#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef h TRP 57 N 0.00 0.00 0.00 0.00 5.08 -1.95 -2.70 115.95 116.38 2nef h TRP 57 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2nef h TRP 57 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2nef h TRP 57 CO 0.00 0.00 -0.15 1.37 -1.28 0.00 0.00 178.44 178.38 2nef h LEU 58 N 0.00 0.00 0.00 0.11 -0.00 -2.01 -3.44 115.31 109.98 2nef h LEU 58 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2nef h LEU 58 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2nef h LEU 58 CO 0.00 0.02 0.00 -0.62 -0.00 0.00 0.00 178.44 177.84 2nef n GLU 59 N -2.30 0.00 -2.30 0.17 -0.58 -1.02 -4.87 120.64 109.74 2nef n GLU 59 Ca 0.05 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 2nef n GLU 59 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.28 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef s ALA 60 N -3.62 3.48 -0.74 0.62 0.00 -1.26 -4.89 121.76 115.34 2nef s ALA 60 Ca 0.00 1.01 0.10 0.00 0.00 0.00 0.00 51.96 53.06 2nef s ALA 60 Cb 0.00 -3.46 0.50 0.00 0.00 0.00 0.00 23.12 20.16 2nef s ALA 60 CO 0.00 -0.47 1.29 0.00 0.00 0.00 0.00 175.76 176.58 2nef n GLN 61 N 3.05 3.26 0.00 0.00 0.00 -1.26 -4.88 117.38 117.54 2nef n GLN 61 Ca 0.07 -1.94 0.00 0.00 0.00 0.00 0.00 57.00 55.13 2nef n GLN 61 Cb 0.44 -1.89 0.00 0.00 0.00 0.00 0.00 30.24 28.79 2nef n GLN 61 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2nef n GLU 62 N 0.46 1.11 -1.53 2.61 0.28 -1.26 -4.62 120.64 117.69 2nef n GLU 62 Ca 0.17 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.95 2nef n GLU 62 Cb 0.78 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.52 2nef n GLU 62 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2nef n GLU 63 N 0.00 0.35 -1.83 3.44 1.02 -1.26 -4.85 120.64 117.52 2nef n GLU 63 Ca 0.00 -0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 56.38 2nef n GLU 63 Cb 0.00 -2.45 -0.00 0.00 -0.02 0.00 0.00 31.44 28.97 2nef n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2nef s GLU 64 N 8.16 4.13 -0.01 3.49 0.41 -1.26 -4.90 118.70 128.72 2nef s GLU 64 Ca 1.13 2.54 0.02 0.00 -0.41 0.00 0.00 54.97 58.25 2nef s GLU 64 Cb -0.52 -2.98 0.03 0.00 -1.78 0.00 0.00 34.13 28.88 2nef s GLU 64 CO 0.33 -0.51 1.01 0.39 -0.49 0.00 0.00 175.26 175.99 2nef n GLU 65 N 0.60 0.13 -0.14 1.61 1.02 -1.26 -4.86 120.64 117.75 2nef n GLU 65 Ca 0.01 -1.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 2nef n GLU 65 Cb 0.39 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2nef n VAL 66 N -0.15 0.00 0.00 2.62 0.31 -1.26 0.13 118.33 119.98 2nef n VAL 66 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2nef n VAL 66 Cb 0.69 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 2nef n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nef n GLY 67 N -0.03 0.52 3.27 2.92 0.00 -1.26 -4.74 105.19 105.88 2nef n GLY 67 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2nef n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nef s PHE 68 N 0.00 -0.19 -0.32 1.61 -0.71 0.36 -5.10 117.98 113.63 2nef s PHE 68 Ca 0.00 0.19 -0.27 0.00 -1.04 0.00 0.00 56.93 55.80 2nef s PHE 68 Cb 0.00 0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 2nef s PHE 68 CO 0.00 -0.48 2.22 -1.25 -1.34 0.00 0.00 175.22 174.37 2nef s PRO 69 N -1.99 2.85 0.61 1.99 0.04 -1.26 -4.75 135.00 132.49 2nef s PRO 69 Ca -0.09 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 2nef s PRO 69 Cb -0.03 -4.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.09 2nef s PRO 69 CO 0.01 -2.42 0.97 0.14 0.04 0.00 0.00 177.00 175.73 2nef s VAL 70 N 9.25 4.22 0.29 -0.36 -7.23 -1.26 -5.06 120.40 120.25 2nef s VAL 70 Ca 0.97 0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 61.51 2nef s VAL 70 Cb -0.27 -3.68 -0.07 0.00 0.56 0.00 0.00 36.38 32.92 2nef s VAL 70 CO 0.32 -0.82 0.61 0.28 -0.31 0.00 0.00 175.10 175.18 2nef s THR 71 N -3.10 4.90 0.00 5.32 -1.32 -1.26 -5.05 115.64 115.13 2nef s THR 71 Ca 0.54 0.43 0.00 0.00 -1.21 0.00 0.00 61.69 61.45 2nef s THR 71 Cb -0.11 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 2nef s THR 71 CO 0.50 -0.24 0.00 -0.81 -2.21 0.00 0.00 174.62 171.86 2nef n PRO 72 N -0.60 1.08 -1.50 7.08 -0.04 -1.26 -4.08 135.00 135.67 2nef n PRO 72 Ca 0.01 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 2nef n PRO 72 Cb 0.53 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.82 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2nef n GLN 73 N 0.00 0.01 -2.41 0.54 6.02 -1.26 -4.64 117.38 115.63 2nef n GLN 73 Ca 0.00 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2nef n GLN 73 Cb 0.00 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2nef s VAL 74 N 