#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 1.42 0.00 -0.00 -1.26 -4.59 117.44 113.01 2nef n TRP 57 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.52 2nef n TRP 57 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.38 2nef n TRP 57 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2nef n LEU 58 N 0.00 0.93 -3.45 5.87 4.32 -1.26 -4.57 117.00 118.84 2nef n LEU 58 Ca 0.00 -0.46 -0.36 0.00 -0.02 0.00 0.00 56.01 55.17 2nef n LEU 58 Cb 0.00 -0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 41.62 2nef n LEU 58 CO 0.00 0.21 2.52 -0.62 -1.22 0.00 0.00 177.39 178.28 2nef n GLU 59 N -0.04 2.32 0.00 3.23 -0.58 -1.26 -4.57 120.64 119.73 2nef n GLU 59 Ca 0.05 -1.93 0.05 0.00 -0.42 0.00 0.00 57.16 54.91 2nef n GLU 59 Cb 0.16 -2.82 0.30 0.00 -0.57 0.00 0.00 31.44 28.50 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef n ALA 60 N 5.53 2.18 -0.44 0.62 0.00 -1.26 -3.86 120.51 123.27 2nef n ALA 60 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2nef n ALA 60 Cb 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2nef n ALA 60 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2nef n GLN 61 N -0.75 0.00 -2.77 0.00 7.27 -1.26 -4.38 117.38 115.49 2nef n GLN 61 Ca 0.08 0.28 -0.43 0.00 0.07 0.00 0.00 57.00 56.99 2nef n GLN 61 Cb 0.03 -0.95 -0.02 0.00 2.41 0.00 0.00 30.24 31.72 2nef n GLN 61 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2nef s GLU 62 N -1.10 3.77 0.65 3.69 2.12 -1.25 -5.00 118.70 121.59 2nef s GLU 62 Ca 0.00 -1.81 -0.11 0.00 0.36 0.00 0.00 54.97 53.41 2nef s GLU 62 Cb 0.00 -5.18 -0.02 0.00 0.26 0.00 0.00 34.13 29.18 2nef s GLU 62 CO 0.00 -1.98 1.04 -1.83 -0.54 0.00 0.00 175.26 171.95 2nef s GLU 63 N 3.36 3.35 0.00 4.30 -1.05 -1.26 -5.05 118.70 122.35 2nef s GLU 63 Ca 0.42 0.83 0.00 0.00 -0.15 0.00 0.00 54.97 56.08 2nef s GLU 63 Cb -0.01 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 2nef s GLU 63 CO -0.04 -0.77 0.00 -0.85 0.95 0.00 0.00 175.26 174.55 2nef n GLU 64 N -2.88 0.00 -1.68 -4.83 0.00 -1.26 -5.11 120.64 104.88 2nef n GLU 64 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 57.16 56.77 2nef n GLU 64 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.94 2nef n GLU 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2nef n GLU 65 N 0.00 2.40 -0.78 3.44 2.13 -1.26 -4.81 120.64 121.76 2nef n GLU 65 Ca 0.00 0.87 -0.07 0.00 0.66 0.00 0.00 57.16 58.62 2nef n GLU 65 Cb 0.00 -2.72 -0.07 0.00 0.27 0.00 0.00 31.44 28.92 2nef n GLU 65 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2nef n VAL 66 N 4.59 2.52 0.00 6.31 0.31 -1.26 -4.89 118.33 125.91 2nef n VAL 66 Ca 0.20 -1.11 0.00 0.00 -0.01 0.00 0.00 64.34 63.42 2nef n VAL 66 Cb 0.32 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 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 1.78 1.17 3.87 2.92 0.00 -1.26 -4.72 105.19 108.96 2nef n GLY 67 Ca 0.22 0.33 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 2nef n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nef s PHE 68 N 0.00 3.46 -0.33 1.61 0.08 -1.26 -4.99 117.98 116.55 2nef s PHE 68 Ca 0.00 1.06 -0.28 0.00 0.12 0.00 0.00 56.93 57.83 2nef s PHE 68 Cb 0.00 -2.45 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2nef s PHE 68 CO 0.00 -0.08 1.79 -1.25 -0.10 0.00 0.00 175.22 175.58 2nef s PRO 69 N -3.73 3.34 -0.11 0.24 0.04 -1.26 -4.97 135.00 128.55 2nef s PRO 69 Ca 0.51 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 2nef s PRO 69 Cb -0.10 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 2nef s PRO 69 CO 0.29 -1.85 0.97 0.14 0.04 0.00 0.00 177.00 176.59 2nef s VAL 70 N 6.85 4.81 0.32 -0.36 -7.23 -1.26 -5.03 120.40 118.50 2nef s VAL 70 Ca 0.79 