASP 190 Ca 0.00 0.45 -0.42 0.00 2.57 0.00 0.00 54.79 57.39 1wnf n ASP 190 Cb 0.00 -0.92 -0.03 0.00 1.84 0.00 0.00 41.12 42.01 1wnf n ASP 190 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1wnf s GLU 191 N -2.37 4.36 -0.39 -1.24 2.12 -1.26 -5.00 118.70 114.90 1wnf s GLU 191 Ca -0.27 1.90 -0.19 0.00 0.36 0.00 0.00 54.97 56.77 1wnf s GLU 191 Cb 0.06 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1wnf s GLU 191 CO 0.50 -0.40 0.55 0.12 -0.54 0.00 0.00 175.26 175.48 1wnf s PHE 192 N 1.50 3.14 0.04 5.30 2.19 -1.26 -4.57 117.98 124.31 1wnf s PHE 192 Ca 0.61 0.00 0.08 0.00 0.33 0.00 0.00 56.93 57.95 1wnf s PHE 192 Cb -0.32 -3.07 -0.02 0.00 -1.31 0.00 0.00 43.02 38.30 1wnf s PHE 192 CO 0.28 -0.68 -0.22 -0.59 1.83 0.00 0.00 175.22 175.84 1wnf s PHE 193 N 2.50 1.92 -0.19 10.12 -0.00 -1.05 -5.00 117.98 126.28 1wnf s PHE 193 Ca 0.19 -0.38 -0.04 0.00 -0.00 0.00 0.00 56.93 56.70 1wnf s PHE 193 Cb -0.15 -1.15 -0.02 0.00 -0.00 0.00 0.00 43.02 41.69 1wnf s PHE 193 CO 0.15 0.08 -0.04 -1.54 -0.00 0.00 0.00 175.22 173.88 1wnf s SER 194 N -1.10 4.55 -0.63 1.98 1.04 -1.26 -2.10 113.70 116.19 1wnf s SER 194 Ca 0.08 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.31 1wnf s SER 194 Cb -0.09 -1.76 0.21 0.00 0.10 0.00 0.00 66.02 64.48 1wnf s SER 194 CO 0.01 0.08 0.58 0.47 0.98 0.00 0.00 173.24 175.36 1wnf n ASP 195 N 4.14 2.75 -3.66 7.02 8.00 0.11 -4.99 116.55 129.91 1wnf n ASP 195 Ca -0.18 -3.18 -0.41 0.00 0.71 0.00 0.00 54.79 51.73 1wnf n ASP 195 Cb 0.52 -0.70 -0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1wnf n ASP 195 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1wnf n ILE 196 N 1.57 4.11 -3.81 0.53 5.41 -1.26 -4.44 119.36 121.47 1wnf n ILE 196 Ca 0.25 -3.53 -0.14 0.00 1.00 0.00 0.00 62.75 60.33 1wnf n ILE 196 Cb 0.40 -2.47 -0.15 0.00 -0.71 0.00 0.00 39.64 36.71 1wnf n ILE 196 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1wnf s LYS 197 N 1.60 -0.01 0.23 0.38 2.20 -1.26 -5.05 119.74 117.83 1wnf s LYS 197 Ca 0.50 0.12 -0.22 0.00 -0.36 0.00 0.00 55.97 56.00 1wnf s LYS 197 Cb 0.14 -0.13 0.04 0.00 -1.51 0.00 0.00 37.83 36.38 1wnf s LYS 197 CO -0.06 -0.09 0.85 1.52 -0.36 0.00 0.00 175.35 177.21 1wnf s TYR 198 N 0.59 -0.12 -0.29 4.03 1.13 -1.26 -4.64 117.35 116.78 1wnf s TYR 198 Ca -0.05 -0.29 0.02 0.00 -1.41 0.00 0.00 57.07 55.34 1wnf s TYR 198 Cb -0.07 0.69 0.09 0.00 -1.10 0.00 0.00 41.96 41.57 1wnf s TYR 198 CO -0.02 -1.07 0.02 -2.00 -2.51 0.00 0.00 175.55 169.97 1wnf s GLU 199 N -3.41 1.36 0.47 -3.49 2.56 0.28 -4.61 118.70 111.85 1wnf s GLU 199 Ca 0.13 -1.36 0.26 0.00 0.00 0.00 0.00 54.97 53.99 1wnf s GLU 199 Cb -0.04 -2.67 1.04 0.00 2.00 0.00 0.00 34.13 34.46 1wnf s GLU 199 CO 0.05 -0.83 1.87 -1.00 -0.56 0.00 0.00 175.26 174.80 1wnf h PRO 200 N 7.85 0.00 -5.23 4.30 0.13 -1.97 -3.40 132.00 133.68 1wnf h PRO 200 Ca -0.12 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.34 1wnf h PRO 200 Cb 1.04 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.10 1wnf h PRO 200 CO 0.47 0.18 2.46 1.17 -0.23 0.00 0.00 178.00 182.06 1wnf n LYS 201 N -3.37 2.99 -4.45 0.86 4.81 -1.26 -4.91 118.16 112.83 1wnf n LYS 201 Ca -0.00 -3.00 -0.23 0.00 -0.87 0.00 0.00 58.31 54.20 1wnf n LYS 201 Cb 0.39 -3.43 -0.10 0.00 0.02 0.00 0.00 35.03 31.91 1wnf n LYS 201 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1wnf s VAL 202 N 4.17 2.34 -0.04 3.15 -7.23 -1.26 -1.14 120.40 120.39 1wnf s VAL 202 Ca 0.52 -2.37 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1wnf s VAL 202 Cb 0.07 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1wnf s VAL 202 CO 0.03 -0.43 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.96 1wnf s LEU 203 N -3.48 1.99 -0.26 1.32 2.96 -0.80 -4.99 118.68 115.43 1wnf s LEU 203 Ca 0.29 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1wnf s LEU 203 Cb -0.04 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.58 1wnf s LEU 203 CO 0.14 0.21 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.63 1wnf s VAL 204 N -0.18 2.83 -0.02 1.68 1.01 -1.26 -0.03 120.40 124.43 1wnf s VAL 204 Ca 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 60.89 1wnf s VAL 204 Cb -0.11 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1wnf s VAL 204 CO 0.02 0.13 -0.16 -0.63 0.00 0.00 0.00 175.10 174.45 1wnf s ILE 205 N 1.29 2.95 -0.04 2.22 1.01 -0.18 -4.99 121.20 123.46 1wnf s ILE 205 Ca -0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 1wnf s ILE 205 Cb -0.17 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1wnf s ILE 205 CO -0.04 0.51 0.40 -0.75 0.00 0.00 0.00 174.94 175.05 1wnf s LYS 206 N -0.97 4.02 -0.18 2.79 2.20 -1.26 0.28 119.74 126.62 1wnf s LYS 206 Ca 0.13 0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 55.83 1wnf s LYS 206 Cb -0.11 