6.64 4.71 -0.33 5.09 -7.23 -1.26 -4.89 120.40 123.13 2nef s VAL 74 Ca 1.34 0.80 -0.31 0.00 -1.81 0.00 0.00 61.98 62.00 2nef s VAL 74 Cb -1.13 -3.79 -0.13 0.00 0.56 0.00 0.00 36.38 31.89 2nef s VAL 74 CO 0.51 -0.80 1.08 -2.65 -0.31 0.00 0.00 175.10 172.93 2nef n PRO 75 N -1.94 0.00 -1.71 4.82 -0.02 -1.26 -4.72 135.00 130.16 2nef n PRO 75 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.10 2nef n PRO 75 Cb 0.54 -0.99 -0.03 0.00 -0.02 0.00 0.00 33.50 33.01 2nef n PRO 75 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2nef n LEU 76 N 2.83 3.90 -4.18 2.45 4.77 -1.26 -4.97 117.00 120.54 2nef n LEU 76 Ca 0.22 1.08 -0.17 0.00 -0.03 0.00 0.00 56.01 57.10 2nef n LEU 76 Cb -0.04 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.38 2nef n LEU 76 CO 0.59 0.10 -0.45 -0.13 -1.33 0.00 0.00 177.39 176.17 2nef s ARG 77 N 0.88 0.83 0.36 3.23 1.81 -1.26 -5.13 118.95 119.68 2nef s ARG 77 Ca 0.74 -1.01 -0.27 0.00 -1.72 0.00 0.00 55.73 53.47 2nef s ARG 77 Cb -0.53 -0.77 -0.09 0.00 -0.45 0.00 0.00 34.95 33.11 2nef s ARG 77 CO 0.36 0.16 1.22 -1.25 -0.68 0.00 0.00 175.30 175.10 2nef s PRO 78 N -2.01 4.22 -0.21 3.54 0.04 -1.26 -4.76 135.00 134.56 2nef s PRO 78 Ca 0.00 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 2nef s PRO 78 Cb -0.08 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 2nef s PRO 78 CO 0.02 -0.23 1.94 1.41 0.04 0.00 0.00 177.00 180.18 2nef s MET 79 N -2.01 3.47 0.03 4.56 1.75 -1.26 -4.95 119.30 120.89 2nef s MET 79 Ca 0.53 1.86 -0.24 0.00 -1.25 0.00 0.00 55.69 56.60 2nef s MET 79 Cb -0.35 -4.22 -0.05 0.00 2.84 0.00 0.00 34.83 33.05 2nef s MET 79 CO 0.45 -1.70 0.72 0.95 -0.65 0.00 0.00 175.02 174.78 2nef s THR 80 N 6.71 4.78 0.31 10.11 -4.23 -1.26 -4.91 115.64 127.15 2nef s THR 80 Ca 0.87 1.52 0.07 0.00 -1.18 0.00 0.00 61.69 62.97 2nef s THR 80 Cb -0.30 -4.06 0.30 0.00 1.34 0.00 0.00 72.50 69.79 2nef s THR 80 CO 0.34 0.38 1.74 0.22 -0.54 0.00 0.00 174.62 176.77 2nef h TYR 81 N 5.67 1.00 -0.62 3.99 3.20 -1.92 2.49 116.97 130.78 2nef h TYR 81 Ca -0.44 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 2nef h TYR 81 Cb 1.20 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2nef h TYR 81 CO 0.65 0.12 0.36 -0.22 -1.64 0.00 0.00 178.16 177.44 2nef h LYS 82 N 0.64 0.84 -0.17 1.82 3.64 -1.95 -1.26 116.57 120.13 2nef h LYS 82 Ca 0.61 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.84 2nef h LYS 82 Cb 1.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2nef h LYS 82 CO -0.44 0.60 -0.22 0.00 -2.27 0.00 0.00 179.45 177.11 2nef h ALA 83 N 1.55 1.32 0.20 5.00 0.00 0.39 -0.80 119.26 126.92 2nef h ALA 83 Ca 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2nef h ALA 83 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2nef h ALA 83 CO -0.04 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.57 2nef h ALA 84 N 1.51 -0.27 -0.30 0.00 0.00 0.01 0.28 119.26 120.48 2nef h ALA 84 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2nef h ALA 84 Cb 0.54 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2nef h ALA 84 CO 0.04 -0.56 0.12 0.28 0.00 0.00 0.00 179.25 179.13 2nef h VAL 85 N -0.46 1.18 -0.16 0.00 2.07 -1.35 0.52 116.25 118.04 2nef h VAL 85 Ca -0.03 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2nef h VAL 85 Cb 0.35 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2nef h VAL 85 CO 0.05 0.18 0.06 0.44 0.02 0.00 0.00 177.57 178.32 2nef h ASP 86 N 0.34 0.08 -0.75 0.57 5.19 -1.08 -2.05 116.42 118.73 2nef h ASP 86 Ca 0.10 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 2nef h ASP 86 Cb 0.17 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 2nef h ASP 86 CO -0.01 0.07 0.33 0.25 -3.12 0.00 0.00 179.24 176.77 2nef h LEU 87 N 0.15 1.01 0.08 1.55 5.85 -0.16 -0.58 115.31 123.21 2nef h LEU 87 Ca 0.07 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2nef h LEU 87 Cb 0.03 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2nef h LEU 87 CO -0.06 0.88 -0.36 0.77 -0.34 0.00 0.00 178.44 179.33 2nef h SER 88 N 1.09 -1.06 0.96 1.25 4.64 0.73 -1.58 113.55 119.59 2nef h SER 88 Ca 0.26 0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.64 2nef h SER 88 Cb 0.16 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2nef h SER 88 CO -0.03 -0.43 -0.31 0.45 -0.87 0.00 0.00 176.83 175.64 2nef h HIS 89 N -0.56 0.00 0.91 4.77 3.86 -1.36 -2.86 115.15 119.91 2nef h HIS 89 Ca 0.04 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2nef h HIS 89 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2nef h HIS 89 CO -0.34 0.31 -0.49 0.35 0.86 0.00 0.00 177.93 178.62 2nef h PHE 90 N 0.00 -1.29 0.00 2.45 3.57 -0.17 -2.19 116.94 119.31 2nef h PHE 90 