#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.00 1.72 0.00 -0.00 -1.26 -4.47 117.44 113.43 2nef n TRP 57 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 57.65 2nef n TRP 57 Cb 0.00 0.00 0.74 0.00 -0.00 0.00 0.00 31.31 32.05 2nef n TRP 57 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2nef n LEU 58 N 0.00 0.60 -4.56 5.87 7.94 -1.26 -4.66 117.00 120.93 2nef n LEU 58 Ca 0.00 -0.17 -0.37 0.00 -1.11 0.00 0.00 56.01 54.36 2nef n LEU 58 Cb 0.00 -0.03 -0.04 0.00 0.53 0.00 0.00 43.42 43.88 2nef n LEU 58 CO 0.00 0.10 1.43 -0.70 -1.11 0.00 0.00 177.39 177.12 2nef s GLU 59 N -2.08 3.26 0.00 1.96 2.56 -1.26 -4.95 118.70 118.18 2nef s GLU 59 Ca 0.41 -0.85 0.00 0.00 0.00 0.00 0.00 54.97 54.53 2nef s GLU 59 Cb 0.21 -5.25 0.00 0.00 2.00 0.00 0.00 34.13 31.09 2nef s GLU 59 CO 0.38 -2.57 0.00 0.00 -0.56 0.00 0.00 175.26 172.51 2nef n ALA 60 N 10.47 0.00 -0.81 6.30 0.00 -1.26 -4.63 120.51 130.58 2nef n ALA 60 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 2nef n ALA 60 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 2nef n ALA 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nef n GLN 61 N 0.00 1.61 -1.97 0.00 3.00 -1.26 -4.89 117.38 113.87 2nef n GLN 61 Ca 0.00 -0.80 -0.32 0.00 -0.01 0.00 0.00 57.00 55.87 2nef n GLN 61 Cb 0.00 -1.90 0.01 0.00 0.00 0.00 0.00 30.24 28.35 2nef n GLN 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2nef s GLU 62 N 1.37 3.49 0.00 -1.09 2.12 -1.26 -4.89 118.70 118.44 2nef s GLU 62 Ca 0.54 0.93 0.06 0.00 0.36 0.00 0.00 54.97 56.85 2nef s GLU 62 Cb 0.26 -2.07 0.27 0.00 0.26 0.00 0.00 34.13 32.85 2nef s GLU 62 CO 0.00 -0.66 1.09 0.39 -0.54 0.00 0.00 175.26 175.54 2nef n GLU 63 N -2.41 0.05 -1.89 4.30 1.02 -1.26 -4.69 120.64 115.75 2nef n GLU 63 Ca 0.07 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 57.09 2nef n GLU 63 Cb 0.54 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 2nef n GLU 63 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2nef s GLU 64 N -2.73 4.19 -0.26 3.49 2.56 -1.26 -4.95 118.70 119.75 2nef s GLU 64 Ca 0.04 2.40 -0.26 0.00 0.00 0.00 0.00 54.97 57.16 2nef s GLU 64 Cb 0.04 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.86 2nef s GLU 64 CO 0.09 -0.68 0.88 -1.21 -0.56 0.00 0.00 175.26 173.79 2nef s GLU 65 N 1.70 4.16 0.00 4.30 8.01 -1.26 -4.96 118.70 130.64 2nef s GLU 65 Ca 0.72 0.98 0.00 0.00 0.01 0.00 0.00 54.97 56.68 2nef s GLU 65 Cb -0.43 -3.66 0.00 0.00 -4.31 0.00 0.00 34.13 25.72 2nef s GLU 65 CO 0.32 -0.59 0.00 0.28 0.01 0.00 0.00 175.26 175.28 2nef n VAL 66 N 5.36 0.00 -0.10 2.63 0.31 -1.26 -4.98 118.33 120.29 2nef n VAL 66 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2nef n VAL 66 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 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 0.00 0.71 2.62 2.92 0.00 -1.26 -4.90 105.19 105.27 2nef n GLY 67 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2nef n GLY 67 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2nef n PHE 68 N -2.00 -2.22 -0.97 1.61 -1.74 -1.26 -5.03 117.46 105.85 2nef n PHE 68 Ca 0.00 -2.48 -0.37 0.00 -0.56 0.00 0.00 57.45 54.03 2nef n PHE 68 Cb 0.00 1.20 0.05 0.00 1.52 0.00 0.00 39.48 42.25 2nef n PHE 68 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 2nef n PRO 69 N 0.33 -0.12 -0.02 3.97 -0.02 -1.26 -4.98 135.00 132.89 2nef n PRO 69 Ca 0.10 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2nef n PRO 69 Cb 0.69 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 2nef n PRO 69 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2nef n VAL 70 N -3.19 0.00 -3.07 -1.45 0.24 -1.26 -5.02 118.33 104.57 2nef n VAL 70 Ca -0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.91 2nef n VAL 70 Cb 0.67 -1.89 -0.06 0.00 -1.47 0.00 0.00 33.84 31.09 2nef n VAL 70 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2nef s THR 71 N -0.00 4.50 -0.81 3.34 -1.32 -1.26 -5.00 115.64 115.08 2nef s THR 71 Ca 0.00 1.47 -0.24 0.00 -1.21 0.00 0.00 61.69 61.71 2nef s THR 71 Cb 0.00 -3.99 0.05 0.00 -1.51 0.00 0.00 72.50 67.05 2nef s THR 71 CO 0.00 0.40 1.25 -2.16 -2.21 0.00 0.00 174.62 171.90 2nef s PRO 72 N -1.47 3.31 -0.38 7.08 0.04 -1.26 -4.95 135.00 137.38 2nef s PRO 72 Ca 0.38 -0.71 0.01 0.00 0.04 0.00 0.00 61.00 60.72 2nef s PRO 72 Cb -0.20 -4.55 0.12 0.00 0.04 0.00 0.00 34.50 29.91 2nef s PRO 72 CO 0.23 -2.07 0.17 -0.65 0.04 0.00 0.00 177.00 174.73 2nef s GLN 73 N 4.97 1.03 0.04 4.56 -1.52 -1.26 -4.99 119.66 122.48 2nef s GLN 73 Ca 0.35 -1.60 0.03 0.00 -1.95 0.00 0.00 55.36 52.19 2nef s GLN 73 Cb -0.07 -2.18 -0.02 