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1wnf s LYS 206 CO 0.02 0.55 0.92 -0.51 -0.36 0.00 0.00 175.35 175.97 1wnf s LEU 207 N -0.59 4.16 0.13 5.43 1.02 0.33 -4.84 118.68 124.32 1wnf s LEU 207 Ca 0.23 1.29 0.08 0.00 0.02 0.00 0.00 54.13 55.74 1wnf s LEU 207 Cb -0.16 -3.38 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 1wnf s LEU 207 CO 0.11 -0.49 -0.18 0.27 0.02 0.00 0.00 176.35 176.08 1wnf s ILE 208 N 2.46 1.65 0.20 -0.59 -4.36 -1.26 -4.86 121.20 114.43 1wnf s ILE 208 Ca 0.41 -1.73 -0.33 0.00 -0.26 0.00 0.00 60.65 58.75 1wnf s ILE 208 Cb -0.16 -1.65 -0.13 0.00 1.25 0.00 0.00 42.46 41.77 1wnf s ILE 208 CO 0.11 -0.25 1.67 -0.81 0.24 0.00 0.00 174.94 175.90 1wnf n PRO 209 N 0.64 2.58 -0.01 0.37 -0.04 -1.26 -1.71 135.00 135.56 1wnf n PRO 209 Ca -0.16 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1wnf n PRO 209 Cb 0.56 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1wnf n PRO 209 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wnf n GLY 210 N 3.73 0.81 3.67 0.55 0.00 -1.26 -5.04 105.19 107.65 1wnf n GLY 210 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 1wnf n GLY 210 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wnf n LEU 211 N 0.00 3.05 -4.98 0.99 -0.00 -0.69 -4.96 117.00 110.40 1wnf n LEU 211 Ca 0.00 1.10 -0.21 0.00 -0.00 0.00 0.00 56.01 56.91 1wnf n LEU 211 Cb 0.00 -1.42 0.01 0.00 -0.00 0.00 0.00 43.42 42.01 1wnf n LEU 211 CO 0.00 -0.38 0.19 -0.55 -0.00 0.00 0.00 177.39 176.65 1wnf s SER 212 N 0.71 5.81 0.00 1.96 0.15 -1.26 -4.50 113.70 116.56 1wnf s SER 212 Ca 0.76 -0.01 0.27 0.00 0.70 0.00 0.00 55.95 57.67 1wnf s SER 212 Cb -0.68 -1.26 0.93 0.00 -1.71 0.00 0.00 66.02 63.31 1wnf s SER 212 CO 0.42 -0.64 1.68 0.61 1.20 0.00 0.00 173.24 176.50 1wnf n GLY 213 N -1.90 -0.68 0.36 9.45 0.00 -1.26 -4.19 105.19 106.97 1wnf n GLY 213 Ca 0.02 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1wnf n GLY 213 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wnf h ASP 214 N 1.06 0.87 -0.07 1.61 -0.00 -1.95 -0.45 116.42 117.49 1wnf h ASP 214 Ca 0.00 0.05 -0.10 0.00 -0.00 0.00 0.00 57.03 56.98 1wnf h ASP 214 Cb 0.46 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.65 1wnf h ASP 214 CO 0.00 0.45 -0.26 -0.29 -0.00 0.00 0.00 179.24 179.14 1wnf h ILE 215 N 0.92 1.27 -0.28 4.15 6.09 -1.99 -0.89 117.51 126.78 1wnf h ILE 215 Ca 0.49 -1.30 -0.07 0.00 -1.37 0.00 0.00 64.86 62.61 1wnf h ILE 215 Cb 0.55 1.36 -0.01 0.00 0.47 0.00 0.00 36.82 39.19 1wnf h ILE 215 CO -0.26 0.41 -0.11 0.58 -3.07 0.00 0.00 178.15 175.71 1wnf h VAL 216 N 0.44 1.29 -0.79 2.19 2.07 -1.39 -0.44 116.25 119.62 1wnf h VAL 216 Ca 0.06 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1wnf h VAL 216 Cb 0.69 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1wnf h VAL 216 CO 0.05 0.37 0.37 -0.09 0.02 0.00 0.00 177.57 178.29 1wnf h ARG 217 N 0.32 1.14 -0.15 1.57 2.43 -1.02 -2.32 114.38 116.37 1wnf h ARG 217 Ca 0.07 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1wnf h ARG 217 Cb 0.61 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1wnf h ARG 217 CO 0.04 0.89 -0.33 1.49 -1.51 0.00 0.00 179.97 180.55 1wnf h GLU 218 N 1.13 0.29 -0.48 0.20 4.57 -0.93 -2.52 114.58 116.84 1wnf h GLU 218 Ca 0.27 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1wnf h GLU 218 Cb 0.13 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1wnf h GLU 218 CO -0.03 0.59 -0.07 0.00 -1.18 0.00 0.00 179.01 178.31 1wnf h ALA 219 N 1.41 0.97 -0.46 2.92 0.00 -0.54 0.40 119.26 123.96 1wnf h ALA 219 Ca 0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1wnf h ALA 219 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1wnf h ALA 219 CO 0.05 0.61 0.03 1.25 0.00 0.00 0.00 179.25 181.20 1wnf h LEU 220 N 0.77 0.76 -0.80 0.00 6.46 -1.19 -1.64 115.31 119.67 1wnf h LEU 220 Ca 0.13 -0.29 -0.09 0.00 -0.12 0.00 0.00 57.88 57.51 1wnf h LEU 220 Cb 0.57 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1wnf h LEU 220 CO 0.03 0.86 -0.07 -0.09 -0.62 0.00 0.00 178.44 178.55 1wnf h ARG 221 N 0.64 0.83 0.00 1.25 2.43 -1.11 -1.80 114.38 116.62 1wnf h ARG 221 Ca 0.13 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1wnf h ARG 221 Cb 0.45 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1wnf h ARG 221 CO 0.02 0.88 0.00 1.28 -1.51 0.00 0.00 179.97 180.64 1wnf n LEU 222 N -4.17 0.67 0.00 3.80 7.99 0.10 -4.87 117.00 120.51 1wnf n LEU 222 Ca 0.02 0.71 0.00 0.00 -0.01 0.00 0.00 56.01 56.73 1wnf n LEU 222 Cb 0.35 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.98 1wnf n LEU 222 CO 0.43 -0.73 0.00 0.61 -1.51 0.00 0.00 177.39 176.19 1wnf n GLY 223 N -0.50 1.06 3.72 -0.72 0.00 -0.67 -5.07 105.19 103.00 1wnf n GLY 223 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1wnf n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wnf s TYR 