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2nef h PHE 90 Cb 0.88 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 2nef h PHE 90 CO 0.00 -0.76 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.24 2nef h LEU 91 N -1.29 0.00 -1.78 0.59 3.38 -1.40 -1.56 115.31 113.25 2nef h LEU 91 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2nef h LEU 91 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2nef h LEU 91 CO 0.17 0.00 0.04 0.50 0.09 0.00 0.00 178.44 179.25 2nef h LYS 92 N 0.00 0.18 0.00 1.13 3.64 -1.16 1.13 116.57 121.49 2nef h LYS 92 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2nef h LYS 92 Cb 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2nef h LYS 92 CO 0.00 0.17 0.00 0.39 -2.27 0.00 0.00 179.45 177.74 2nef n GLU 93 N -4.47 0.00 0.12 1.90 1.02 -0.59 -4.19 120.64 114.43 2nef n GLU 93 Ca -0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 2nef n GLU 93 Cb 0.12 -0.51 -0.15 0.00 -0.02 0.00 0.00 31.44 30.88 2nef n GLU 93 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2nef h LYS 94 N 0.00 0.52 0.00 3.49 2.10 -1.66 -3.39 116.57 117.64 2nef h LYS 94 Ca 0.00 -0.84 0.00 0.00 -2.00 0.00 0.00 60.65 57.81 2nef h LYS 94 Cb 0.00 0.30 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2nef h LYS 94 CO 0.00 1.40 0.00 0.41 -2.00 0.00 0.00 179.45 179.26 2nef n GLY 95 N 1.63 -3.15 0.79 0.07 0.00 0.12 -4.60 105.19 100.05 2nef n GLY 95 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2nef n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nef n GLY 96 N -0.69 0.69 0.12 -0.02 0.00 0.35 -4.75 105.19 100.89 2nef n GLY 96 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.66 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N 0.00 0.00 -9.33 0.99 5.85 -1.91 -3.43 115.31 107.48 2nef h LEU 97 Ca 0.00 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.10 2nef h LEU 97 Cb 0.64 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.80 2nef h LEU 97 CO 0.00 0.60 -0.20 1.21 -0.34 0.00 0.00 178.44 179.70 2nef n GLU 98 N -3.20 0.78 -0.53 1.25 2.13 -1.26 0.10 120.64 119.91 2nef n GLU 98 Ca 0.00 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2nef n GLU 98 Cb 0.78 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.94 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nef n GLY 99 N 1.59 0.03 3.62 8.31 0.00 -0.14 -4.90 105.19 113.70 2nef n GLY 99 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2nef n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nef s LEU 100 N 0.00 3.74 -0.34 0.99 2.96 0.12 -4.76 118.68 121.38 2nef s LEU 100 Ca 0.00 1.17 -0.28 0.00 -0.22 0.00 0.00 54.13 54.81 2nef s LEU 100 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 2nef s LEU 100 CO 0.00 -1.31 2.03 -0.63 -1.32 0.00 0.00 176.35 175.12 2nef s ILE 101 N 5.20 3.24 -0.42 6.68 -1.09 -1.26 -3.06 121.20 130.49 2nef s ILE 101 Ca 0.64 0.23 -0.27 0.00 -2.23 0.00 0.00 60.65 59.01 2nef s ILE 101 Cb -0.18 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2nef s ILE 101 CO 0.29 -0.27 2.05 -2.28 -1.23 0.00 0.00 174.94 173.50 2nef s HIS 102 N 8.33 1.46 0.00 3.97 5.65 0.58 -4.87 115.29 130.40 2nef s HIS 102 Ca 0.88 0.90 0.00 0.00 0.25 0.00 0.00 55.06 57.09 2nef s HIS 102 Cb -0.24 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.22 2nef s HIS 102 CO 0.32 -2.89 0.44 -1.13 -0.65 0.00 0.00 174.74 170.82 2nef n SER 103 N 12.66 0.00 0.00 9.88 3.41 -1.26 -3.32 113.62 134.99 2nef n SER 103 Ca 0.27 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2nef n SER 103 Cb 0.50 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2nef n GLN 104 N -1.98 0.00 0.05 4.33 0.00 -1.26 -4.37 117.38 114.15 2nef n GLN 104 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.10 2nef n GLN 104 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 30.24 30.65 2nef n GLN 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2nef n ARG 105 N -1.29 0.09 0.08 3.69 0.63 -1.26 -2.96 116.66 115.64 2nef n ARG 105 Ca 0.00 0.29 0.20 0.00 -0.92 0.00 0.00 57.85 57.42 2nef n ARG 105 Cb 0.00 -1.66 0.74 0.00 0.45 0.00 0.00 32.46 32.00 2nef n ARG 105 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2nef h ARG 106 N 0.00 0.00 -0.04 -0.14 9.65 -1.95 -1.21 114.38 120.69 2nef h ARG 106 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2nef h ARG 106 Cb 0.35 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 2nef h ARG 106 CO 0.00 0.00 0.02 0.37 2.80 0.00 0.00 179.97 183.16 2nef h GLN 107 N 0.00 0.06 -0.53 0.20 4.15 -1.94 -2.99 115.11 114.06 2nef h GLN 107 Ca 0.20 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.65 2nef h GLN 107 Cb 0.94 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.58 2nef h