1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 62.81 2nef s VAL 70 Cb -0.22 -4.28 -0.07 0.00 0.56 0.00 0.00 36.38 32.36 2nef s VAL 70 CO 0.33 0.03 0.68 0.28 -0.31 0.00 0.00 175.10 176.11 2nef s THR 71 N 1.93 4.80 0.00 5.32 -1.32 -1.26 -4.98 115.64 120.14 2nef s THR 71 Ca 0.47 0.65 0.00 0.00 -1.21 0.00 0.00 61.69 61.60 2nef s THR 71 Cb -0.18 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.15 2nef s THR 71 CO 0.18 -0.26 0.00 -0.81 -2.21 0.00 0.00 174.62 171.51 2nef n PRO 72 N -0.63 0.98 -1.55 7.08 -0.04 -1.26 -3.78 135.00 135.80 2nef n PRO 72 Ca 0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.18 2nef n PRO 72 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.02 0.85 -3.00 0.54 1.13 -1.26 -4.49 117.38 111.13 2nef n GLN 73 Ca 0.00 -0.22 -0.27 0.00 -1.94 0.00 0.00 57.00 54.57 2nef n GLN 73 Cb 0.00 -3.37 -0.02 0.00 0.11 0.00 0.00 30.24 26.96 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2nef s VAL 74 N 12.54 4.96 -0.05 5.09 -7.23 -1.26 -4.96 120.40 129.50 2nef s VAL 74 Ca 0.99 0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.95 2nef s VAL 74 Cb -0.23 -3.81 -0.15 0.00 0.56 0.00 0.00 36.38 32.75 2nef s VAL 74 CO 0.23 -0.61 0.84 -2.65 -0.31 0.00 0.00 175.10 172.60 2nef n PRO 75 N -1.70 0.00 -1.72 4.82 -0.02 -1.26 -4.66 135.00 130.46 2nef n PRO 75 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.14 2nef n PRO 75 Cb 0.55 -1.11 -0.04 0.00 -0.02 0.00 0.00 33.50 32.88 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 0.28 3.29 0.42 2.45 1.43 -1.26 -4.94 118.68 120.34 2nef s LEU 76 Ca 0.69 0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 54.26 2nef s LEU 76 Cb -0.96 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 2nef s LEU 76 CO 0.44 -2.88 0.85 0.00 0.23 0.00 0.00 176.35 174.99 2nef s ARG 77 N 7.95 3.96 0.15 1.70 1.70 -1.26 -4.97 118.95 128.17 2nef s ARG 77 Ca 0.87 0.76 -0.32 0.00 -0.47 0.00 0.00 55.73 56.57 2nef s ARG 77 Cb -0.15 -2.30 -0.17 0.00 -0.57 0.00 0.00 34.95 31.76 2nef s ARG 77 CO 0.20 -0.05 0.79 -2.30 -1.08 0.00 0.00 175.30 172.86 2nef n PRO 78 N -1.01 0.24 -1.78 3.89 -0.02 -1.26 -4.78 135.00 130.27 2nef n PRO 78 Ca 0.05 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2nef n PRO 78 Cb 0.54 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 2nef n PRO 78 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2nef s MET 79 N -0.68 4.15 -0.85 -0.52 -2.45 -1.26 -4.91 119.30 112.78 2nef s MET 79 Ca 0.72 2.53 -0.20 0.00 -1.25 0.00 0.00 55.69 57.50 2nef s MET 79 Cb -1.00 -3.25 0.11 0.00 1.25 0.00 0.00 34.83 31.95 2nef s MET 79 CO 0.56 -0.74 1.08 0.95 1.05 0.00 0.00 175.02 177.92 2nef s THR 80 N 1.63 4.60 0.28 10.11 -4.23 -1.26 -4.85 115.64 121.92 2nef s THR 80 Ca 0.75 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 2nef s THR 80 Cb -0.47 -4.76 0.26 0.00 1.34 0.00 0.00 72.50 68.88 2nef s THR 80 CO 0.33 -1.50 1.75 0.22 -0.54 0.00 0.00 174.62 174.89 2nef h TYR 81 N 9.06 0.81 -0.82 3.99 3.20 -1.93 1.31 116.97 132.60 2nef h TYR 81 Ca 0.03 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.03 2nef h TYR 81 Cb 1.04 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 2nef h TYR 81 CO 1.11 0.16 0.53 -0.22 -1.64 0.00 0.00 178.16 178.10 2nef h LYS 82 N 0.62 0.76 -0.04 1.82 3.64 -1.94 0.19 116.57 121.62 2nef h LYS 82 Ca 0.50 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 2nef h LYS 82 Cb 0.77 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2nef h LYS 82 CO -0.39 0.51 -0.26 0.00 -2.27 0.00 0.00 179.45 177.03 2nef h ALA 83 N 1.58 1.49 -0.15 5.00 0.00 0.13 -2.11 119.26 125.21 2nef h ALA 83 Ca 0.37 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2nef h ALA 83 Cb 0.