0.00 -0.22 0.00 0.00 33.01 30.52 2nef s GLN 73 CO 0.06 -1.09 -0.09 0.14 -0.25 0.00 0.00 175.29 174.06 2nef s VAL 74 N 0.91 0.65 -0.58 1.09 -7.23 -1.26 -5.07 120.40 108.91 2nef s VAL 74 Ca 0.14 -0.96 -0.38 0.00 -1.81 0.00 0.00 61.98 58.97 2nef s VAL 74 Cb -0.21 -0.66 -0.17 0.00 0.56 0.00 0.00 36.38 35.89 2nef s VAL 74 CO -0.10 -0.24 2.29 -2.65 -0.31 0.00 0.00 175.10 174.09 2nef n PRO 75 N 1.73 0.29 -1.55 4.82 -0.02 -1.26 -4.73 135.00 134.27 2nef n PRO 75 Ca -0.21 0.06 -0.30 0.00 -2.02 0.00 0.00 63.50 61.04 2nef n PRO 75 Cb 0.55 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 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 9.07 2.11 -4.86 2.45 4.77 -1.26 -4.92 117.00 124.37 2nef n LEU 76 Ca 0.54 -0.78 -0.32 0.00 -0.03 0.00 0.00 56.01 55.42 2nef n LEU 76 Cb 0.06 -1.59 -0.05 0.00 -2.33 0.00 0.00 43.42 39.52 2nef n LEU 76 CO 0.86 -1.86 0.49 -0.13 -1.33 0.00 0.00 177.39 175.42 2nef s ARG 77 N 8.48 3.92 -0.18 3.23 0.52 -1.26 -5.01 118.95 128.65 2nef s ARG 77 Ca 0.98 0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 56.56 2nef s ARG 77 Cb -0.19 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 2nef s ARG 77 CO 0.22 -0.01 1.30 -1.25 0.02 0.00 0.00 175.30 175.57 2nef s PRO 78 N -3.54 4.18 -0.04 3.54 0.04 -1.26 -4.75 135.00 133.16 2nef s PRO 78 Ca 0.54 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 2nef s PRO 78 Cb -0.10 -3.80 -0.06 0.00 0.04 0.00 0.00 34.50 30.58 2nef s PRO 78 CO 0.25 -0.78 1.74 1.41 0.04 0.00 0.00 177.00 179.66 2nef s MET 79 N 3.64 4.13 0.19 4.56 1.75 -1.26 -4.97 119.30 127.33 2nef s MET 79 Ca 0.56 2.27 -0.11 0.00 -1.25 0.00 0.00 55.69 57.16 2nef s MET 79 Cb -0.22 -4.04 -0.07 0.00 2.84 0.00 0.00 34.83 33.34 2nef s MET 79 CO 0.17 -0.92 0.53 0.95 -0.65 0.00 0.00 175.02 175.10 2nef s THR 80 N 4.28 4.93 0.26 10.11 -4.23 -1.26 -4.90 115.64 124.83 2nef s THR 80 Ca 0.78 0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 61.85 2nef s THR 80 Cb -0.35 -3.66 0.24 0.00 1.34 0.00 0.00 72.50 70.07 2nef s THR 80 CO 0.33 0.07 1.76 0.22 -0.54 0.00 0.00 174.62 176.45 2nef h TYR 81 N 2.99 0.75 0.00 3.99 3.20 -1.95 2.51 116.97 128.46 2nef h TYR 81 Ca -0.48 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2nef h TYR 81 Cb 1.18 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 2nef h TYR 81 CO 0.63 0.17 -0.10 -0.22 -1.64 0.00 0.00 178.16 177.00 2nef h LYS 82 N 0.61 0.00 -0.81 1.82 3.64 -1.95 -1.41 116.57 118.46 2nef h LYS 82 Ca 0.46 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.81 2nef h LYS 82 Cb 0.65 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2nef h LYS 82 CO -0.37 0.10 0.40 0.00 -2.27 0.00 0.00 179.45 177.32 2nef h ALA 83 N 1.90 1.18 0.14 5.00 0.00 0.40 0.33 119.26 128.20 2nef h ALA 83 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2nef h ALA 83 Cb 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2nef h ALA 83 CO 0.01 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.83 2nef h ALA 84 N 1.29 -0.19 -0.36 0.00 0.00 -0.53 0.68 119.26 120.15 2nef h ALA 84 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2nef h ALA 84 Cb 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2nef h ALA 84 CO -0.04 -0.52 0.16 0.28 0.00 0.00 0.00 179.25 179.14 2nef h VAL 85 N -0.37 1.18 -0.19 0.00 2.07 -1.27 0.92 116.25 118.59 2nef h VAL 85 Ca -0.02 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2nef h VAL 85 Cb 0.29 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2nef h VAL 85 CO 0.03 0.19 0.11 0.44 0.02 0.00 0.00 177.57 178.36 2nef h ASP 86 N 0.44 0.23 -0.73 0.57 5.19 -0.25 -2.02 116.42 119.86 2nef h ASP 86 Ca 0.12 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 2nef h ASP 86 Cb 0.16 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 2nef h ASP 86 CO -0.01 0.24 0.39 0.25 -3.12 0.00 0.00 179.24 176.99 2nef h LEU 87 N 0.21 0.93 -0.32 1.55 5.85 0.73 -1.42 115.31 122.83 2nef h LEU 87 Ca 0.07 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2nef h LEU 87 Cb 0.06 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 2nef h LEU 87 CO -0.01 0.76 -0.13 0.77 -0.34 0.00 0.00 178.44 179.49 2nef h SER 88 N 1.04 -0.44 0.79 1.25 4.64 0.16 -0.98 113.55 120.00 2nef h SER 88 Ca 0.26 0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.58 2nef h SER 88 Cb 0.05 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2nef h SER 88 CO -0.04 -0.16 -0.55 0.45 -0.87 0.00 0.00 176.83 175.66 2nef h HIS 89 N -0.07 0.00 0.60 4.77 3.86 -1.15 -2.89 115.15 120.27 2nef h HIS 89 Ca 0.16 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2nef h HIS 89 Cb 