GLN 107 CO -0.00 0.21 0.28 -0.44 -1.93 0.00 0.00 178.83 176.95 2nef h ASP 108 N -0.10 0.40 -0.21 -0.69 3.32 -1.46 -2.84 116.42 114.84 2nef h ASP 108 Ca 0.01 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2nef h ASP 108 Cb 0.18 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 2nef h ASP 108 CO -0.00 0.28 -0.54 0.40 -1.72 0.00 0.00 179.24 177.66 2nef h ILE 109 N 0.53 0.00 -0.37 0.35 1.08 -1.39 0.21 117.51 117.93 2nef h ILE 109 Ca 0.23 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.75 2nef h ILE 109 Cb 0.13 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.80 2nef h ILE 109 CO -0.16 0.00 -0.56 0.25 -0.69 0.00 0.00 178.15 177.00 2nef h LEU 110 N -0.52 -1.85 -0.81 1.44 5.85 -1.39 0.65 115.31 118.67 2nef h LEU 110 Ca 0.04 0.24 0.16 0.00 0.84 0.00 0.00 57.88 59.16 2nef h LEU 110 Cb 0.65 0.75 -0.10 0.00 0.37 0.00 0.00 40.66 42.33 2nef h LEU 110 CO -0.47 -0.41 0.34 0.44 -0.34 0.00 0.00 178.44 177.99 2nef h ASP 111 N -0.42 0.32 -0.19 1.25 3.32 -1.18 -1.46 116.42 118.06 2nef h ASP 111 Ca 0.07 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2nef h ASP 111 Cb 0.61 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2nef h ASP 111 CO -0.58 0.09 0.08 0.25 -1.72 0.00 0.00 179.24 177.37 2nef h LEU 112 N 0.46 0.25 -0.45 1.55 5.85 0.15 -2.48 115.31 120.63 2nef h LEU 112 Ca 0.46 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.13 2nef h LEU 112 Cb 0.74 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 2nef h LEU 112 CO -0.44 0.32 -0.00 -0.25 -0.34 0.00 0.00 178.44 177.73 2nef h TRP 113 N 0.17 -0.03 -0.26 1.25 7.01 0.08 0.87 115.95 125.03 2nef h TRP 113 Ca 0.06 0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.17 2nef h TRP 113 Cb 0.14 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2nef h TRP 113 CO -0.02 -0.10 0.25 0.82 -2.79 0.00 0.00 178.44 176.60 2nef h ILE 114 N 0.11 0.55 0.00 2.65 2.04 -1.18 -2.86 117.51 118.83 2nef h ILE 114 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2nef h ILE 114 Cb 0.32 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2nef h ILE 114 CO -0.37 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.78 2nef n TYR 115 N -3.96 0.00 0.33 1.37 9.36 0.30 -1.48 117.16 123.08 2nef n TYR 115 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 2nef n TYR 115 Cb 0.40 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 2nef n TYR 115 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2nef n HIS 116 N -1.17 0.00 0.00 2.98 1.44 -1.06 -1.76 115.22 115.64 2nef n HIS 116 Ca 0.00 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2nef n HIS 116 Cb 0.00 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.06 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2nef n THR 117 N 0.41 0.00 0.50 0.61 -2.24 -1.08 -4.24 114.28 108.23 2nef n THR 117 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2nef n THR 117 Cb 0.10 -0.22 0.30 0.00 -2.10 0.00 0.00 70.33 68.40 2nef n THR 117 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2nef h GLN 118 N 0.00 0.00 0.00 -0.78 4.20 -1.56 -3.43 115.11 113.54 2nef h GLN 118 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nef h GLN 118 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2nef h GLN 118 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2nef n GLY 119 N 1.26 0.41 3.75 3.46 0.00 -0.55 -4.61 105.19 108.91 2nef n GLY 119 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -1.82 3.46 0.16 1.61 2.02 -1.23 -4.66 117.35 116.89 2nef s TYR 120 Ca 0.00 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.96 2nef s TYR 120 Cb 0.00 -3.39 -0.07 0.00 -0.40 0.00 0.00 41.96 38.10 2nef s TYR 120 CO 0.00 -0.95 0.96 0.12 -1.57 0.00 0.00 175.55 174.11 2nef s PHE 121 N -0.74 3.88 -0.61 2.71 2.19 -1.26 -4.44 117.98 119.70 2nef s PHE 121 Ca 0.48 1.84 -0.28 0.00 0.33 0.00 0.00 56.93 59.30 2nef s PHE 121 Cb -0.33 -3.03 0.03 0.00 -1.31 0.00 0.00 43.02 38.38 2nef s PHE 121 CO 0.41 0.29 1.23 -1.25 1.83 0.00 0.00 175.22 177.72 2nef s PRO 122 N -0.48 3.43 0.00 10.12 0.04 -1.26 -4.63 135.00 142.22 2nef s PRO 122 Ca 0.45 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2nef s PRO 122 Cb -0.25 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2nef s PRO 122 CO 0.31 -1.80 0.39 -0.40 0.04 0.00 0.00 177.00 175.54 2nef n ASP 123 N 8.72 0.00 -0.02 6.66 5.75 -1.26 -4.90 116.55 131.51 2nef n ASP 123 Ca 0.08 -1.06 0.05 0.00 -0.01 0.00 0.00 54.79 53.84 2nef n ASP 123 Cb 0.49 -0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 2nef n TRP 124 N 0.00 0.00 -2.38 2.11 4.27 -1.26 -4.91 117.44 115.27 2nef n TRP 124 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 2nef n TRP 124 Cb 0.51 -0.41 -0.02 0.00 -1.36 0.00 0.00 31.31 30.03 2nef n TRP 124 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2nef s GLN 125 N -2.94 3.87 -0.50 -2.67 -2.07 -1.26 -4.47 119.66 109.63 2nef s GLN 125 Ca -0.06 1.26 0.07 0.00 -1.82 0.00 0.00 55.36 54.81 2nef s GLN 125 Cb 0.09 -3.91 0.21 0.00 -1.09 0.00 0.00 33.01 28.31 2nef s GLN 125 CO 0.62 -1.18 0.77 0.09 -1.32 0.00 0.00 175.29 174.28 2nef n ASN 126 N 7.81 -3.09 -4.76 12.60 3.02 -1.26 -5.08 115.26 124.50 2nef n ASN 126 Ca 0.15 -3.04 -0.31 0.00 -0.03 0.00 0.00 54.58 51.35 2nef n ASN 126 Cb 0.47 1.67 0.10 0.00 -0.61 0.00 0.00 39.78 41.40 2nef n ASN 126 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2nef s TYR 127 N 0.74 2.57 0.17 3.10 1.51 -1.26 -2.57 117.35 121.61 2nef s TYR 127 Ca 0.31 1.47 -0.32 0.00 -1.01 0.00 0.00 57.07 57.52 2nef s TYR 127 Cb 0.09 -3.06 -0.11 0.00 -0.11 0.00 0.00 41.96 38.77 2nef s TYR 127 CO -0.13 -1.89 1.77 0.95 -1.11 0.00 0.00 175.55 175.14 2nef s THR 128 N -2.93 2.24 -1.22 -0.71 -4.23 -0.55 -4.82 115.64 103.41 2nef s THR 128 Ca 0.61 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 61.01 2nef s THR 128 Cb -0.17 -3.02 0.15 0.00 1.34 0.00 0.00 72.50 70.80 2nef s THR 128 CO 0.56 0.00 1.48 -2.16 -0.54 0.00 0.00 174.62 173.97 2nef s PRO 129 N 1.82 4.07 0.00 3.99 0.04 -1.26 -4.50 135.00 139.16 2nef s PRO 129 Ca 0.77 -2.48 0.00 0.00 0.04 0.00 0.00 61.00 59.33 2nef s PRO 129 Cb -0.48 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 28.92 2nef s PRO 129 CO 0.34 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2nef n GLY 130 N 4.33 -2.20 3.74 0.56 0.00 -1.26 -5.15 105.19 105.22 2nef n GLY 130 Ca 0.39 0.74 -0.35 0.00 0.00 0.00 0.00 46.02 46.79 2nef n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nef s PRO 131 N -0.89 2.68 0.09 1.61 0.04 -1.26 -4.95 135.00 132.32 2nef s PRO 131 Ca 0.00 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 2nef s PRO 131 Cb 0.00 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 2nef s PRO 131 CO 0.00 -1.42 1.67 0.78 0.04 0.00 0.00 177.00 178.07 2nef h GLY 132 N 0.43 -0.46 -7.40 0.56 0.00 -1.98 -3.34 103.07 90.88 2nef h GLY 132 Ca -0.49 0.20 -0.52 0.00 0.00 0.00 0.00 47.33 46.52 2nef h GLY 132 CO 0.53 -0.18 1.17 -0.42 0.00 0.00 0.00 176.54 177.64 2nef s ILE 133 N -6.11 3.59 -0.49 2.60 1.09 -1.26 -4.52 121.20 116.10 2nef s ILE 133 Ca -0.15 0.31 -0.29 0.00 -1.10 0.00 0.00 60.65 59.42 2nef s ILE 133 Cb 0.06 -4.56 0.03 0.00 -1.06 0.00 0.00 42.46 36.93 2nef s ILE 133 CO 0.64 -1.51 1.16 -0.13 -0.10 0.00 0.00 174.94 175.00 2nef s ARG 134 N 6.22 3.69 0.31 2.79 0.52 -1.04 -4.94 118.95 126.49 2nef s ARG 134 Ca 0.47 0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 56.05 2nef s ARG 134 Cb -0.10 -3.93 -0.09 0.00 0.52 0.00 0.00 34.95 31.36 2nef s ARG 134 CO 0.17 -1.43 0.77 0.71 0.02 0.00 0.00 175.30 175.54 2nef s TYR 135 N 4.56 3.47 -0.29 -0.53 2.02 -1.26 -2.80 117.35 122.52 2nef s TYR 135 Ca 0.48 1.35 -0.29 0.00 -0.37 0.00 0.00 57.07 58.24 2nef s TYR 135 Cb -0.07 -2.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 2nef s TYR 135 CO 0.31 0.15 1.24 -1.25 -1.57 0.00 0.00 175.55 174.43 2nef s PRO 136 N -2.65 4.00 0.14 -1.71 0.04 -1.26 -1.49 135.00 132.07 2nef s PRO 136 Ca 0.52 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 2nef s PRO 136 Cb -0.12 -3.82 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 2nef s PRO 136 CO 0.18 -1.00 1.78 -0.07 0.04 0.00 0.00 177.00 177.93 2nef h LEU 137 N 10.50 0.43-10.15 -3.56 3.38 -1.81 -3.43 115.31 110.67 2nef h LEU 137 Ca -0.25 -0.04 -0.52 0.00 0.09 0.00 0.00 57.88 57.16 2nef h LEU 137 Cb 1.09 -0.11 0.11 0.00 0.09 0.00 0.00 40.66 41.84 2nef h LEU 137 CO 1.02 0.34 0.41 0.42 0.09 0.00 0.00 178.44 180.73 2nef s THR 138 N -6.04 2.90 0.22 0.22 -4.23 -1.26 -5.02 115.64 102.43 2nef s THR 138 Ca -0.13 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 2nef s THR 138 Cb 0.10 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 2nef s THR 138 CO 0.72 -0.20 0.40 0.12 -0.54 0.00 0.00 174.62 175.12 2nef s PHE 139 N -1.98 3.48 0.00 3.99 5.36 -1.26 -4.39 117.98 123.18 2nef s PHE 139 Ca 0.72 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 2nef s PHE 139 Cb -0.25 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 2nef s PHE 139 CO 0.37 0.37 0.00 0.41 -1.46 0.00 0.00 175.22 174.91 2nef n GLY 140 N -0.93 2.85 3.55 13.12 0.00 -1.26 -4.89 105.19 117.63 2nef n GLY 140 Ca -0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2nef n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2nef s TRP 141 N -0.80 2.23 -0.20 1.61 -0.00 -1.26 -3.62 118.94 116.91 2nef s TRP 141 Ca 0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 56.10 56.19 2nef s TRP 141 Cb 0.00 -4.55 0.08 0.00 -0.00 0.00 0.00 33.47 29.01 2nef s TRP 141 CO 0.00 -2.07 2.24 0.00 -0.00 0.00 0.00 176.95 177.13 2nef s TYR 143 N -0.96 3.03 -0.20 0.00 1.51 -1.26 -1.76 117.35 117.71 2nef s TYR 143 Ca 0.27 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 2nef s TYR 143 Cb 0.19 -1.95 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 2nef s TYR 143 CO -0.03 -0.01 -0.03 0.21 -1.11 0.00 0.00 175.55 174.58 2nef s LYS 144 N 0.29 1.32 0.53 -0.62 2.20 -1.10 -4.16 119.74 118.20 2nef s LYS 144 Ca -0.03 -0.66 -0.19 0.00 -0.36 0.00 0.00 55.97 54.73 2nef s LYS 144 Cb -0.14 -2.