224 N -2.00 3.25 -1.50 1.61 1.51 -0.64 -4.90 117.35 114.67 1wnf s TYR 224 Ca 0.00 1.01 0.28 0.00 -1.01 0.00 0.00 57.07 57.35 1wnf s TYR 224 Cb 0.00 -3.67 1.02 0.00 -0.11 0.00 0.00 41.96 39.20 1wnf s TYR 224 CO 0.00 -2.28 1.74 1.63 -1.11 0.00 0.00 175.55 175.53 1wnf n LYS 225 N 3.67 0.54 -3.49 -0.62 4.76 -0.29 -4.69 118.16 118.05 1wnf n LYS 225 Ca 0.10 -0.23 -0.10 0.00 -2.87 0.00 0.00 58.31 55.22 1wnf n LYS 225 Cb 0.42 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 1wnf n LYS 225 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wnf s GLY 226 N -2.62 -0.49 -0.01 0.72 0.00 -1.25 -4.20 107.32 99.47 1wnf s GLY 226 Ca 0.24 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.94 1wnf s GLY 226 CO 0.52 0.39 0.03 -0.42 0.00 0.00 0.00 173.10 173.63 1wnf s ILE 227 N -2.97 0.01 -0.15 0.90 1.01 -0.35 -1.91 121.20 117.74 1wnf s ILE 227 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1wnf s ILE 227 Cb -0.01 -0.09 0.02 0.00 0.01 0.00 0.00 42.46 42.39 1wnf s ILE 227 CO -0.08 -0.06 -0.18 -0.63 0.00 0.00 0.00 174.94 173.99 1wnf s ILE 228 N -0.18 1.82 -0.22 2.92 1.01 0.95 -0.05 121.20 127.45 1wnf s ILE 228 Ca -0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 1wnf s ILE 228 Cb -0.02 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1wnf s ILE 228 CO -0.00 0.50 0.12 -0.76 0.00 0.00 0.00 174.94 174.80 1wnf s LEU 229 N 1.15 3.99 -0.73 2.97 1.43 0.78 -1.01 118.68 127.26 1wnf s LEU 229 Ca -0.01 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 1wnf s LEU 229 Cb -0.14 -2.05 0.12 0.00 0.03 0.00 0.00 46.19 44.16 1wnf s LEU 229 CO -0.07 0.11 0.87 -0.70 0.23 0.00 0.00 176.35 176.78 1wnf s GLU 230 N 0.79 3.29 0.00 1.70 2.12 0.14 -0.94 118.70 125.80 1wnf s GLU 230 Ca 0.06 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.84 1wnf s GLU 230 Cb -0.13 -4.47 0.00 0.00 0.26 0.00 0.00 34.13 29.79 1wnf s GLU 230 CO 0.02 -1.61 0.00 0.41 -0.54 0.00 0.00 175.26 173.54 1wnf n GLY 231 N 5.15 -0.11 4.01 -1.50 0.00 0.08 -0.51 105.19 112.30 1wnf n GLY 231 Ca 0.04 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 1wnf n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wnf s TYR 232 N -0.11 2.45 0.00 1.61 1.51 -1.26 -0.26 117.35 121.29 1wnf s TYR 232 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1wnf s TYR 232 Cb 0.00 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 1wnf s TYR 232 CO 0.00 -0.71 0.00 0.41 -1.11 0.00 0.00 175.55 174.14 1wnf n GLY 233 N -2.05 0.11 0.00 0.71 0.00 -1.26 -0.72 105.19 101.98 1wnf n GLY 233 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1wnf n GLY 233 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wnf n VAL 234 N 0.00 0.50 0.00 1.61 0.24 -1.26 -4.74 118.33 114.68 1wnf n VAL 234 Ca 0.00 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 1wnf n VAL 234 Cb 0.00 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 1wnf n VAL 234 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wnf n GLY 235 N 0.48 3.08 0.00 7.63 0.00 0.10 -1.25 105.19 115.24 1wnf n GLY 235 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1wnf n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wnf n GLY 236 N 0.12 4.02 3.71 -0.02 0.00 -1.26 -3.96 105.19 107.80 1wnf n GLY 236 Ca 0.00 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1wnf n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wnf s ILE 237 N -1.44 4.80 0.09 -0.61 -1.09 -1.26 -4.67 121.20 117.02 1wnf s ILE 237 Ca 0.00 -0.05 -0.31 0.00 -2.23 0.00 0.00 60.65 58.06 1wnf s ILE 237 Cb 0.00 -3.10 -0.07 0.00 -1.58 0.00 0.00 42.46 37.71 1wnf s ILE 237 CO 0.00 0.55 1.43 -2.84 -1.23 0.00 0.00 174.94 172.85 1wnf s PRO 238 N -0.44 4.29 -0.12 2.79 0.02 -1.26 -4.87 135.00 135.41 1wnf s PRO 238 Ca 0.10 2.09 0.16 0.00 0.02 0.00 0.00 61.00 63.36 1wnf s PRO 238 Cb -0.12 -3.35 0.35 0.00 0.02 0.00 0.00 34.50 31.39 1wnf s PRO 238 CO 0.02 -0.51 1.24 2.48 -0.33 0.00 0.00 177.00 179.90 1wnf n TYR 239 N 4.44 0.37 -5.04 6.54 4.11 -1.26 -3.34 117.16 122.98 1wnf n TYR 239 Ca 0.12 -0.87 -0.32 0.00 -0.00 0.00 0.00 57.90 56.83 1wnf n TYR 239 Cb 0.42 -0.19 -0.16 0.00 -0.00 0.00 0.00 39.34 39.42 1wnf n TYR 239 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1wnf s ARG 240 N -2.52 3.12 0.00 -3.48 3.52 -1.26 -4.70 118.95 113.63 1wnf s ARG 240 Ca 0.32 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1wnf s ARG 240 Cb 0.26 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 1wnf s ARG 240 CO 0.06 0.23 0.00 0.41 -0.81 0.00 0.00 175.30 175.18 1wnf n GLY 241 N 3.43 1.12 3.23 8.12 0.00 -1.26 -4.93 105.19 114.90 1wnf n GLY 241 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1wnf n GLY 241 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wnf s THR 242 N -2.12 0.48 -0.99 2.61 -4.23 -1.26 -5.03 115.64 105.10 1wnf s THR 242 Ca 0.00 -1.97 0.18 0.00 -1.18 0.00 0.00 61.69 58.72 1wnf s THR 242 Cb 0.00 -2.23 0.74 0.00 1.34 0.00 0.00 72.50 72.35 1wnf s THR 242 CO 0.00 -0.35 1.65 -0.90 -0.54 0.00 0.00 174.62 174.48 1wnf n ASP 243 N -0.25 4.91 0.09 3.99 5.75 -1.26 -4.55 116.55 125.22 1wnf n ASP 243 Ca -0.04 -2.52 -0.12 0.00 -0.01 0.00 0.00 54.79 52.09 1wnf n ASP 243 Cb 0.64 -0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 1wnf n ASP 243 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1wnf h LEU 244 N 4.05 -0.68 0.10 -2.12 6.46 -1.80 -1.44 115.31 119.88 1wnf h LEU 244 Ca 0.00 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1wnf h LEU 244 Cb 1.53 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 41.70 1wnf h LEU 244 CO 0.27 -0.31 -0.19 0.15 -0.62 0.00 0.00 178.44 177.74 1wnf h PHE 245 N -0.40 -0.49 -0.70 1.25 3.04 -1.79 -0.26 116.94 117.58 1wnf h PHE 245 Ca 0.04 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.03 1wnf h PHE 245 Cb 0.45 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.13 1wnf h PHE 245 CO -0.24 -0.28 0.46 1.05 -2.02 0.00 0.00 178.31 177.28 1wnf h GLU 246 N -0.36 0.85 -0.35 1.11 4.11 -1.85 0.15 114.58 118.24 1wnf h GLU 246 Ca 0.03 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.27 1wnf h GLU 246 Cb 0.38 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1wnf h GLU 246 CO -0.11 0.56 -0.30 0.28 0.07 0.00 0.00 179.01 179.51 1wnf h VAL 247 N 0.88 1.29 -0.66 -1.06 2.07 -0.91 -3.09 116.25 114.77 1wnf h VAL 247 Ca 0.27 -1.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 1wnf h VAL 247 Cb 0.01 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1wnf h VAL 247 CO -0.07 0.48 0.10 0.58 0.02 0.00 0.00 177.57 178.68 1wnf h VAL 248 N 0.61 1.26 -0.21 2.57 2.07 -0.42 -0.74 116.25 121.40 1wnf h VAL 248 Ca 0.06 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.60 1wnf h VAL 248 Cb 0.88 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1wnf h VAL 248 CO 0.08 0.39 0.24 0.28 0.02 0.00 0.00 177.57 178.58 1wnf h SER 249 N 1.01 0.00 0.03 0.57 0.02 -0.92 0.05 113.55 114.31 1wnf h SER 249 Ca 0.20 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.79 1wnf h SER 249 Cb 0.45 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 1wnf h SER 249 CO 0.01 0.00 -2.02 -0.24 -1.14 0.00 0.00 176.83 173.45 1wnf n SER 250 N -3.72 1.97 -0.10 3.07 2.88 -0.88 -4.42 113.62 112.43 1wnf n SER 250 Ca 0.02 0.24 -0.04 0.00 -1.33 0.00 0.00 58.87 57.77 1wnf n SER 250 Cb 0.37 -0.80 0.18 0.00 -0.75 0.00 0.00 64.21 63.21 1wnf n SER 250 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1wnf h ILE 251 N -0.56 1.24 0.00 2.46 1.08 -0.87 -2.79 117.51 118.06 1wnf h ILE 251 Ca -0.51 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 1wnf h ILE 251 Cb 1.67 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1wnf h ILE 251 CO -0.18 0.34 0.00 -1.54 -0.69 0.00 0.00 178.15 176.08 1wnf n SER 252 N -4.23 0.00 0.01 1.72 3.41 -0.02 -1.01 113.62 113.50 1wnf n SER 252 Ca 0.03 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 1wnf n SER 252 Cb 0.28 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.85 1wnf n SER 252 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wnf n LYS 253 N -1.27 0.39 -0.13 4.33 5.02 -1.05 -4.43 118.16 121.02 1wnf n LYS 253 Ca 0.02 -0.09 -0.26 0.00 -2.02 0.00 0.00 58.31 55.96 1wnf n LYS 253 Cb 0.03 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.39 1wnf n LYS 253 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wnf n ARG 254 N -2.00 0.60 -4.29 1.97 3.00 -0.18 -4.92 116.66 110.84 1wnf n ARG 254 Ca -0.00 0.28 -0.18 0.00 -0.00 0.00 0.00 57.85 57.94 1wnf n ARG 254 Cb 0.47 -1.54 -0.11 0.00 0.00 0.00 0.00 32.46 31.29 1wnf n ARG 254 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wnf s ILE 255 N -2.49 1.54 0.16 5.15 -4.36 -0.37 -4.90 121.20 115.93 1wnf s ILE 255 Ca -0.36 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 57.77 1wnf s ILE 255 Cb 0.12 -1.80 -0.08 0.00 1.25 0.00 0.00 42.46 41.96 1wnf s ILE 255 CO 0.53 -0.49 1.24 -2.16 0.24 0.00 0.00 174.94 174.30 1wnf s PRO 256 N -3.14 4.44 -0.31 0.37 0.04 -1.26 -4.01 135.00 131.13 1wnf s PRO 256 Ca 0.16 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1wnf s PRO 256 Cb -0.03 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.33 1wnf s PRO 256 CO 0.05 -0.19 -0.00 0.08 0.04 0.00 0.00 177.00 176.97 1wnf s VAL 257 N 0.30 2.59 -0.10 -0.36 1.01 -1.26 -1.22 120.40 121.37 1wnf s VAL 257 Ca 0.56 -1.76 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 1wnf s VAL 257 Cb -0.33 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1wnf s VAL 257 CO 0.35 -0.26 0.31 -0.69 0.00 0.00 0.00 175.10 174.82 1wnf s VAL 258 N 1.11 5.25 -0.23 2.92 1.01 0.93 -0.47 120.40 130.92 1wnf s VAL 258 Ca -0.01 0.61 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 