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2nef h ALA 83 CO -0.14 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.45 2nef h ALA 84 N 1.67 0.10 -0.07 0.00 0.00 0.12 2.10 119.26 123.18 2nef h ALA 84 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2nef h ALA 84 Cb 0.50 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2nef h ALA 84 CO 0.04 -0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.09 2nef h VAL 85 N 0.01 1.24 -0.52 0.00 2.07 -1.40 0.39 116.25 118.03 2nef h VAL 85 Ca 0.07 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2nef h VAL 85 Cb 0.10 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2nef h VAL 85 CO -0.15 0.20 0.33 0.44 0.02 0.00 0.00 177.57 178.41 2nef h ASP 86 N -0.15 0.61 -0.75 0.57 3.32 -1.03 -1.95 116.42 117.04 2nef h ASP 86 Ca 0.02 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2nef h ASP 86 Cb 0.32 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2nef h ASP 86 CO 0.00 0.47 0.43 0.25 -1.72 0.00 0.00 179.24 178.67 2nef h LEU 87 N 0.70 0.93 -0.36 1.55 5.85 0.36 0.11 115.31 124.44 2nef h LEU 87 Ca 0.19 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2nef h LEU 87 Cb -0.04 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.67 2nef h LEU 87 CO -0.04 0.75 -0.21 0.77 -0.34 0.00 0.00 178.44 179.37 2nef h SER 88 N 1.04 -0.71 0.41 1.25 4.64 0.55 -1.29 113.55 119.44 2nef h SER 88 Ca 0.27 0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 61.57 2nef h SER 88 Cb 0.01 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2nef h SER 88 CO -0.05 -0.24 -0.71 0.45 -0.87 0.00 0.00 176.83 175.41 2nef h HIS 89 N -0.16 0.35 0.02 4.77 3.86 -1.17 -2.96 115.15 119.86 2nef h HIS 89 Ca 0.18 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 2nef h HIS 89 Cb 0.44 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2nef h HIS 89 CO -0.43 0.88 -0.22 0.35 0.86 0.00 0.00 177.93 179.37 2nef h PHE 90 N 0.18 -0.59 -0.63 2.45 3.57 0.30 -1.22 116.94 120.99 2nef h PHE 90 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2nef h PHE 90 Cb 1.27 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 40.23 2nef h PHE 90 CO 0.03 -0.31 0.34 -0.07 -2.23 0.00 0.00 178.31 176.07 2nef h LEU 91 N -0.36 0.78 -0.95 0.59 3.38 -1.36 -1.31 115.31 116.08 2nef h LEU 91 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nef h LEU 91 Cb 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nef h LEU 91 CO -0.19 0.63 0.00 2.29 0.09 0.00 0.00 178.44 181.26 2nef n LYS 92 N -4.38 0.18 0.00 1.13 2.85 -0.55 -0.26 118.16 117.14 2nef n LYS 92 Ca 0.06 0.50 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 2nef n LYS 92 Cb 0.10 -1.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.58 2nef n LYS 92 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2nef n GLU 93 N -2.25 0.00 0.05 -1.58 1.02 -0.49 -4.28 120.64 113.10 2nef n GLU 93 Ca 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 2nef n GLU 93 Cb 0.17 -0.47 -0.11 0.00 -0.02 0.00 0.00 31.44 31.01 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 0.00 0.00 3.49 2.10 -1.68 -3.42 116.57 117.06 2nef h LYS 94 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nef h LYS 94 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2nef h LYS 94 CO 0.00 0.76 0.00 0.41 -2.00 0.00 0.00 179.45 178.62 2nef n GLY 95 N 1.39 -0.03 0.00 0.07 0.00 0.33 -4.90 105.19 102.05 2nef n GLY 95 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.89 0.74 0.14 -0.02 0.00 0.65 -4.93 105.19 103.66 2nef n GLY 96 Ca 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -9.56 0.99 5.85 -1.92 -3.44 115.31 107.23 2nef h LEU 97 Ca 0.00 -0.04 -0.58 0.00 0.84 0.00 0.00 57.88 58.10 2nef h LEU 97 Cb 0.00 0.00 0.16 0.00 0.37 0.00 0.00 40.66 41.19 