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.89 2nef s LYS 144 CO 0.03 -0.54 1.08 -0.51 -0.36 0.00 0.00 175.35 175.05 2nef s LEU 145 N 1.60 3.73 -0.21 5.43 1.43 -1.12 -1.69 118.68 127.85 2nef s LEU 145 Ca -0.02 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 2nef s LEU 145 Cb -0.17 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.55 2nef s LEU 145 CO -0.07 -1.06 0.51 -0.69 0.23 0.00 0.00 176.35 175.27 2nef s VAL 146 N -1.98 -0.05 0.81 -1.59 1.01 -1.10 -2.51 120.40 114.99 2nef s VAL 146 Ca 0.69 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 2nef s VAL 146 Cb -0.20 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.50 2nef s VAL 146 CO 0.26 0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.33 2nef s PRO 147 N 1.55 2.01 0.13 2.72 0.04 -1.26 -2.79 135.00 137.39 2nef s PRO 147 Ca -0.09 0.55 -0.24 0.00 0.04 0.00 0.00 61.00 61.26 2nef s PRO 147 Cb -0.07 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2nef s PRO 147 CO -0.15 -1.65 0.75 0.08 0.04 0.00 0.00 177.00 176.06 2nef s VAL 148 N -3.21 4.48 0.46 -0.36 1.01 -1.26 -4.96 120.40 116.57 2nef s VAL 148 Ca 0.61 1.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.99 2nef s VAL 148 Cb -0.14 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 2nef s VAL 148 CO 0.54 0.50 1.14 -1.61 0.00 0.00 0.00 175.10 175.67 2nef s GLU 149 N -0.95 3.76 0.00 2.72 2.02 -1.26 -4.90 118.70 120.09 2nef s GLU 149 Ca 0.35 1.71 0.00 0.00 0.02 0.00 0.00 54.97 57.05 2nef s GLU 149 Cb -0.22 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.64 2nef s GLU 149 CO 0.25 -0.53 0.50 -0.35 0.02 0.00 0.00 175.26 175.14 2nef n PRO 150 N -0.55 0.86 -1.59 0.39 -0.04 -1.26 -4.76 135.00 128.05 2nef n PRO 150 Ca 0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 2nef n PRO 150 Cb 0.49 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.46 2nef n PRO 150 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2nef s GLU 151 N -0.81 1.12 -0.01 0.54 2.02 -1.26 -4.63 118.70 115.67 2nef s GLU 151 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2nef s GLU 151 Cb 0.00 -4.97 0.02 0.00 0.10 0.00 0.00 34.13 29.28 2nef s GLU 151 CO 0.00 -5.57 0.57 0.36 0.02 0.00 0.00 175.26 170.64 2nef n LYS 152 N 8.18 1.10 -1.05 1.61 2.85 -1.26 -4.31 118.16 125.28 2nef n LYS 152 Ca 0.41 -0.08 -0.15 0.00 -1.05 0.00 0.00 58.31 57.44 2nef n LYS 152 Cb 0.47 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 33.27 2nef n LYS 152 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2nef n LEU 153 N 0.05 5.72 0.00 -5.58 7.94 -1.26 -4.65 117.00 119.22 2nef n LEU 153 Ca 0.01 -3.32 0.00 0.00 -1.11 0.00 0.00 56.01 51.59 2nef n LEU 153 Cb 0.29 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 42.96 2nef n LEU 153 CO 0.01 1.56 0.00 -1.84 -1.11 0.00 0.00 177.39 176.00 2nef n GLU 154 N 1.68 0.00 0.00 1.96 0.28 -1.26 -5.06 120.64 118.24 2nef n GLU 154 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 2nef n GLU 154 Cb 0.72 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.59 2nef n GLU 154 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2nef n GLU 155 N 0.00 0.00 -0.31 3.44 -0.00 -1.26 -4.94 120.64 117.58 2nef n GLU 155 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2nef n GLU 155 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2nef n GLU 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2nef n ALA 156 N 0.00 3.10 -1.78 -1.84 0.00 -1.26 -4.86 120.51 113.87 2nef n ALA 156 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2nef n ALA 156 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 2nef n ALA 156 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2nef s ASN 157 N 1.91 6.22 -0.37 0.00 3.04 -1.26 -4.96 114.94 119.52 2nef s ASN 157 Ca 0.00 2.21 0.05 0.00 0.04 0.00 0.00 52.86 55.16 2nef s ASN 157 Cb 0.00 -2.59 0.28 0.00 -1.54 0.00 0.00 41.25 37.39 2nef s ASN 157 CO 0.00 -0.87 1.24 1.17 -3.04 0.00 0.00 177.10 175.60 2nef n LYS 158 N -0.57 0.60 -3.68 0.43 4.81 -1.26 -5.13 118.16 113.36 2nef n LYS 158 Ca 0.08 -1.26 -0.11 0.00 -0.87 0.00 0.00 58.31 