1wnf s VAL 258 Cb -0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1wnf s VAL 258 CO -0.04 0.48 0.09 -0.22 0.00 0.00 0.00 175.10 175.41 1wnf s LEU 259 N -0.23 3.71 0.00 3.92 0.20 0.59 -0.16 118.68 126.71 1wnf s LEU 259 Ca 0.19 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.97 1wnf s LEU 259 Cb -0.14 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1wnf s LEU 259 CO 0.07 0.04 0.05 1.07 -0.29 0.00 0.00 176.35 177.30 1wnf n THR 260 N 4.41 0.00 -4.11 3.68 5.66 -0.12 -2.43 114.28 121.36 1wnf n THR 260 Ca -0.16 -1.75 -0.30 0.00 -3.05 0.00 0.00 64.05 58.79 1wnf n THR 260 Cb 0.52 0.48 -0.08 0.00 -1.55 0.00 0.00 70.33 69.70 1wnf n THR 260 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wnf s THR 261 N -2.50 4.11 -0.42 1.09 2.01 -1.26 -0.74 115.64 117.93 1wnf s THR 261 Ca 0.07 -0.98 0.23 0.00 0.31 0.00 0.00 61.69 61.32 1wnf s THR 261 Cb 0.00 -2.98 0.32 0.00 0.01 0.00 0.00 72.50 69.85 1wnf s THR 261 CO 0.05 0.10 1.58 1.56 -0.69 0.00 0.00 174.62 177.21 1wnf h GLN 262 N 3.33 0.00 -7.38 4.92 4.20 -0.87 -3.44 115.11 115.86 1wnf h GLN 262 Ca -0.47 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.74 1wnf h GLN 262 Cb 1.17 0.00 0.11 0.00 0.30 0.00 0.00 27.48 29.06 1wnf h GLN 262 CO 0.61 0.01 0.34 0.00 -0.67 0.00 0.00 178.83 179.12 1wnf s ALA 263 N -3.21 2.33 -0.15 3.87 0.00 -1.26 -5.00 121.76 118.33 1wnf s ALA 263 Ca 0.07 -0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.03 1wnf s ALA 263 Cb 0.05 -3.14 -0.23 0.00 0.00 0.00 0.00 23.12 19.80 1wnf s ALA 263 CO 0.68 -1.63 0.23 -0.89 0.00 0.00 0.00 175.76 174.16 1wnf n ILE 264 N -3.38 1.53 -4.34 0.00 2.08 -1.26 -4.90 119.36 109.09 1wnf n ILE 264 Ca 0.07 -0.76 -0.26 0.00 0.56 0.00 0.00 62.75 62.36 1wnf n ILE 264 Cb 0.55 -0.98 -0.10 0.00 -0.75 0.00 0.00 39.64 38.36 1wnf n ILE 264 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1wnf s TYR 265 N -2.54 2.52 0.00 1.39 2.02 -1.26 -4.78 117.35 114.71 1wnf s TYR 265 Ca -0.15 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1wnf s TYR 265 Cb 0.07 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 1wnf s TYR 265 CO 0.78 0.53 0.00 -0.25 -1.57 0.00 0.00 175.55 175.04 1wnf n ASP 266 N 0.02 0.00 0.00 2.29 10.43 -1.26 -4.99 116.55 123.04 1wnf n ASP 266 Ca -0.11 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.25 1wnf n ASP 266 Cb 0.56 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.52 1wnf n ASP 266 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wnf n GLY 267 N -0.13 -0.32 3.70 0.44 0.00 -1.26 -4.76 105.19 102.86 1wnf n GLY 267 Ca 0.00 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1wnf n GLY 267 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wnf s VAL 268 N 0.00 4.01 -0.37 1.61 1.01 -0.33 -4.58 120.40 121.75 1wnf s VAL 268 Ca 0.00 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 60.88 1wnf s VAL 268 Cb 0.00 -2.97 0.17 0.00 0.00 0.00 0.00 36.38 33.58 1wnf s VAL 268 CO 0.00 -0.00 0.52 -0.62 0.00 0.00 0.00 175.10 174.99 1wnf s ASP 269 N -2.68 -0.43 0.00 3.32 2.15 -0.38 -4.42 116.67 114.24 1wnf s ASP 269 Ca 0.27 -0.88 0.16 0.00 0.43 0.00 0.00 52.55 52.54 1wnf s ASP 269 Cb -0.11 1.41 0.97 0.00 -0.30 0.00 0.00 42.92 44.90 1wnf s ASP 269 CO 0.19 -0.24 1.40 0.18 -0.17 0.00 0.00 175.17 176.53 1wnf n LEU 270 N 4.60 0.00 0.06 -1.34 4.77 -1.26 -2.77 117.00 121.06 1wnf n LEU 270 Ca 0.09 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1wnf n LEU 270 Cb 0.52 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1wnf n LEU 270 CO 0.02 -0.01 -0.11 -0.61 -1.33 0.00 0.00 177.39 175.35 1wnf h GLN 271 N 0.00 0.00 0.21 3.23 5.75 -1.91 -2.50 115.11 119.88 1wnf h GLN 271 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1wnf h GLN 271 Cb 0.01 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1wnf h GLN 271 CO 0.00 0.32 -0.34 -0.09 -2.65 0.00 0.00 178.83 176.07 1wnf h ARG 272 N 0.00 -0.56 -6.25 1.69 9.65 -1.90 -3.45 114.38 113.55 1wnf h ARG 272 Ca -0.12 0.04 -0.47 0.00 -1.10 0.00 0.00 59.98 58.33 1wnf h ARG 272 Cb 1.51 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 30.20 1wnf h ARG 272 CO 0.05 -0.37 -0.38 0.71 2.80 0.00 0.00 179.97 182.77 1wnf s TYR 273 N -4.85 2.87 0.17 2.20 2.02 -1.26 -5.02 117.35 113.48 1wnf s TYR 273 Ca -0.11 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.10 1wnf s TYR 273 Cb 0.03 -2.02 0.06 0.00 -0.40 0.00 0.00 41.96 39.64 1wnf s TYR 273 CO 0.40 -0.02 1.78 -0.22 -1.57 0.00 0.00 175.55 175.91 1wnf h LYS 274 N 1.04 0.77 -0.61 -0.62 3.64 -1.92 -1.77 116.57 117.10 1wnf h LYS 274 Ca -0.43 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1wnf h LYS 274 Cb 1.26 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1wnf h LYS 274 CO 0.55 0.60 0.40 -0.39 -2.27 0.00 0.00 179.45 178.34 1wnf h VAL 275 N 0.74 1.08 -0.29 