0.32 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 2nef h HIS 89 CO -0.34 0.55 -0.35 0.35 0.86 0.00 0.00 177.93 178.99 2nef h PHE 90 N 0.00 -0.93 0.00 2.45 3.04 -0.10 -1.92 116.94 119.48 2nef h PHE 90 Ca -0.01 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2nef h PHE 90 Cb 1.09 0.33 -0.00 0.00 2.56 0.00 0.00 35.95 39.93 2nef h PHE 90 CO 0.00 -0.54 -0.06 -0.07 -2.02 0.00 0.00 178.31 175.62 2nef h LEU 91 N -0.89 0.00 -0.45 0.59 3.38 -1.41 -2.61 115.31 113.92 2nef h LEU 91 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2nef h LEU 91 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2nef h LEU 91 CO 0.08 0.06 0.26 0.50 0.09 0.00 0.00 178.44 179.44 2nef h LYS 92 N 0.00 0.61 0.00 1.13 1.63 -1.13 2.41 116.57 121.22 2nef h LYS 92 Ca -0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2nef h LYS 92 Cb 0.14 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2nef h LYS 92 CO 0.01 0.45 0.00 0.39 -3.45 0.00 0.00 179.45 176.85 2nef n GLU 93 N -4.73 0.00 0.11 1.90 -0.58 -0.99 -3.57 120.64 112.78 2nef n GLU 93 Ca 0.01 0.27 -0.02 0.00 -0.42 0.00 0.00 57.16 57.00 2nef n GLU 93 Cb 0.06 -0.91 0.02 0.00 -0.57 0.00 0.00 31.44 30.04 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2nef h LYS 94 N 0.00 0.00 0.00 3.49 1.57 -1.67 -3.38 116.57 116.58 2nef h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nef h LYS 94 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nef h LYS 94 CO 0.00 0.73 0.00 0.41 -0.57 0.00 0.00 179.45 180.02 2nef n GLY 95 N 1.00 -1.10 1.27 3.86 0.00 0.13 -4.98 105.19 105.37 2nef n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.11 0.75 0.16 -0.02 0.00 0.77 -4.95 105.19 103.01 2nef n GLY 96 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -9.51 0.99 5.85 -1.87 -3.44 115.31 107.33 2nef h LEU 97 Ca 0.00 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.14 2nef h LEU 97 Cb 0.98 0.00 0.16 0.00 0.37 0.00 0.00 40.66 42.17 2nef h LEU 97 CO 0.00 0.35 -0.32 1.21 -0.34 0.00 0.00 178.44 179.34 2nef n GLU 98 N -3.16 0.61 -0.45 1.25 2.13 -1.26 -0.99 120.64 118.76 2nef n GLU 98 Ca 0.02 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2nef n GLU 98 Cb 0.68 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.66 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 1.71 0.00 3.65 8.31 0.00 0.21 -4.88 105.19 114.18 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 4.04 -0.36 0.99 2.96 -0.16 -4.72 118.68 121.43 2nef s LEU 100 Ca 0.00 1.44 -0.27 0.00 -0.22 0.00 0.00 54.13 55.07 2nef s LEU 100 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2nef s LEU 100 CO 0.00 -0.89 2.12 -0.63 -1.32 0.00 0.00 176.35 175.62 2nef s ILE 101 N 3.84 3.17 -0.41 6.68 -1.09 -1.26 -2.23 121.20 129.90 2nef s ILE 101 Ca 0.54 0.15 -0.27 0.00 -2.23 0.00 0.00 60.65 58.84 2nef s ILE 101 Cb -0.19 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 2nef s ILE 101 CO 0.17 -0.22 2.01 -2.28 -1.23 0.00 0.00 174.94 173.39 2nef s HIS 102 N 8.99 1.51 0.00 3.97 5.65 0.94 -4.88 115.29 131.47 2nef s HIS 102 Ca 0.91 0.83 0.00 0.00 0.25 0.00 0.00 55.06 57.04 2nef s HIS 102 Cb -0.24 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.18 2nef s HIS 102 CO 0.31 -2.93 0.00 0.43 -0.65 0.00 0.00 174.74 171.90 2nef n SER 103 N 12.20 0.00 -0.98 9.88 7.64 -1.26 -3.35 113.62 137.75 2nef n SER 103 Ca 0.26 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.15 2nef n SER 103 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2nef n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nef n GLN 104 N 0.00 0.00 0.00 1.43 6.02 -1.26 -4.78 117.38 118.79 2nef n GLN 104 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 2nef n GLN 104 Cb 0.00 -0.15 0.00 0.00 1.02 0.00 0.00 30.24 31.11 2nef n GLN 104 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2nef n ARG 105 N 0.22 0.90 0.25 -1.09 0.63 -1.26 -4.87 116.66 111.43 2nef n ARG 105 Ca 0.00 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.11 2nef n ARG 105 Cb 0.88 -0.12 0.90 0.00 0.45 0.00 0.00 32.46 34.58 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2nef h ARG 106 N 0.00 0.00 -0.34 -0.14 2.47 -1.94 -0.78 114.38 113.65 2nef h ARG 106 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2nef h ARG 106 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2nef h ARG 106 CO 0.00 0.00 0.13 -0.56 0.56 0.00 0.00 179.97 180.10 2nef h GLN 107 N 0.00 0.51 -0.18 0.04 3.07 -1.94 -2.15 115.11 114.46 2nef h GLN 107 Ca 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 2nef h GLN 107 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 2nef h