2nef h LEU 97 CO 0.00 0.02 -0.20 1.21 -0.34 0.00 0.00 178.44 179.13 2nef n GLU 98 N -2.63 0.74 -0.50 1.25 2.13 -1.26 -0.74 120.64 119.62 2nef n GLU 98 Ca 0.04 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2nef n GLU 98 Cb 0.49 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 0.00 3.58 8.31 0.00 0.10 -4.85 105.19 113.92 2nef n GLY 99 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 3.44 -0.51 0.99 1.98 0.08 -4.74 118.68 119.92 2nef s LEU 100 Ca 0.00 0.34 -0.29 0.00 -2.89 0.00 0.00 54.13 51.30 2nef s LEU 100 Cb 0.00 -3.14 -0.10 0.00 0.66 0.00 0.00 46.19 43.61 2nef s LEU 100 CO 0.00 -1.64 2.40 -0.38 -1.89 0.00 0.00 176.35 174.84 2nef n ILE 101 N 6.87 0.04 -1.83 6.68 2.08 -1.26 -2.80 119.36 129.14 2nef n ILE 101 Ca 0.13 -0.52 -0.43 0.00 0.56 0.00 0.00 62.75 62.48 2nef n ILE 101 Cb 0.49 -2.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.18 2nef n ILE 101 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2nef s HIS 102 N 10.27 1.54 0.00 1.39 5.65 0.93 -4.88 115.29 130.20 2nef s HIS 102 Ca 1.07 0.58 0.00 0.00 0.25 0.00 0.00 55.06 56.96 2nef s HIS 102 Cb -0.50 -4.04 0.00 0.00 -1.18 0.00 0.00 32.58 26.85 2nef s HIS 102 CO 0.35 -3.44 0.04 0.45 -0.65 0.00 0.00 174.74 171.50 2nef n SER 103 N 10.86 0.00 -1.31 9.88 2.88 -1.26 -3.34 113.62 131.32 2nef n SER 103 Ca 0.26 0.04 -0.03 0.00 -1.33 0.00 0.00 58.87 57.82 2nef n SER 103 Cb 0.46 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.92 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2nef n GLN 104 N -0.13 0.29 0.00 -1.46 -0.06 -1.26 -4.83 117.38 109.94 2nef n GLN 104 Ca 0.00 -0.57 0.00 0.00 -2.00 0.00 0.00 57.00 54.43 2nef n GLN 104 Cb 0.00 0.39 0.00 0.00 -4.06 0.00 0.00 30.24 26.57 2nef n GLN 104 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2nef n ARG 105 N -0.33 0.00 0.09 3.69 3.00 -1.26 -4.91 116.66 116.93 2nef n ARG 105 Ca -0.13 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.86 2nef n ARG 105 Cb 0.57 0.00 0.64 0.00 0.00 0.00 0.00 32.46 33.67 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2nef h ARG 106 N 0.00 0.07 -0.60 -0.14 -0.00 -1.96 -1.17 114.38 110.59 2nef h ARG 106 Ca 0.00 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 2nef h ARG 106 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 29.92 2nef h ARG 106 CO 0.00 0.05 0.33 0.37 0.00 0.00 0.00 179.97 180.72 2nef h GLN 107 N 0.08 0.84 0.03 0.04 4.15 -1.98 -2.81 115.11 115.45 2nef h GLN 107 Ca 0.16 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.49 2nef h GLN 107 Cb 0.53 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2nef h GLN 107 CO -0.01 0.63 -0.08 -0.44 -1.93 0.00 0.00 178.83 177.00 2nef h ASP 108 N 0.81 -0.22 -1.07 -0.69 5.19 -1.59 -1.27 116.42 117.59 2nef h ASP 108 Ca 0.21 0.03 0.29 0.00 -0.62 0.00 0.00 57.03 56.94 2nef h ASP 108 Cb 0.04 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 39.55 2nef h ASP 108 CO -0.03 -0.12 0.71 0.40 -3.12 0.00 0.00 179.24 177.08 2nef h ILE 109 N -0.15 0.49 0.04 0.35 1.08 -1.41 0.11 117.51 118.02 2nef h ILE 109 Ca 0.02 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2nef h ILE 109 Cb 0.18 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 2nef h ILE 109 CO -0.06 0.05 -0.02 0.25 -0.69 0.00 0.00 178.15 177.68 2nef h LEU 110 N 0.28 -0.04 -0.83 1.44 5.85 -1.05 -1.63 115.31 119.31 2nef h LEU 110 Ca 0.58 0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.51 2nef h LEU 110 Cb 1.70 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.61 2nef h LEU 110 CO -0.22 0.04 0.15 0.44 -0.34 0.00 0.00 178.44 178.52 2nef h ASP 111 N -0.19 -0.12 0.20 1.25 3.32 -1.06 0.08 116.42 119.90 2nef h ASP 111 Ca -0.01 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2nef