2.00 -1.51 -1.93 0.13 116.25 116.46 1wnf h VAL 275 Ca 0.19 -0.25 -0.03 0.00 -1.23 0.00 0.00 66.70 65.39 1wnf h VAL 275 Cb 0.06 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.51 1wnf h VAL 275 CO -0.03 0.13 0.08 1.23 -1.23 0.00 0.00 177.57 177.75 1wnf h GLY 276 N 0.72 0.49 1.05 5.19 0.00 -1.47 0.22 103.07 109.27 1wnf h GLY 276 Ca 0.24 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1wnf h GLY 276 CO -0.07 0.28 0.24 3.21 0.00 0.00 0.00 176.54 180.21 1wnf h ARG 277 N 0.30 1.15 -0.37 4.80 3.08 -0.67 0.74 114.38 123.41 1wnf h ARG 277 Ca 0.09 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1wnf h ARG 277 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1wnf h ARG 277 CO -0.00 0.98 0.16 0.82 -1.07 0.00 0.00 179.97 180.85 1wnf h ILE 278 N 1.10 1.18 -0.90 2.04 2.04 -0.84 -1.70 117.51 120.43 1wnf h ILE 278 Ca 0.24 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1wnf h ILE 278 Cb 0.30 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1wnf h ILE 278 CO -0.01 0.20 0.59 0.00 0.00 0.00 0.00 178.15 178.93 1wnf h ALA 279 N 1.01 1.18 -0.10 1.87 0.00 -0.47 -0.52 119.26 122.23 1wnf h ALA 279 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wnf h ALA 279 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wnf h ALA 279 CO -0.01 0.48 -0.09 1.25 0.00 0.00 0.00 179.25 180.87 1wnf h LEU 280 N 1.16 0.13 -0.22 0.00 5.85 -0.46 -2.40 115.31 119.39 1wnf h LEU 280 Ca 0.35 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.89 1wnf h LEU 280 Cb -0.04 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1wnf h LEU 280 CO -0.10 0.25 -0.51 -0.33 -0.34 0.00 0.00 178.44 177.41 1wnf h GLU 281 N 0.14 0.73 -0.06 1.25 4.39 -0.22 -2.98 114.58 117.83 1wnf h GLU 281 Ca 0.03 -0.49 0.02 0.00 0.34 0.00 0.00 59.36 59.25 1wnf h GLU 281 Cb 0.26 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1wnf h GLU 281 CO 0.01 1.12 0.10 0.00 -1.16 0.00 0.00 179.01 179.08 1wnf h ALA 282 N 0.61 1.42 0.00 3.43 0.00 -0.73 -3.45 119.26 120.54 1wnf h ALA 282 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wnf h ALA 282 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wnf h ALA 282 CO 0.11 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1wnf n GLY 283 N -1.26 1.18 3.77 0.00 0.00 -1.13 -4.45 105.19 103.31 1wnf n GLY 283 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1wnf n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wnf s VAL 284 N -2.00 2.68 -0.22 1.61 -7.23 -1.11 -4.70 120.40 109.42 1wnf s VAL 284 Ca 0.00 0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 60.68 1wnf s VAL 284 Cb 0.00 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.52 1wnf s VAL 284 CO 0.00 0.10 0.19 -0.63 -0.31 0.00 0.00 175.10 174.45 1wnf s ILE 285 N -1.26 5.34 0.44 -0.62 1.01 0.38 -4.69 121.20 121.80 1wnf s ILE 285 Ca 0.56 0.27 -0.23 0.00 0.00 0.00 0.00 60.65 61.25 1wnf s ILE 285 Cb -0.38 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 1wnf s ILE 285 CO 0.48 0.35 1.13 -2.84 0.00 0.00 0.00 174.94 174.06 1wnf s PRO 286 N 0.95 3.91 0.00 2.79 0.02 -1.26 -0.30 135.00 141.11 1wnf s PRO 286 Ca 0.10 1.69 0.22 0.00 0.02 0.00 0.00 61.00 63.03 1wnf s PRO 286 Cb -0.13 -2.47 0.19 0.00 0.02 0.00 0.00 34.50 32.11 1wnf s PRO 286 CO 0.04 -0.40 1.22 0.00 -0.33 0.00 0.00 177.00 177.52 1wnf n ALA 287 N -0.31 2.46 -0.90 -1.55 0.00 -1.02 -4.76 120.51 114.43 1wnf n ALA 287 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1wnf n ALA 287 Cb 0.48 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1wnf n ALA 287 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wnf n GLY 288 N 1.26 2.99 1.51 0.00 0.00 -1.26 -2.40 105.19 107.28 1wnf n GLY 288 Ca 0.13 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1wnf n GLY 288 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wnf n ASP 289 N 1.60 4.75 -4.73 1.61 3.85 -1.26 -1.18 116.55 121.19 1wnf n ASP 289 Ca 0.00 -2.58 -0.35 0.00 -0.71 0.00 0.00 54.79 51.15 1wnf n ASP 289 Cb 0.00 -0.57 0.08 0.00 -1.35 0.00 0.00 41.12 39.28 1wnf n ASP 289 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1wnf s MET 290 N -2.08 2.33 0.71 0.11 -1.94 -1.01 -4.80 119.30 112.61 1wnf s MET 290 Ca 0.49 1.86 -0.11 0.00 -1.71 0.00 0.00 55.69 56.22 1wnf s MET 290 Cb 0.33 -1.84 0.01 0.00 2.01 0.00 0.00 34.83 35.34 1wnf s MET 290 CO 0.21 -1.71 1.06 0.95 -0.01 0.00 0.00 175.02 175.52 1wnf s THR 291 N -1.77 3.93 0.15 2.05 -4.23 -1.26 -4.84 115.64 109.66 1wnf s THR 291 Ca 0.77 0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 61.74 1wnf s THR 291 Cb -0.32 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1wnf s THR 291 CO 0.42 -0.82 1.77 0.11 -0.54 0.00 0.00 174.62 175.57 1wnf h LYS 292 N -0.77 0.34 -0.26 3.99 1.79 -1.94 -0.19 116.57 119.53 1wnf h LYS 292 Ca -0.44 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1wnf