GLN 107 CO -0.00 0.52 0.11 -0.44 0.09 0.00 0.00 178.83 179.11 2nef h ASP 108 N 0.40 0.22 -0.31 0.06 3.32 -1.52 -2.77 116.42 115.82 2nef h ASP 108 Ca 0.11 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.18 2nef h ASP 108 Cb 0.20 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 2nef h ASP 108 CO -0.01 0.21 -0.19 0.40 -1.72 0.00 0.00 179.24 177.93 2nef h ILE 109 N 0.22 0.46 0.00 0.35 2.04 -1.35 0.32 117.51 119.55 2nef h ILE 109 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2nef h ILE 109 Cb 0.03 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2nef h ILE 109 CO -0.01 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 178.03 2nef n LEU 110 N -5.36 0.00 -0.31 1.44 7.94 -0.83 0.21 117.00 120.10 2nef n LEU 110 Ca 0.01 0.88 0.12 0.00 -1.11 0.00 0.00 56.01 55.91 2nef n LEU 110 Cb 0.27 -0.38 0.30 0.00 0.53 0.00 0.00 43.42 44.13 2nef n LEU 110 CO 0.14 -0.38 1.09 0.44 -1.11 0.00 0.00 177.39 177.58 2nef h ASP 111 N 0.00 0.48 0.59 1.96 3.32 -1.34 -0.18 116.42 121.26 2nef h ASP 111 Ca 0.00 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2nef h ASP 111 Cb 0.00 0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.62 2nef h ASP 111 CO 0.00 0.11 -0.28 0.25 -1.72 0.00 0.00 179.24 177.59 2nef h LEU 112 N 0.53 -0.67 -0.82 1.55 6.46 0.51 -1.42 115.31 121.46 2nef h LEU 112 Ca 0.55 -0.03 0.19 0.00 -0.12 0.00 0.00 57.88 58.46 2nef h LEU 112 Cb 0.95 0.17 -0.12 0.00 -0.73 0.00 0.00 40.66 40.94 2nef h LEU 112 CO -0.46 -0.31 0.29 -0.25 -0.62 0.00 0.00 178.44 177.09 2nef h TRP 113 N -1.06 0.48 -0.59 1.25 7.01 0.32 0.82 115.95 124.18 2nef h TRP 113 Ca -0.08 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2nef h TRP 113 Cb 0.66 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 2nef h TRP 113 CO 0.00 -0.06 0.37 0.82 -2.79 0.00 0.00 178.44 176.79 2nef h ILE 114 N 0.35 1.16 0.66 2.65 2.04 -0.91 -1.67 117.51 121.79 2nef h ILE 114 Ca 0.49 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 2nef h ILE 114 Cb 0.88 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2nef h ILE 114 CO -0.52 0.16 -0.32 0.22 0.00 0.00 0.00 178.15 177.69 2nef h TYR 115 N 0.80 -0.83 -0.00 1.37 3.20 0.18 0.81 116.97 122.50 2nef h TYR 115 Ca 0.21 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2nef h TYR 115 Cb -0.06 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 2nef h TYR 115 CO 0.00 -0.51 0.01 0.45 -1.64 0.00 0.00 178.16 176.46 2nef h HIS 116 N -1.14 0.00 0.00 -3.82 3.86 -1.28 -2.56 115.15 110.21 2nef h HIS 116 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2nef h HIS 116 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2nef h HIS 116 CO 0.02 0.00 -0.28 0.25 0.86 0.00 0.00 177.93 178.78 2nef n THR 117 N -3.60 0.48 0.00 2.45 -2.24 -0.64 -4.85 114.28 105.88 2nef n THR 117 Ca -0.03 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2nef n THR 117 Cb 0.09 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 2nef n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nef n GLN 118 N -3.10 0.00 0.00 -0.78 6.02 0.26 -5.00 117.38 114.78 2nef n GLN 118 Ca -0.04 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 2nef n GLN 118 Cb 0.14 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nef n GLY 119 N 1.80 1.39 3.73 1.08 0.00 -0.02 -4.90 105.19 108.27 2nef n GLY 119 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.52 0.61 1.61 2.02 -1.26 -4.61 117.35 117.25 2nef s TYR 120 Ca 0.00 1.49 -0.17 0.00 -0.37 0.00 0.00 57.07 58.01 2nef s TYR 120 Cb 0.00 -3.33 -0.03 0.00 -0.40 0.00 0.00 41.96 38.20 2nef s TYR 120 CO 0.00 -0.87 1.14 -0.59 -1.57 0.00 0.00 175.55 173.66 2nef s PHE 121 N 0.27 2.56 -0.04 2.71 -0.12 -1.26 -4.71 117.98 117.39 2nef s PHE 121 Ca 0.53 1.55 -0.01 0.00 -0.05 0.00 0.00 56.93 58.95 2nef s PHE 121 Cb -0.29 -3.28 -0.02 0.00 -0.63 0.00 0.00 43.02 38.79 2nef s PHE 121 CO 0.33 -1.78 2.28 -0.35 -0.05 0.00 0.00 175.22 175.64 2nef n PRO 122 N -1.88 1.27 -0.03 1.99 -0.04 -1.26 -4.30 135.00 130.75 2nef n PRO 122 Ca 0.12 -0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.32 2nef n PRO 122 Cb 0.51 -1.25 0.51 0.00 -0.04 0.00 0.00 33.50 33.23 2nef n PRO 122 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2nef n ASP 123 N 1.53 0.94 -0.05 3.54 5.75 -1.26 -3.67 116.55 123.33 2nef n ASP 123 Ca 0.11 -1.52 -0.04 0.00 -0.01 0.00 0.00 54.79 53.33 2nef n ASP 123 Cb 0.58 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 40.53 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 -0.19 0.00 -2.37 2.11 4.27 -1.26 -4.91 117.44 115.09 2nef n TRP 124 Ca 0.17 