h ASP 111 Cb 0.04 0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2nef h ASP 111 CO 0.01 -0.16 -0.09 0.25 -1.72 0.00 0.00 179.24 177.52 2nef h LEU 112 N 0.18 -0.22 -0.61 1.55 7.12 -0.90 -2.19 115.31 120.23 2nef h LEU 112 Ca 0.50 -0.15 0.12 0.00 0.13 0.00 0.00 57.88 58.49 2nef h LEU 112 Cb 0.96 0.06 -0.11 0.00 -0.53 0.00 0.00 40.66 41.04 2nef h LEU 112 CO -0.66 0.02 -0.11 -0.25 -0.13 0.00 0.00 178.44 177.31 2nef h TRP 113 N -0.47 -0.25 -0.11 1.25 7.01 -0.02 1.02 115.95 124.39 2nef h TRP 113 Ca -0.03 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.06 2nef h TRP 113 Cb 0.36 0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.62 2nef h TRP 113 CO -0.00 -0.24 0.08 0.82 -2.79 0.00 0.00 178.44 176.31 2nef h ILE 114 N 0.03 0.85 0.48 2.65 2.04 -0.99 -2.69 117.51 119.88 2nef h ILE 114 Ca 0.30 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.14 2nef h ILE 114 Cb 0.47 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2nef h ILE 114 CO -0.60 0.00 -0.23 0.22 0.00 0.00 0.00 178.15 177.54 2nef h TYR 115 N 0.00 -0.60 0.00 1.37 3.20 0.17 -2.87 116.97 118.25 2nef h TYR 115 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2nef h TYR 115 Cb 0.22 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2nef h TYR 115 CO 0.00 -0.28 0.00 0.72 -1.64 0.00 0.00 178.16 176.96 2nef n HIS 116 N -5.24 0.00 0.00 -3.82 8.25 -0.76 -2.21 115.22 111.44 2nef n HIS 116 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2nef n HIS 116 Cb 0.31 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nef n THR 117 N -0.93 0.00 1.94 1.59 -2.24 -1.08 -4.01 114.28 109.55 2nef n THR 117 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 2nef n THR 117 Cb 0.01 0.00 0.61 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 1.06 -2.74 -0.78 3.00 -1.24 -4.28 117.38 112.39 2nef n GLN 118 Ca 0.00 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.76 2nef n GLN 118 Cb 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 30.24 28.93 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nef n GLY 119 N 0.85 -0.12 3.72 1.08 0.00 -0.94 -4.49 105.19 105.29 2nef n GLY 119 Ca 0.16 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.95 3.45 0.16 1.61 2.02 -1.25 -4.62 117.35 115.77 2nef s TYR 120 Ca 0.19 1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 57.93 2nef s TYR 120 Cb -0.09 -3.42 -0.07 0.00 -0.40 0.00 0.00 41.96 37.99 2nef s TYR 120 CO 0.24 -1.24 0.98 0.12 -1.57 0.00 0.00 175.55 174.08 2nef s PHE 121 N 0.77 3.82 0.00 2.71 2.19 -1.26 -4.57 117.98 121.64 2nef s PHE 121 Ca 0.57 1.80 -0.01 0.00 0.33 0.00 0.00 56.93 59.62 2nef s PHE 121 Cb -0.30 -3.07 -0.04 0.00 -1.31 0.00 0.00 43.02 38.30 2nef s PHE 121 CO 0.31 0.13 1.64 -0.35 1.83 0.00 0.00 175.22 178.78 2nef n PRO 122 N 2.35 0.83 -0.02 10.12 -0.04 -1.26 -4.17 135.00 142.81 2nef n PRO 122 Ca 0.01 -0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2nef n PRO 122 Cb 0.48 -1.28 0.48 0.00 -0.04 0.00 0.00 33.50 33.14 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 1.84 0.46 -0.02 3.54 5.68 -1.26 -3.10 116.55 123.68 2nef n ASP 123 Ca 0.06 -1.52 0.04 0.00 -0.50 0.00 0.00 54.79 52.86 2nef n ASP 123 Cb 0.40 -0.03 -0.11 0.00 -1.14 0.00 0.00 41.12 40.25 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N -0.47 0.00 -2.44 2.11 4.27 -1.26 -4.88 117.44 114.77 2nef n TRP 124 Ca 0.14 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.33 2nef n TRP 124 Cb 0.13 -0.40 -0.03 0.00 -1.36 0.00 0.00 31.31 29.66 2nef n TRP 124 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2nef s GLN 125 N -2.83 3.34 -0.43 -2.67 -0.44 -1.18 -4.41 119.66 111.04 2nef s GLN 125 Ca -0.05 0.38 0.07 0.00 -2.50 0.00 0.00 55.36 