h LYS 292 Cb 1.21 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 1wnf h LYS 292 CO 0.56 0.22 0.15 0.93 -1.08 0.00 0.00 179.45 180.23 1wnf h GLU 293 N 0.35 0.30 -0.75 3.15 3.07 -1.92 0.31 114.58 119.09 1wnf h GLU 293 Ca 0.15 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1wnf h GLU 293 Cb 0.06 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1wnf h GLU 293 CO -0.11 0.20 0.43 0.00 -1.40 0.00 0.00 179.01 178.13 1wnf h ALA 294 N 1.11 0.96 0.26 3.43 0.00 -1.78 -1.61 119.26 121.63 1wnf h ALA 294 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wnf h ALA 294 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1wnf h ALA 294 CO -0.04 0.45 -0.16 1.15 0.00 0.00 0.00 179.25 180.65 1wnf h THR 295 N 1.03 0.65 0.02 0.00 2.02 -0.53 0.10 112.91 116.20 1wnf h THR 295 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1wnf h THR 295 Cb 0.01 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1wnf h THR 295 CO -0.05 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.22 1wnf h ILE 296 N -0.41 0.94 -0.18 3.11 2.04 -0.84 -1.63 117.51 120.54 1wnf h ILE 296 Ca -0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1wnf h ILE 296 Cb 0.35 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1wnf h ILE 296 CO 0.02 0.00 -0.27 0.71 0.00 0.00 0.00 178.15 178.61 1wnf h THR 297 N -0.05 1.26 -0.14 -0.27 1.35 -1.24 -2.12 112.91 111.70 1wnf h THR 297 Ca 0.00 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1wnf h THR 297 Cb 0.06 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1wnf h THR 297 CO -0.01 0.38 0.02 0.50 -0.25 0.00 0.00 175.52 176.16 1wnf h LYS 298 N 0.30 0.23 -0.72 4.72 3.64 -0.59 -0.05 116.57 124.11 1wnf h LYS 298 Ca 0.04 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1wnf h LYS 298 Cb 0.65 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 1wnf h LYS 298 CO 0.05 0.43 0.46 1.25 -2.27 0.00 0.00 179.45 179.36 1wnf h LEU 299 N 0.01 0.76 -0.22 5.20 5.85 -1.15 0.29 115.31 126.05 1wnf h LEU 299 Ca 0.04 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1wnf h LEU 299 Cb 0.31 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1wnf h LEU 299 CO 0.00 0.53 0.13 0.24 -0.34 0.00 0.00 178.44 179.00 1wnf h MET 300 N 0.90 0.27 -0.05 1.25 2.86 -1.17 0.11 114.93 119.09 1wnf h MET 300 Ca 0.28 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1wnf h MET 300 Cb -0.00 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1wnf h MET 300 CO -0.10 0.18 0.03 2.35 1.06 0.00 0.00 176.91 180.43 1wnf h TRP 301 N 0.27 0.06 -0.30 -0.22 7.01 -0.33 0.91 115.95 123.36 1wnf h TRP 301 Ca 0.08 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1wnf h TRP 301 Cb -0.02 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1wnf h TRP 301 CO -0.07 0.04 0.18 0.82 -2.79 0.00 0.00 178.44 176.62 1wnf h ILE 302 N 0.06 1.05 0.00 2.65 2.04 -0.24 -1.13 117.51 121.94 1wnf h ILE 302 Ca 0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1wnf h ILE 302 Cb -0.00 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1wnf h ILE 302 CO -0.00 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.40 1wnf n LEU 303 N -4.91 0.22 -0.02 1.44 4.32 0.35 -0.14 117.00 118.26 1wnf n LEU 303 Ca -0.01 0.60 0.13 0.00 -0.02 0.00 0.00 56.01 56.71 1wnf n LEU 303 Cb 0.04 -0.63 0.41 0.00 -1.62 0.00 0.00 43.42 41.63 1wnf n LEU 303 CO 0.33 -0.68 0.67 0.61 -1.22 0.00 0.00 177.39 177.10 1wnf n GLY 304 N -1.42 -1.26 0.01 -0.72 0.00 -0.43 -4.13 105.19 97.24 1wnf n GLY 304 Ca -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 1wnf n GLY 304 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wnf n HIS 305 N -1.40 0.00 -3.62 1.61 8.25 0.81 -4.62 115.22 116.25 1wnf n HIS 305 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1wnf n HIS 305 Cb 0.33 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 1wnf n HIS 305 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1wnf s THR 306 N -2.11 0.04 -0.06 1.59 -1.32 -0.55 -5.04 115.64 108.19 1wnf s THR 306 Ca -0.02 -0.32 0.09 0.00 -1.21 0.00 0.00 61.69 60.23 1wnf s THR 306 Cb 0.01 -0.93 0.13 0.00 -1.51 0.00 0.00 72.50 70.20 1wnf s THR 306 CO 0.14 -0.18 1.02 2.29 -2.21 0.00 0.00 174.62 175.68 1wnf n LYS 307 N 0.58 1.17 -2.92 7.08 2.85 -1.26 -4.06 118.16 121.60 1wnf n LYS 307 Ca -0.19 -1.77 -0.42 0.00 -1.05 0.00 0.00 58.31 54.88 1wnf n LYS 307 Cb 0.59 -1.06 -0.05 0.00 -0.65 0.00 0.00 35.03 33.87 1wnf n LYS 307 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wnf s ASN 308 N -1.77 6.76 0.23 -5.58 2.47 -1.26 -4.95 114.94 110.85 1wnf s ASN 308 Ca 0.15 0.89 -0.10 0.00 0.42 0.00 0.00 52.86 54.22 1wnf s ASN 308 Cb 0.13 -2.42 0.35 0.00 -1.45 0.00 0.00 41.25 37.86 1wnf s ASN 308 CO 0.01 -0.55 1.63 0.40 -3.72 0.00 0.00 177.10 174.88 1wnf h ILE 309 N 5.49 0.34 -0.93 -5.21 1.08 -1.91 -0.54 117.51 115.83 1wnf h ILE 309 Ca -0.24 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1wnf h ILE 309 Cb 1.10 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 1wnf h ILE 309 CO 0.87 0.01 0.62 -0.33 -0.69 0.00 0.00 178.15 178.63 1wnf h GLU 310 N 0.06 1.22 -0.19 2.37 4.39 -1.98 0.91 114.58 121.35 1wnf h GLU 310 Ca 0.37 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.84 1wnf h GLU 310 Cb 0.61 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1wnf h GLU 310 CO -0.67 0.80 -0.51 0.93 -1.16 0.00 0.00 179.01 178.40 1wnf h GLU 311 N 1.25 0.54 -0.46 2.33 5.08 -1.66 -2.52 114.58 119.14 1wnf h GLU 311 Ca 0.35 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1wnf h GLU 311 Cb -0.12 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wnf h GLU 311 CO -0.08 0.92 -0.15 0.28 -1.00 0.00 0.00 179.01 178.98 1wnf h VAL 312 N 0.42 1.27 -0.47 3.13 2.07 -0.58 -1.02 116.25 121.07 1wnf h VAL 312 Ca 0.02 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1wnf h VAL 312 Cb 1.04 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1wnf h VAL 312 CO 0.10 0.44 0.15 0.50 0.02 0.00 0.00 177.57 178.77 1wnf h LYS 313 N 0.77 0.73 -0.15 1.57 3.64 -0.71 -0.77 116.57 121.65 1wnf h LYS 313 Ca 0.12 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1wnf h LYS 313 Cb 0.68 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1wnf h LYS 313 CO 0.05 0.70 -0.17 1.96 -2.27 0.00 0.00 179.45 179.72 1wnf h GLN 314 N 0.63 0.39 -0.35 1.90 4.20 -1.33 -2.61 115.11 117.93 1wnf h GLN 314 Ca 0.15 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1wnf h GLN 314 Cb 0.27 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1wnf h GLN 314 CO -0.00 0.77 0.00 -0.07 -0.67 0.00 0.00 178.83 178.86 1wnf h LEU 315 N 0.02 0.50 -0.98 1.46 3.38 -1.18 -2.18 115.31 116.32 1wnf h LEU 315 Ca 0.02 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1wnf h LEU 315 Cb 0.71 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wnf h LEU 315 CO 0.04 0.57 -0.20 -0.03 0.09 0.00 0.00 178.44 178.92 1wnf h MET 316 N 0.52 0.51 -0.21 1.13 4.05 -1.08 -2.49 114.93 117.36 1wnf h MET 316 Ca 0.11 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1wnf h MET 316 Cb 0.33 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1wnf h MET 316 CO 0.01 0.68 0.00 0.41 0.23 0.00 0.00 176.91 178.24 1wnf n GLY 317 N -0.47 0.44 3.85 1.39 0.00 -0.94 -4.87 105.19 104.58 1wnf n GLY 317 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1wnf n GLY 317 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wnf s LYS 318 N -1.74 3.73 -0.83 1.61 2.20 -0.87 -4.99 119.74 118.85 1wnf s LYS 318 Ca 0.32 0.17 -0.21 0.00 -0.36 0.00 0.00 55.97 55.88 1wnf s LYS 318 Cb 0.17 -3.22 0.09 0.00 -1.51 0.00 0.00 37.83 33.37 1wnf s LYS 318 CO 0.25 0.71 1.12 1.21 -0.36 0.00 0.00 175.35 178.29 1wnf s ASN 319 N -1.00 6.40 -0.02 1.43 3.84 -1.26 -4.87 114.94 119.46 1wnf s ASN 319 Ca 0.20 -1.44 -0.20 0.00 0.21 0.00 0.00 52.86 51.63 1wnf s ASN 319 Cb -0.15 -2.44 -0.30 0.00 -0.55 0.00 0.00 41.25 37.81 1wnf s ASN 319 CO 0.09 -1.33 0.96 0.40 -2.79 0.00 0.00 177.10 174.43 1wnf h ILE 320 N 6.05 1.45 -0.43 -5.21 2.04 -1.92 -3.41 117.51 116.07 1wnf h ILE 320 Ca -0.04 -2.46 -0.25 0.00 1.00 0.00 0.00 64.86 63.11 1wnf h ILE 320 Cb 1.04 3.03 -0.34 0.00 -0.74 0.00 0.00 36.82 39.81 1wnf h ILE 320 CO 1.20 0.71 -0.93 0.35 0.00 0.00 0.00 178.15 179.48 1wnf n THR 321 N -4.07 0.90 -1.06 -0.27 -2.24 -1.26 -4.97 114.28 101.32 1wnf n THR 321 Ca -0.13 -2.50 -0.02 0.00 -2.27 0.00 0.00 64.05 59.12 1wnf n THR 321 Cb 0.84 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 70.17 1wnf n THR 321 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wnf n GLY 322 N -0.67 0.55 0.21 3.38 0.00 -1.26 -4.92 105.19 102.47 1wnf n GLY 322 Ca 0.02 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.67 1wnf n GLY 322 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wnf h GLU 323 N 0.38 0.00 -4.23 1.61 9.09 -1.92 -3.46 114.58 116.05 1wnf h GLU 323 Ca -0.04 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.15 1wnf h GLU 323 Cb 0.22 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 27.10 1wnf h GLU 323 CO 0.06 0.06 -0.71 -0.48 0.05 0.00 0.00 179.01 177.99 1wnf s LEU 324 N -6.24 2.25 -0.25 3.06 0.05 -1.26 -4.33 118.68 111.95 1wnf s LEU 324 Ca 0.06 -0.52 -0.13 0.00 0.05 0.00 0.00 54.13 53.60 1wnf s LEU 324 Cb 0.05 -0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.14 1wnf s LEU 324 CO 0.67 -0.26 0.28 -0.89 -0.55 0.00 0.00 176.35 175.60 1wnf s THR 325 N -1.42 5.26 -2.70 5.48 2.01 -1.26 -4.76 115.64 118.26 1wnf s THR 325 Ca -0.13 0.39 0.22 0.00 0.31 0.00 0.00 61.69 62.47 1wnf s THR 325 Cb -0.10 -3.61 0.17 0.00 0.01 0.00 0.00 72.50 68.97 1wnf s THR 325 CO -0.00 0.24 1.18 0.54 -0.69 0.00 0.00 174.62 175.89