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.35 2nef n TRP 124 Cb 0.23 -0.54 -0.02 0.00 -1.36 0.00 0.00 31.31 29.61 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 -2.36 3.54 -0.48 -2.67 1.03 -1.24 -4.59 119.66 112.89 2nef s GLN 125 Ca -0.06 0.83 0.06 0.00 0.04 0.00 0.00 55.36 56.24 2nef s GLN 125 Cb 0.04 -4.03 0.23 0.00 0.03 0.00 0.00 33.01 29.27 2nef s GLN 125 CO 0.49 -1.61 0.78 0.09 -2.54 0.00 0.00 175.29 172.49 2nef n ASN 126 N 8.88 -2.55 -4.66 12.60 3.02 -1.26 -5.07 115.26 126.22 2nef n ASN 126 Ca 0.16 -3.09 -0.28 0.00 -0.03 0.00 0.00 54.58 51.33 2nef n ASN 126 Cb 0.48 1.40 0.19 0.00 -0.61 0.00 0.00 39.78 41.24 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 0.48 2.02 1.16 3.10 2.02 -1.26 -3.17 117.35 121.70 2nef s TYR 127 Ca 0.32 0.97 -0.13 0.00 -0.37 0.00 0.00 57.07 57.86 2nef s TYR 127 Cb 0.16 -3.27 0.28 0.00 -0.40 0.00 0.00 41.96 38.73 2nef s TYR 127 CO -0.18 -3.02 1.03 0.95 -1.57 0.00 0.00 175.55 172.76 2nef s THR 128 N -2.94 2.01 0.00 -0.71 -4.23 -1.02 -4.81 115.64 103.95 2nef s THR 128 Ca 0.66 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2nef s THR 128 Cb -0.19 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2nef s THR 128 CO 0.58 -0.01 0.00 -2.65 -0.54 0.00 0.00 174.62 172.01 2nef n PRO 129 N -4.89 0.00 0.00 3.99 -0.02 -1.26 -4.93 135.00 127.89 2nef n PRO 129 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2nef n PRO 129 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 130 N 0.00 0.21 2.50 -1.23 0.00 -1.26 -5.10 105.19 100.31 2nef n GLY 130 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2nef n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nef n PRO 131 N -0.39 0.00 -0.39 1.61 -0.02 -1.26 -4.66 135.00 129.88 2nef n PRO 131 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2nef n PRO 131 Cb 0.00 -0.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.69 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nef n GLY 132 N 2.00 -2.03 0.29 -1.23 0.00 -1.26 -4.87 105.19 98.10 2nef n GLY 132 Ca 0.06 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 2nef n GLY 132 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nef n ILE 133 N -1.81 0.00 -3.15 -0.61 -0.00 -1.26 -4.93 119.36 107.60 2nef n ILE 133 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.80 2nef n ILE 133 Cb 0.18 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.64 39.75 2nef n ILE 133 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2nef s ARG 134 N -2.31 0.46 0.18 0.38 6.06 -1.11 -4.87 118.95 117.74 2nef s ARG 134 Ca 0.05 0.64 -0.07 0.00 -2.50 0.00 0.00 55.73 53.85 2nef s ARG 134 Cb -0.01 0.33 -0.06 0.00 0.06 0.00 0.00 34.95 35.27 2nef s ARG 134 CO 0.04 -0.68 0.45 0.71 -2.50 0.00 0.00 175.30 173.32 2nef s TYR 135 N 2.87 3.45 -0.19 5.12 1.51 -1.26 -2.23 117.35 126.63 2nef s TYR 135 Ca 0.15 0.68 -0.29 0.00 -1.01 0.00 0.00 57.07 56.60 2nef s TYR 135 Cb -0.11 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 2nef s TYR 135 CO -0.22 0.36 1.19 -1.25 -1.11 0.00 0.00 175.55 174.51 2nef s PRO 136 N -2.77 4.24 0.31 -1.71 0.04 -1.26 -2.42 135.00 131.42 2nef s PRO 136 Ca 0.44 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 2nef s PRO 136 Cb -0.12 -3.72 0.47 0.00 0.04 0.00 0.00 34.50 31.18 2nef s PRO 136 CO 0.24 -0.68 1.95 -0.07 0.04 0.00 0.00 177.00 178.48 2nef h LEU 137 N 9.62 0.87-10.19 -3.56 3.38 -1.86 -3.42 115.31 110.15 2nef h LEU 137 Ca -0.24 -0.05 -0.51 0.00 0.09 0.00 0.00 57.88 57.17 2nef h LEU 137 Cb 1.09 -0.22 0.10 0.00 0.09 0.00 0.00 40.66 41.72 2nef h LEU 137 CO 0.97 0.67 0.38 0.42 0.09 0.00 0.00 178.44 180.97 2nef s THR 138 N -5.75 3.19 0.09 0.22 -4.23 -1.26 -4.95 115.64 102.94 2nef s THR 138 Ca -0.11 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 2nef s THR 138 Cb 0.17 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2nef s THR 138 CO 0.79 -0.33 0.23 0.12 -0.54 0.00 0.00 174.62 174.89 2nef s PHE 139 N -2.29 3.50 0.00 3.99 5.36 -1.26 -4.39 117.98 122.89 2nef s PHE 139 Ca 0.68 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 2nef s PHE 139 Cb -0.21 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 40.74 2nef s PHE 139 CO 0.41 0.57 0.00 0.41 -1.46 0.00 0.00 175.22 175.14 2nef n GLY 140 N 0.03 2.81 3.55 13.12 0.00 -1.26 -4.91 105.19 118.53 2nef n GLY 140 Ca -0.06 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.38 2.07 -0.07 1.61 -0.00 -1.26 -3.98 118.94 115.92 2nef s TRP 141 Ca 0.00 0.17 -0.04 0.00 -0.00 0.00 0.00 56.10 56.24 2nef s TRP 141 Cb 0.00 -4.41 -0.12 0.00 -0.00 0.00 0.00 33.47 28.94 2nef s TRP 141 CO 0.00 -2.10 2.93 0.00 -0.00 0.00 0.00 176.95 177.79 2nef s TYR 143 N 0.22 2.44 -0.03 0.00 2.02 -1.26 -2.08 117.35 118.66 2nef s TYR 143 Ca 0.43 -1.57 0.03 0.00 -0.37 0.00 0.00 57.07 55.59 2nef s TYR 143 Cb 0.22 -1.