53.25 2nef s GLN 125 Cb 0.08 -4.10 0.18 0.00 -1.64 0.00 0.00 33.01 27.52 2nef s GLN 125 CO 0.57 -1.90 0.63 -0.80 0.50 0.00 0.00 175.29 174.29 2nef s ASN 126 N 4.09 -1.25 0.80 6.67 0.01 -1.26 -5.08 114.94 118.92 2nef s ASN 126 Ca 0.49 -1.11 -0.11 0.00 -0.71 0.00 0.00 52.86 51.42 2nef s ASN 126 Cb -0.10 1.80 0.07 0.00 0.41 0.00 0.00 41.25 43.43 2nef s ASN 126 CO 0.24 -0.15 1.09 -0.31 -1.51 0.00 0.00 177.10 176.46 2nef s TYR 127 N 1.55 2.70 0.42 2.20 2.02 -1.26 -2.84 117.35 122.13 2nef s TYR 127 Ca 0.20 1.33 -0.24 0.00 -0.37 0.00 0.00 57.07 57.99 2nef s TYR 127 Cb -0.04 -3.06 -0.08 0.00 -0.40 0.00 0.00 41.96 38.38 2nef s TYR 127 CO -0.06 -1.82 1.14 0.95 -1.57 0.00 0.00 175.55 174.19 2nef s THR 128 N -3.01 3.25 -0.02 -0.71 -4.23 -0.95 -4.82 115.64 105.14 2nef s THR 128 Ca 0.61 1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 62.08 2nef s THR 128 Cb -0.16 -3.53 -0.14 0.00 1.34 0.00 0.00 72.50 70.01 2nef s THR 128 CO 0.56 0.04 2.87 -0.81 -0.54 0.00 0.00 174.62 176.74 2nef n PRO 129 N -0.12 1.58 -1.07 3.99 -0.04 -1.26 -4.75 135.00 133.33 2nef n PRO 129 Ca 0.05 -0.62 -0.10 0.00 -0.04 0.00 0.00 63.50 62.79 2nef n PRO 129 Cb 0.48 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 130 N 1.98 -0.22 0.00 0.55 0.00 -1.26 -5.08 105.19 101.16 2nef n GLY 130 Ca 0.24 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.89 2.49 -0.30 1.61 -0.02 -1.26 -4.73 135.00 130.89 2nef n PRO 131 Ca 0.06 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.56 2nef n PRO 131 Cb 0.23 0.00 0.15 0.00 -0.02 0.00 0.00 33.50 33.86 2nef n PRO 131 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2nef h GLY 132 N 0.00 1.29 -1.28 -1.23 0.00 -1.98 -3.41 103.07 96.46 2nef h GLY 132 Ca 0.00 -0.35 -0.51 0.00 0.00 0.00 0.00 47.33 46.47 2nef h GLY 132 CO 0.00 0.20 0.37 -0.42 0.00 0.00 0.00 176.54 176.68 2nef s ILE 133 N -6.05 3.89 -0.29 2.60 1.09 -1.26 -4.68 121.20 116.49 2nef s ILE 133 Ca -0.12 0.61 -0.15 0.00 -1.10 0.00 0.00 60.65 59.89 2nef s ILE 133 Cb 0.19 -3.38 0.14 0.00 -1.06 0.00 0.00 42.46 38.35 2nef s ILE 133 CO 0.79 -0.80 0.90 0.00 -0.10 0.00 0.00 174.94 175.73 2nef s ARG 134 N -5.08 0.42 0.21 2.79 1.70 -1.19 -4.50 118.95 113.30 2nef s ARG 134 Ca 0.58 0.85 -0.07 0.00 -0.47 0.00 0.00 55.73 56.62 2nef s ARG 134 Cb -0.14 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 2nef s ARG 134 CO 0.55 -0.11 0.49 0.71 -1.08 0.00 0.00 175.30 175.85 2nef s TYR 135 N 1.89 3.45 -0.02 5.89 1.51 -1.26 -3.40 117.35 125.41 2nef s TYR 135 Ca -0.07 0.70 -0.30 0.00 -1.01 0.00 0.00 57.07 56.39 2nef s TYR 135 Cb -0.05 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2nef s TYR 135 CO -0.17 0.31 1.18 -1.25 -1.11 0.00 0.00 175.55 174.51 2nef s PRO 136 N -2.93 4.39 0.06 -1.71 0.04 -1.26 -2.24 135.00 131.34 2nef s PRO 136 Ca 0.44 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 2nef s PRO 136 Cb -0.11 -3.50 -0.18 0.00 0.04 0.00 0.00 34.50 30.75 2nef s PRO 136 CO 0.24 -0.37 1.54 -0.07 0.04 0.00 0.00 177.00 178.38 2nef h LEU 137 N 7.74 -0.52-10.17 -3.56 3.38 -1.84 -3.43 115.31 106.90 2nef h LEU 137 Ca -0.36 -0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.05 2nef h LEU 137 Cb 1.18 0.14 0.14 0.00 0.09 0.00 0.00 40.66 42.20 2nef h LEU 137 CO 0.85 -0.31 0.40 0.42 0.09 0.00 0.00 178.44 179.89 2nef s THR 138 N -5.70 2.55 0.34 0.22 -4.23 -1.26 -5.01 115.64 102.54 2nef s THR 138 Ca -0.16 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 2nef s THR 138 Cb 0.03 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 2nef s THR 138 CO 0.60 -0.14 0.51 0.12 -0.54 0.00 0.00 174.62 175.18 2nef s PHE 139 N -2.03 3.34 0.00 3.99 5.36 -1.26 -4.42 117.98 122.97 2nef s PHE 139 Ca 0.73 