56.14 2nef n LYS 158 Cb 0.49 -0.32 -0.12 0.00 0.02 0.00 0.00 35.03 35.10 2nef n LYS 158 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2nef s ASP 174 N -0.68 -0.11 0.24 3.14 1.47 -1.26 -5.04 116.67 114.43 2nef s ASP 174 Ca 0.17 0.73 0.00 0.00 1.18 0.00 0.00 52.55 54.63 2nef s ASP 174 Cb 0.26 0.79 0.00 0.00 -0.34 0.00 0.00 42.92 43.63 2nef s ASP 174 CO -0.09 -0.21 0.00 0.47 0.68 0.00 0.00 175.17 176.01 2nef n ASP 175 N 4.87 -1.84 -4.55 2.11 8.00 -1.26 -5.14 116.55 118.75 2nef n ASP 175 Ca -0.15 0.46 -0.29 0.00 0.71 0.00 0.00 54.79 55.52 2nef n ASP 175 Cb 0.52 1.91 0.23 0.00 -0.02 0.00 0.00 41.12 43.75 2nef n ASP 175 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2nef s PRO 176 N -1.54 -0.31 0.00 -0.24 0.04 -1.26 -4.85 135.00 126.85 2nef s PRO 176 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2nef s PRO 176 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2nef s PRO 176 CO 0.00 -3.41 0.70 0.39 0.04 0.00 0.00 177.00 174.72 2nef n GLU 177 N -4.73 1.00 -2.66 4.56 -0.58 -1.26 -4.86 120.64 112.11 2nef n GLU 177 Ca 0.06 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.42 2nef n GLU 177 Cb 0.53 -1.30 -0.05 0.00 -0.57 0.00 0.00 31.44 30.05 2nef n GLU 177 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2nef s ARG 178 N -0.60 4.59 -0.77 3.49 0.52 -1.26 -4.95 118.95 119.96 2nef s ARG 178 Ca 0.00 1.51 -0.26 0.00 -0.52 0.00 0.00 55.73 56.46 2nef s ARG 178 Cb 0.00 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.52 2nef s ARG 178 CO 0.00 0.25 1.49 -1.21 0.02 0.00 0.00 175.30 175.85 2nef s GLU 179 N -1.77 3.09 -1.05 3.54 2.02 -1.26 -4.92 118.70 118.35 2nef s GLU 179 Ca 0.48 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 55.11 2nef s GLU 179 Cb -0.24 -4.51 0.18 0.00 0.10 0.00 0.00 34.13 29.66 2nef s GLU 179 CO 0.30 -2.39 1.20 0.08 0.02 0.00 0.00 175.26 174.48 2nef s VAL 180 N 6.68 5.13 0.00 2.63 1.01 -1.26 -4.53 120.40 130.06 2nef s VAL 180 Ca 0.47 -2.35 0.07 0.00 0.00 0.00 0.00 61.98 60.17 2nef s VAL 180 Cb -0.07 -4.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.51 2nef s VAL 180 CO 0.11 -1.45 -0.20 -0.76 0.00 0.00 0.00 175.10 172.79 2nef s LEU 181 N 1.41 2.45 -0.07 3.92 1.43 -1.21 -4.15 118.68 122.45 2nef s LEU 181 Ca 0.35 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2nef s LEU 181 Cb -0.05 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 2nef s LEU 181 CO -0.06 0.30 -0.09 -1.83 0.23 0.00 0.00 176.35 174.90 2nef s GLU 182 N -1.02 2.79 -0.31 1.70 -1.05 -1.12 0.22 118.70 119.91 2nef s GLU 182 Ca 0.12 -0.59 -0.29 0.00 -0.15 0.00 0.00 54.97 54.06 2nef s GLU 182 Cb -0.10 -2.56 -0.01 0.00 -0.44 0.00 0.00 34.13 31.02 2nef s GLU 182 CO 0.02 0.60 1.54 -1.58 0.95 0.00 0.00 175.26 176.79 2nef s TRP 183 N -0.64 2.23 -0.71 4.83 0.51 -1.17 -2.70 118.94 121.29 2nef s TRP 183 Ca 0.10 0.65 -0.20 0.00 -2.12 0.00 0.00 56.10 54.53 2nef s TRP 183 Cb -0.11 -4.08 0.11 0.00 -0.81 0.00 0.00 33.47 28.57 2nef s TRP 183 CO 0.02 -2.47 0.88 0.50 -0.51 0.00 0.00 176.95 175.37 2nef s ARG 184 N 4.84 3.23 0.16 4.98 3.52 -0.68 -0.97 118.95 134.03 2nef s ARG 184 Ca 0.68 -1.37 -0.31 0.00 -0.13 0.00 0.00 55.73 54.60 2nef s ARG 184 Cb -0.20 -4.42 -0.09 0.00 -1.56 0.00 0.00 34.95 28.68 2nef s ARG 184 CO 0.30 -1.66 1.50 0.12 -0.81 0.00 0.00 175.30 174.75 2nef s PHE 185 N 2.90 3.12 -0.46 5.12 2.19 -1.26 -2.70 117.98 126.89 2nef s PHE 185 Ca 0.20 0.77 0.06 0.00 0.33 0.00 0.00 56.93 58.30 2nef s PHE 185 Cb -0.17 -3.84 0.23 0.00 -1.31 0.00 0.00 43.02 37.94 2nef s PHE 185 CO 0.03 -3.01 0.73 -3.47 1.83 0.00 0.00 175.22 171.33 2nef n ASP 186 N 3.80 -2.06 0.02 6.13 -0.08 -0.72 -4.97 116.55 118.67 2nef n ASP 186 Ca 0.12 -3.02 0.00 0.00 -1.51 0.00 0.00 54.79 50.39 2nef n ASP 186 Cb 0.40 1.03 0.02 0.00 2.34 0.00 0.00 41.12 44.91 2nef n ASP 186 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2nef n SER 187 N 1.91 0.02 -0.21 1.67 7.64 -1.26 -0.80 113.62 122.59 2nef n SER 187 Ca 0.15 0.15 0.05 0.00 1.01 0.00 0.00 58.87 60.24 2nef n SER 187 Cb 0.58 -0.13 0.32 0.00 -1.01 0.00 0.00 64.21 63.97 2nef n SER 187 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2nef h ARG 188 N 0.00 0.81 0.00 1.43 2.43 -1.93 0.69 114.38 117.81 2nef h ARG 188 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2nef h ARG 188 Cb 0.80 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2nef h ARG 188 CO 0.00 0.54 0.00 1.28 -1.51 0.00 0.00 179.97 180.28 2nef n LEU 189 N -4.48 0.00 0.13 3.80 4.77 0.02 -2.13 117.00 119.12 2nef n LEU 189 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2nef n LEU 189 Cb 0.20 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.78 2nef n LEU 189 CO 0.34 