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 2nef s TYR 143 CO -0.02 -0.74 -0.11 -1.59 -1.57 0.00 0.00 175.55 171.51 2nef s LYS 144 N 1.39 1.23 0.42 -0.62 -2.85 -1.18 -4.36 119.74 113.76 2nef s LYS 144 Ca -0.00 -0.39 -0.22 0.00 -1.00 0.00 0.00 55.97 54.35 2nef s LYS 144 Cb -0.16 -1.11 -0.10 0.00 -2.06 0.00 0.00 37.83 34.41 2nef s LYS 144 CO -0.09 0.14 0.98 -0.51 0.10 0.00 0.00 175.35 175.98 2nef s LEU 145 N 0.18 4.03 -0.24 2.77 1.43 -0.95 -0.16 118.68 125.75 2nef s LEU 145 Ca -0.04 1.82 -0.19 0.00 -1.03 0.00 0.00 54.13 54.70 2nef s LEU 145 Cb -0.10 -4.39 0.07 0.00 0.03 0.00 0.00 46.19 41.80 2nef s LEU 145 CO 0.01 -0.41 0.61 -0.69 0.23 0.00 0.00 176.35 176.10 2nef s VAL 146 N -1.95 -0.00 0.28 -1.59 1.01 -0.86 -2.77 120.40 114.52 2nef s VAL 146 Ca 0.60 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 2nef s VAL 146 Cb -0.14 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 2nef s VAL 146 CO 0.19 0.00 0.93 -2.16 0.00 0.00 0.00 175.10 174.06 2nef s PRO 147 N 0.79 4.70 0.76 2.72 0.04 -1.26 -2.95 135.00 139.80 2nef s PRO 147 Ca -0.04 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.33 2nef s PRO 147 Cb -0.05 -3.04 0.12 0.00 0.04 0.00 0.00 34.50 31.57 2nef s PRO 147 CO -0.06 0.40 1.06 0.08 0.04 0.00 0.00 177.00 178.52 2nef s VAL 148 N -1.40 2.18 0.35 -0.36 1.01 -1.26 -5.03 120.40 115.89 2nef s VAL 148 Ca 0.45 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 2nef s VAL 148 Cb -0.22 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 2nef s VAL 148 CO 0.28 0.00 1.22 -1.61 0.00 0.00 0.00 175.10 174.98 2nef s GLU 149 N -5.31 4.29 -1.51 2.72 2.02 -1.26 -4.91 118.70 114.74 2nef s GLU 149 Ca 0.66 2.00 -0.12 0.00 0.02 0.00 0.00 54.97 57.53 2nef s GLU 149 Cb -0.07 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 2nef s GLU 149 CO 0.46 -0.17 2.52 -0.35 0.02 0.00 0.00 175.26 177.74 2nef n PRO 150 N 0.60 3.16 -1.64 0.39 -0.04 -1.26 -4.90 135.00 131.31 2nef n PRO 150 Ca 0.01 -2.41 -0.15 0.00 -0.04 0.00 0.00 63.50 60.91 2nef n PRO 150 Cb 0.44 -3.08 -0.09 0.00 -0.04 0.00 0.00 33.50 30.73 2nef n PRO 150 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2nef s GLU 151 N 2.82 1.48 -0.16 0.54 2.56 -1.26 -4.72 118.70 119.97 2nef s GLU 151 Ca 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 54.97 55.45 2nef s GLU 151 Cb 0.16 -4.92 0.11 0.00 2.00 0.00 0.00 34.13 31.48 2nef s GLU 151 CO -0.07 -4.89 1.93 1.63 -0.56 0.00 0.00 175.26 173.30 2nef n LYS 152 N 8.49 1.40 -0.00 4.30 5.02 -1.26 -4.26 118.16 131.84 2nef n LYS 152 Ca 0.44 -0.78 0.12 0.00 -2.02 0.00 0.00 58.31 56.06 2nef n LYS 152 Cb 0.45 -1.31 0.69 0.00 -0.02 0.00 0.00 35.03 34.85 2nef n LYS 152 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2nef n LEU 153 N 0.84 0.14 -4.66 -0.35 0.00 -1.26 -4.76 117.00 106.95 2nef n LEU 153 Ca 0.15 -0.05 -0.43 0.00 0.00 0.00 0.00 56.01 55.68 2nef n LEU 153 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 43.42 43.96 2nef n LEU 153 CO 0.19 0.03 0.98 -1.61 0.00 0.00 0.00 177.39 176.98 2nef s GLU 154 N -1.99 4.23 -0.70 1.96 0.41 -1.26 -4.96 118.70 116.39 2nef s GLU 154 Ca 0.36 1.44 -0.27 0.00 -0.41 0.00 0.00 54.97 56.09 2nef s GLU 154 Cb 0.17 -3.69 0.02 0.00 -1.78 0.00 0.00 34.13 28.84 2nef s GLU 154 CO 0.28 -0.69 1.41 -1.83 -0.49 0.00 0.00 175.26 173.94 2nef s GLU 155 N 3.36 3.08 -0.15 1.61 -1.05 -1.26 -4.95 118.70 119.34 2nef s GLU 155 Ca 0.48 0.00 -0.14 0.00 -0.15 0.00 0.00 54.97 55.16 2nef s GLU 155 Cb -0.17 -4.22 0.04 0.00 -0.44 0.00 0.00 34.13 29.34 2nef s GLU 155 CO 0.10 -2.25 0.41 0.00 0.95 0.00 0.00 175.26 174.47 2nef s ALA 156 N 6.46 -1.01 1.00 -0.84 0.00 -1.26 -5.17 121.76 120.95 2nef s ALA 156 Ca 0.43 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2nef s ALA 156 Cb -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2nef s ALA 156 CO 0.17 -0.19 0.00 0.09 0.00 0.00 0.00 175.76 175.83 2nef n ASN 157 N 2.89 -0.14 -3.61 0.00 5.03 -1.26 -4.78 115.26 113.39 2nef n ASN 157 Ca -0.13 -0.15 -0.41 0.00 0.87 0.00 0.00 54.58 54.76 2nef n ASN 157 Cb 0.57 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.30 2nef n ASN 157 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2nef n LYS 158 N -0.29 2.20 -0.96 3.52 5.02 -1.26 -4.03 118.16 122.37 2nef n LYS 158 Ca 0.00 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.16 2nef n LYS 158 Cb 0.00 -3.02 -0.01 0.00 -0.02 0.00 0.00 35.03 