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2nef s PHE 139 Cb -0.27 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 2nef s PHE 139 CO 0.43 0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.67 2nef n GLY 140 N -1.73 2.91 3.55 13.12 0.00 -1.26 -4.95 105.19 116.83 2nef n GLY 140 Ca -0.03 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.82 2.11 -0.18 1.61 -0.00 -1.26 -3.73 118.94 116.67 2nef s TRP 141 Ca 0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 56.10 56.18 2nef s TRP 141 Cb 0.00 -4.45 -0.05 0.00 -0.00 0.00 0.00 33.47 28.97 2nef s TRP 141 CO 0.00 -2.09 2.83 0.00 -0.00 0.00 0.00 176.95 177.69 2nef s TYR 143 N -0.39 2.80 -0.09 0.00 2.02 -1.26 -1.84 117.35 118.58 2nef s TYR 143 Ca 0.47 -1.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2nef s TYR 143 Cb 0.27 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2nef s TYR 143 CO -0.06 -0.47 -0.09 0.21 -1.57 0.00 0.00 175.55 173.56 2nef s LYS 144 N 0.85 1.52 0.30 -0.62 2.20 -1.09 -4.34 119.74 118.57 2nef s LYS 144 Ca -0.04 -0.29 -0.23 0.00 -0.36 0.00 0.00 55.97 55.04 2nef s LYS 144 Cb -0.15 -1.46 -0.09 0.00 -1.51 0.00 0.00 37.83 34.61 2nef s LYS 144 CO -0.01 -0.15 0.87 -0.51 -0.36 0.00 0.00 175.35 175.19 2nef s LEU 145 N 1.30 4.30 -0.25 5.43 1.43 -1.22 -0.94 118.68 128.73 2nef s LEU 145 Ca -0.03 1.67 -0.21 0.00 -1.03 0.00 0.00 54.13 54.53 2nef s LEU 145 Cb -0.14 -3.93 0.07 0.00 0.03 0.00 0.00 46.19 42.22 2nef s LEU 145 CO -0.03 -0.07 0.64 -0.69 0.23 0.00 0.00 176.35 176.43 2nef s VAL 146 N -1.65 -0.00 1.08 -1.59 1.01 -1.07 -3.19 120.40 114.98 2nef s VAL 146 Ca 0.49 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 2nef s VAL 146 Cb -0.17 -0.90 0.23 0.00 0.00 0.00 0.00 36.38 35.54 2nef s VAL 146 CO 0.22 0.00 1.10 -2.16 0.00 0.00 0.00 175.10 174.26 2nef s PRO 147 N 0.64 -0.21 0.61 2.72 0.04 -1.26 -2.66 135.00 134.89 2nef s PRO 147 Ca -0.02 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.25 2nef s PRO 147 Cb -0.05 -1.68 0.14 0.00 0.04 0.00 0.00 34.50 32.95 2nef s PRO 147 CO -0.04 -3.11 0.84 0.28 0.04 0.00 0.00 177.00 175.01 2nef n VAL 148 N -4.41 0.00 -2.12 -0.36 0.31 -1.26 -4.88 118.33 105.61 2nef n VAL 148 Ca 0.08 -0.81 -0.42 0.00 -0.01 0.00 0.00 64.34 63.18 2nef n VAL 148 Cb 0.58 -1.46 -0.03 0.00 -0.91 0.00 0.00 33.84 32.02 2nef n VAL 148 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nef s GLU 149 N -4.75 4.23 0.74 5.55 2.02 -1.26 -5.00 118.70 120.23 2nef s GLU 149 Ca 0.50 2.08 -0.11 0.00 0.02 0.00 0.00 54.97 57.45 2nef s GLU 149 Cb -0.02 -3.75 0.04 0.00 0.10 0.00 0.00 34.13 30.50 2nef s GLU 149 CO 0.34 -0.72 1.10 -1.25 0.02 0.00 0.00 175.26 174.76 2nef s PRO 150 N 3.16 2.56 0.00 0.39 0.04 -1.26 -5.06 135.00 134.82 2nef s PRO 150 Ca 0.68 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2nef s PRO 150 Cb -0.32 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2nef s PRO 150 CO 0.27 -1.26 0.00 0.39 0.04 0.00 0.00 177.00 176.45 2nef n GLU 151 N -3.16 0.00 0.00 4.56 -0.58 -1.26 -4.97 120.64 115.23 2nef n GLU 151 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2nef n GLU 151 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 2nef n GLU 151 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2nef n LYS 152 N 0.00 0.00 -1.89 3.49 5.02 -1.26 -5.02 118.16 118.50 2nef n LYS 152 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2nef n LYS 152 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.15 2nef n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nef s LEU 153 N 0.00 2.57 -0.43 -0.35 2.01 -1.26 -4.95 118.68 116.26 2nef s LEU 153 Ca 0.00 0.52 -0.29 0.00 0.01 0.00 0.00 54.13 54.38 2nef s LEU 153 Cb 0.00 -2.77 0.01 0.00 0.01 0.00 0.00 46.19 43.44 2nef