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 177.26 2nef n ALA 190 N -0.87 1.75 0.00 -1.18 0.00 0.24 -4.30 120.51 116.15 2nef n ALA 190 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2nef n ALA 190 Cb 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2nef n ALA 190 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -2.27 -0.11 -1.29 0.00 -1.74 -0.91 -4.86 117.46 106.28 2nef n PHE 191 Ca 0.03 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.52 2nef n PHE 191 Cb 0.26 0.37 -0.03 0.00 1.52 0.00 0.00 39.48 41.61 2nef n PHE 191 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 2nef n HIS 192 N -2.25 2.38 -1.54 2.97 -0.00 -0.91 -4.88 115.22 110.99 2nef n HIS 192 Ca 0.00 -2.31 -0.36 0.00 -0.00 0.00 0.00 57.72 55.05 2nef n HIS 192 Cb 0.00 -2.04 -0.05 0.00 -0.00 0.00 0.00 29.99 27.90 2nef n HIS 192 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2nef n HIS 193 N 6.28 1.25 0.09 1.57 1.44 -1.26 -4.57 115.22 120.01 2nef n HIS 193 Ca 0.52 0.16 -0.12 0.00 -2.01 0.00 0.00 57.72 56.27 2nef n HIS 193 Cb 0.35 -2.57 -0.12 0.00 0.12 0.00 0.00 29.99 27.77 2nef n HIS 193 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2nef h MET 194 N 17.94 0.17 -1.08 -1.40 2.86 -1.89 -3.24 114.93 128.28 2nef h MET 194 Ca -0.19 -0.27 0.30 0.00 -2.06 0.00 0.00 59.70 57.47 2nef h MET 194 Cb 1.26 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.95 2nef h MET 194 CO 1.20 1.11 0.74 0.00 1.06 0.00 0.00 176.91 181.02 2nef h ALA 195 N 0.77 2.65 -0.08 6.32 0.00 -1.90 0.60 119.26 127.62 2nef h ALA 195 Ca -0.08 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 2nef h ALA 195 Cb 1.85 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2nef h ALA 195 CO 0.17 -1.01 -0.81 -0.09 0.00 0.00 0.00 179.25 177.50 2nef h ARG 196 N 0.19 0.56 -0.01 0.00 2.43 -1.87 -2.84 114.38 112.84 2nef h ARG 196 Ca 0.56 -0.49 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2nef h ARG 196 Cb 1.83 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.47 2nef h ARG 196 CO -0.15 1.12 -0.53 1.49 -1.51 0.00 0.00 179.97 180.39 2nef h GLU 197 N 0.37 0.03 0.00 0.20 4.81 -0.01 -3.26 114.58 116.71 2nef h GLU 197 Ca -0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2nef h GLU 197 Cb 1.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.80 2nef h GLU 197 CO 0.15 0.55 0.00 1.28 -0.73 0.00 0.00 179.01 180.26 2nef n LEU 198 N -3.91 0.24 -3.43 1.64 4.32 -0.10 -4.85 117.00 110.91 2nef n LEU 198 Ca -0.01 0.54 -0.24 0.00 -0.02 0.00 0.00 56.01 56.27 2nef n LEU 198 Cb 0.54 -0.45 -0.11 0.00 -1.62 0.00 0.00 43.42 41.78 2nef n LEU 198 CO 0.41 -0.45 -0.25 -1.00 -1.22 0.00 0.00 177.39 174.88 2nef s HIS 199 N -1.23 0.23 -1.29 -1.77 3.76 -1.08 -4.98 115.29 108.94 2nef s HIS 199 Ca 0.00 -1.15 0.28 0.00 -0.15 0.00 0.00 55.06 54.04 2nef s HIS 199 Cb 0.00 -0.70 1.05 0.00 1.11 0.00 0.00 32.58 34.04 2nef s HIS 199 CO 0.00 -0.88 1.77 -0.35 -0.85 0.00 0.00 174.74 174.43 2nef n PRO 200 N 4.35 0.30 0.24 8.40 -0.04 -1.23 -4.10 135.00 142.92 2nef n PRO 200 Ca 0.09 -0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2nef n PRO 200 Cb 0.41 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.62 2nef n PRO 200 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2nef h GLU 201 N 0.25 0.00 0.01 0.54 5.08 -1.93 0.29 114.58 118.81 2nef h GLU 201 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2nef h GLU 201 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2nef h GLU 201 CO 0.00 0.00 -0.06 1.88 -1.00 0.00 0.00 179.01 179.83 2nef h TYR 202 N 0.00 0.05 -0.74 4.33 -1.99 -1.99 -3.29 116.97 113.34 2nef h TYR 202 Ca 0.00 -0.03 -0.41 0.00 2.00 0.00 0.00 58.73 60.29 2nef h TYR 202 Cb 1.25 -0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.82 2nef h TYR 202 CO 0.00 0.92 0.38 1.19 -0.00 0.00 0.00 178.16 180.65 2nef n PHE 203 N -4.62 1.54 0.33 4.88 3.72 0.10 -4.57 117.46 118.84 2nef n PHE 203 Ca -0.10 -1.96 0.17 0.00 -0.05 0.00 0.00 57.45 55.51 2nef n PHE 203 Cb 0.46 -1.18 0.90 0.00 -0.94 0.00 0.00 39.48 38.72 2nef n PHE 203 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2nef h LYS 204 N 2.24 0.00 -5.47 -1.08 2.10 -1.62 -3.37 116.57 109.36 2nef h LYS 204 Ca 0.34 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.38 2nef h LYS 204 Cb 0.84 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.05 2nef h LYS 204 CO 0.81 0.00 0.12 1.21 -2.00 0.00 0.00 179.45 179.59 2nef s ASN 205 N -4.57 6.52 0.00 7.07 2.47 -1.26 -5.12 114.94 120.05 2nef s ASN 205 Ca -0.04 0.59 0.00 0.00 0.42 0.00 0.00 52.86 53.83 2nef s ASN 205 Cb 0.10 -2.32 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 2nef s ASN 205 CO 0.30 -0.39 0.00 0.00 -3.72 0.00 0.00 177.10 173.30