31.99 2nef n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2nef n ASP 174 N 6.44 0.18 -2.88 4.39 -0.08 -1.26 -4.96 116.55 118.38 2nef n ASP 174 Ca 0.52 -1.85 -0.12 0.00 -1.51 0.00 0.00 54.79 51.83 2nef n ASP 174 Cb 0.37 -0.11 0.01 0.00 2.34 0.00 0.00 41.12 43.73 2nef n ASP 174 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2nef n ASP 175 N 0.18 -2.26 -4.31 1.67 2.03 -1.26 -5.14 116.55 107.47 2nef n ASP 175 Ca -0.03 -3.06 -0.36 0.00 0.52 0.00 0.00 54.79 51.86 2nef n ASP 175 Cb 0.84 1.19 0.06 0.00 -0.72 0.00 0.00 41.12 42.49 2nef n ASP 175 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2nef n PRO 176 N 1.90 0.07 -1.71 -0.67 -0.02 -1.26 -4.76 135.00 128.55 2nef n PRO 176 Ca 0.14 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 2nef n PRO 176 Cb 0.59 -1.49 -0.01 0.00 -0.02 0.00 0.00 33.50 32.56 2nef n PRO 176 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nef n GLU 177 N 0.25 2.57 0.00 -0.52 -0.58 -1.26 -4.69 120.64 116.42 2nef n GLU 177 Ca 0.06 -2.51 0.00 0.00 -0.42 0.00 0.00 57.16 54.29 2nef n GLU 177 Cb 0.52 -3.25 0.00 0.00 -0.57 0.00 0.00 31.44 28.14 2nef n GLU 177 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2nef n ARG 178 N 6.61 0.92 -2.51 3.49 1.85 -1.26 -4.77 116.66 120.98 2nef n ARG 178 Ca 0.51 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.94 2nef n ARG 178 Cb 0.40 -1.20 -0.02 0.00 -1.05 0.00 0.00 32.46 30.59 2nef n ARG 178 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2nef s GLU 179 N -0.34 3.50 0.00 2.89 2.02 -1.26 -4.98 118.70 120.53 2nef s GLU 179 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.41 2nef s GLU 179 Cb 0.00 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.20 2nef s GLU 179 CO 0.00 -1.69 0.00 0.28 0.02 0.00 0.00 175.26 173.87 2nef n VAL 180 N 6.79 0.00 -4.34 2.63 0.31 -1.26 -5.06 118.33 117.40 2nef n VAL 180 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.18 2nef n VAL 180 Cb 0.49 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.32 2nef n VAL 180 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nef s LEU 181 N 0.00 2.86 0.16 7.52 1.43 -1.21 -4.74 118.68 124.70 2nef s LEU 181 Ca 0.00 -0.71 0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2nef s LEU 181 Cb 0.00 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 2nef s LEU 181 CO 0.00 0.08 -0.23 -1.83 0.23 0.00 0.00 176.35 174.60 2nef s GLU 182 N -3.04 1.55 -0.23 1.70 -1.05 -1.15 0.32 118.70 116.79 2nef s GLU 182 Ca 0.26 -1.42 -0.29 0.00 -0.15 0.00 0.00 54.97 53.37 2nef s GLU 182 Cb -0.08 -1.91 -0.01 0.00 -0.44 0.00 0.00 34.13 31.69 2nef s GLU 182 CO 0.15 0.43 1.33 -1.58 0.95 0.00 0.00 175.26 176.54 2nef s TRP 183 N -1.43 2.66 -0.62 4.83 0.51 -0.95 -2.03 118.94 121.92 2nef s TRP 183 Ca 0.19 0.86 -0.16 0.00 -2.12 0.00 0.00 56.10 54.87 2nef s TRP 183 Cb -0.09 -3.77 0.14 0.00 -0.81 0.00 0.00 33.47 28.95 2nef s TRP 183 CO 0.09 -1.91 0.61 0.50 -0.51 0.00 0.00 176.95 175.73 2nef s ARG 184 N 3.98 3.14 0.14 4.98 3.00 0.78 0.67 118.95 135.63 2nef s ARG 184 Ca 0.58 -1.79 -0.31 0.00 -1.00 0.00 0.00 55.73 53.22 2nef s ARG 184 Cb -0.20 -4.34 -0.08 0.00 0.00 0.00 0.00 34.95 30.33 2nef s ARG 184 CO 0.21 -1.38 1.33 0.12 0.00 0.00 0.00 175.30 175.58 2nef s PHE 185 N 1.55 3.28 -0.48 5.12 2.19 -1.26 -3.12 117.98 125.26 2nef s PHE 185 Ca 0.08 1.11 0.06 0.00 0.33 0.00 0.00 56.93 58.52 2nef s PHE 185 Cb -0.24 -3.62 0.21 0.00 -1.31 0.00 0.00 43.02 38.06 2nef s PHE 185 CO 0.01 -2.03 0.70 -3.47 1.83 0.00 0.00 175.22 172.26 2nef n ASP 186 N 3.37 -2.42 0.00 6.13 2.03 -0.88 -4.98 116.55 119.80 2nef n ASP 186 Ca 0.09 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.46 2nef n ASP 186 Cb 0.43 1.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.99 2nef n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2nef n SER 187 N 2.31 0.00 -0.18 1.67 3.41 -1.26 -1.28 113.62 118.29 2nef n SER 187 Ca 0.17 0.11 -0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2nef n SER 187 Cb 0.57 -0.11 0.25 0.00 -0.26 0.00 0.00 64.21 64.66 2nef n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2nef h ARG 188 N 0.00 0.91 0.00 4.33 3.08 -1.93 0.17 114.38 120.94 2nef h ARG 188 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2nef h ARG 188 Cb 0.55 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2nef h ARG 188 CO 0.00 0.65 0.00 -0.11 -1.07 0.00 0.00 179.97 179.44 2nef n LEU 189 N -4.39 0.00 0.00 3.04 0.00 -0.40 -0.70 117.00 114.54 2nef n LEU 189 Ca 0.07 0.45 0.13 0.00 0.00 0.00 0.00 56.01 56.66 2nef n LEU 189 Cb 0.08 -0.45 0.71 0.00 0.00 0.00 0.00 43.42 43.76 2nef n LEU 189 CO 0.37 -0.44 0.95 0.00 0.00 0.00 0.00 177.39 178.28 2nef n ALA 190 N -1.45 2.38 -0.75 1.96 0.00 0.60 -3.20 120.51 120.05 2nef n ALA 190 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2nef n ALA 190 Cb 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2nef n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nef n PHE 191 N -1.19 0.00 -3.26 0.00 3.72 0.12 -4.91 117.46 111.94 2nef n PHE 191 Ca 0.15 -0.04 -0.03 0.00 -0.05 0.00 0.00 57.45 57.48 2nef n PHE 191 Cb 0.17 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2nef s HIS 192 N -0.09 -1.20 -0.68 1.38 2.46 -1.13 -5.09 115.29 110.94 2nef s HIS 192 Ca 0.00 1.16 -0.26 0.00 0.47 0.00 0.00 55.06 56.42 2nef s HIS 192 Cb 0.00 0.24 -0.01 0.00 -0.13 0.00 0.00 32.58 32.68 2nef s HIS 192 CO 0.00 -0.82 1.71 -3.38 -2.47 0.00 0.00 174.74 169.78 2nef s HIS 193 N 2.68 1.85 0.03 3.88 -3.43 -1.26 -4.44 115.29 114.60 2nef s HIS 193 Ca 0.16 0.52 -0.20 0.00 -0.80 0.00 0.00 55.06 54.74 2nef s HIS 193 Cb -0.15 -4.24 -0.17 0.00 -1.43 0.00 0.00 32.58 26.59 2nef s HIS 193 CO -0.20 -2.20 1.25 0.52 -2.00 0.00 0.00 174.74 172.11 2nef h MET 194 N 13.33 0.41 -0.97 -0.38 2.86 -1.96 -2.72 114.93 125.51 2nef h MET 194 Ca -0.23 -0.29 0.20 0.00 -2.06 0.00 0.00 59.70 57.32 2nef h MET 194 Cb 1.12 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.74 2nef h MET 194 CO 1.24 0.91 0.61 0.00 1.06 0.00 0.00 176.91 180.73 2nef h ALA 195 N 0.50 1.93 -0.08 6.32 0.00 -1.88 0.81 119.26 126.87 2nef h ALA 195 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2nef h ALA 195 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2nef h ALA 195 CO 0.07 -0.26 -0.14 -0.09 0.00 0.00 0.00 179.25 178.82 2nef h ARG 196 N 0.60 0.24 0.00 0.00 9.65 -1.90 -2.95 114.38 120.02 2nef h ARG 196 Ca 0.53 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 2nef h ARG 196 Cb 1.04 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2nef h ARG 196 CO -0.28 0.73 0.00 1.49 2.80 0.00 0.00 179.97 184.71 2nef h GLU 197 N -0.23 0.00 0.00 0.20 4.81 -0.85 -3.30 114.58 115.21 2nef h GLU 197 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nef h GLU 197 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2nef h GLU 197 CO 0.03 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.59 2nef n LEU 198 N -2.58 1.93 -3.25 1.64 4.77 0.27 -4.89 117.00 114.89 2nef n LEU 198 Ca 0.02 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.02 2nef n LEU 198 Cb 0.30 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2nef n LEU 198 CO 0.25 -0.13 -0.15 -1.00 -1.33 0.00 0.00 177.39 175.03 2nef s HIS 199 N -0.43 -0.14 -0.89 -1.77 3.76 -1.13 -5.09 115.29 109.61 2nef s HIS 199 Ca 0.00 -1.24 -0.22 0.00 -0.15 0.00 0.00 55.06 53.45 2nef s HIS 199 Cb 0.00 -0.42 0.07 0.00 1.11 0.00 0.00 32.58 33.35 2nef s HIS 199 CO 0.00 -0.99 1.26 -1.25 -0.85 0.00 0.00 174.74 172.91 2nef s PRO 200 N 0.90 3.45 -0.18 8.40 0.04 -1.24 -4.77 135.00 141.60 2nef s PRO 200 Ca 0.24 -1.10 -0.11 0.00 0.04 0.00 0.00 61.00 60.07 2nef s PRO 200 Cb -0.07 -4.86 -0.08 0.00 0.04 0.00 0.00 34.50 29.54 2nef s PRO 200 CO -0.08 -2.02 -0.26 -1.91 0.04 0.00 0.00 177.00 172.77 2nef n GLU 201 N 8.15 0.42 -0.07 4.56 4.07 -1.26 -4.46 120.64 132.04 2nef n GLU 201 Ca 0.20 0.18 -0.01 0.00 -0.06 0.00 0.00 57.16 57.46 2nef n GLU 201 Cb 0.49 -1.20 0.01 0.00 -0.06 0.00 0.00 31.44 30.68 2nef n GLU 201 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2nef n TYR 202 N -3.98 0.16 -3.40 4.31 4.01 -1.26 -4.47 117.16 112.54 2nef n TYR 202 Ca -0.32 -0.49 -0.19 0.00 -0.16 0.00 0.00 57.90 56.74 2nef n TYR 202 Cb 0.67 -0.26 -0.09 0.00 -0.31 0.00 0.00 39.34 39.35 2nef n TYR 202 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2nef s PHE 203 N -0.34 -0.22 0.00 -0.72 0.08 -1.26 -5.14 117.98 110.38 2nef s PHE 203 Ca 0.03 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.44 2nef s PHE 203 Cb 0.03 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 2nef s PHE 203 CO 0.01 -0.93 0.00 1.63 -0.10 0.00 0.00 175.22 175.83 2nef n LYS 204 N 4.72 2.07 -1.11 0.44 4.01 -1.26 -4.93 118.16 122.10 2nef n LYS 204 Ca 0.05 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.52 2nef n LYS 204 Cb 0.45 0.00 0.12 0.00 -0.51 0.00 0.00 35.03 35.09 2nef n LYS 204 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2nef s ASN 205 N -1.56 3.72 0.00 4.39 -0.87 -1.26 -5.10 114.94 114.27 2nef s ASN 205 Ca 0.00 2.21 0.31 0.00 -1.57 0.00 0.00 52.86 53.81 2nef s ASN 205 Cb 0.00 -2.57 1.78 0.00 -0.02 0.00 0.00 41.25 40.44 2nef s ASN 205 CO 0.00 -2.57 2.15 0.00 -2.57 0.00 0.00 177.10 174.12