s LEU 153 CO 0.00 -2.38 1.41 -1.61 1.01 0.00 0.00 176.35 174.79 2nef s GLU 154 N -5.73 3.53 0.52 1.70 2.02 -1.26 -4.99 118.70 114.49 2nef s GLU 154 Ca 0.68 0.87 -0.19 0.00 0.02 0.00 0.00 54.97 56.36 2nef s GLU 154 Cb -0.07 -4.04 -0.07 0.00 0.10 0.00 0.00 34.13 30.04 2nef s GLU 154 CO 0.51 -1.62 1.05 -1.21 0.02 0.00 0.00 175.26 174.01 2nef s GLU 155 N 5.02 3.66 -0.00 1.61 2.02 -1.26 -4.99 118.70 124.76 2nef s GLU 155 Ca 0.60 1.33 -0.13 0.00 0.02 0.00 0.00 54.97 56.80 2nef s GLU 155 Cb -0.13 -2.08 -0.07 0.00 0.10 0.00 0.00 34.13 31.95 2nef s GLU 155 CO 0.32 -0.54 0.80 0.00 0.02 0.00 0.00 175.26 175.86 2nef h ALA 156 N 1.26 -0.74 -4.14 5.21 0.00 -2.07 -3.45 119.26 115.33 2nef h ALA 156 Ca -0.49 -0.10 -0.45 0.00 0.00 0.00 0.00 54.91 53.87 2nef h ALA 156 Cb 1.22 0.18 -0.29 0.00 0.00 0.00 0.00 17.79 18.90 2nef h ALA 156 CO 0.59 -0.70 -0.80 0.54 0.00 0.00 0.00 179.25 178.87 2nef s ASN 157 N -3.58 1.44 -0.08 0.00 6.03 -1.26 -5.14 114.94 112.35 2nef s ASN 157 Ca -0.07 -0.22 -0.09 0.00 -1.03 0.00 0.00 52.86 51.45 2nef s ASN 157 Cb 0.01 -0.16 -0.04 0.00 -3.03 0.00 0.00 41.25 38.02 2nef s ASN 157 CO 0.20 0.15 0.22 -0.75 -2.03 0.00 0.00 177.10 174.89 2nef s LYS 158 N -0.30 3.58 -0.60 3.55 2.20 -1.26 -5.00 119.74 121.92 2nef s LYS 158 Ca 0.05 0.03 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2nef s LYS 158 Cb -0.05 -3.20 0.16 0.00 -1.51 0.00 0.00 37.83 33.23 2nef s LYS 158 CO -0.00 0.75 2.53 -0.40 -0.36 0.00 0.00 175.35 177.86 2nef n ASP 174 N 1.93 6.84 -3.68 1.43 5.75 -1.26 -4.88 116.55 122.69 2nef n ASP 174 Ca -0.18 -3.41 -0.13 0.00 -0.01 0.00 0.00 54.79 51.05 2nef n ASP 174 Cb 0.54 -1.18 -0.09 0.00 -1.03 0.00 0.00 41.12 39.36 2nef n ASP 174 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2nef s ASP 175 N -0.11 -0.58 0.36 -1.12 1.01 -1.26 -5.04 116.67 109.93 2nef s ASP 175 Ca 0.57 1.12 0.25 0.00 0.71 0.00 0.00 52.55 55.19 2nef s ASP 175 Cb 0.40 1.13 0.56 0.00 1.01 0.00 0.00 42.92 46.02 2nef s ASP 175 CO -0.28 -0.19 1.69 1.55 0.21 0.00 0.00 175.17 178.14 2nef h PRO 176 N 5.29 0.00 -2.41 8.23 0.13 -2.07 -3.36 132.00 137.81 2nef h PRO 176 Ca -0.28 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.50 2nef h PRO 176 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2nef h PRO 176 CO 0.16 0.00 1.18 0.39 -0.23 0.00 0.00 178.00 179.49 2nef n GLU 177 N -2.78 2.54 -2.74 0.86 1.02 -1.26 -4.91 120.64 113.37 2nef n GLU 177 Ca 0.04 -1.40 -0.41 0.00 -0.02 0.00 0.00 57.16 55.38 2nef n GLU 177 Cb 0.48 -2.28 -0.05 0.00 -0.02 0.00 0.00 31.44 29.57 2nef n GLU 177 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2nef s ARG 178 N 1.52 4.75 0.09 3.49 3.52 -1.26 -5.00 118.95 126.06 2nef s ARG 178 Ca 0.66 1.46 -0.30 0.00 -0.13 0.00 0.00 55.73 57.41 2nef s ARG 178 Cb 0.26 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 30.24 2nef s ARG 178 CO -0.02 0.32 1.18 -1.83 -0.81 0.00 0.00 175.30 174.14 2nef s GLU 179 N -0.41 4.47 0.00 5.12 -1.05 -1.26 -5.02 118.70 120.55 2nef s GLU 179 Ca 0.45 1.77 0.00 0.00 -0.15 0.00 0.00 54.97 57.04 2nef s GLU 179 Cb -0.24 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.12 2nef s GLU 179 CO 0.30 -0.18 0.00 0.28 0.95 0.00 0.00 175.26 176.61 2nef n VAL 180 N 3.51 0.00 -4.74 1.83 0.31 -1.26 -4.93 118.33 113.05 2nef n VAL 180 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.09 2nef n VAL 180 Cb 0.46 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.26 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 2.60 -0.01 7.52 1.43 -1.21 -4.50 118.68 124.51 2nef s LEU 181 Ca 0.00 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2nef s LEU 181 Cb 0.00 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 2nef s LEU 181 CO 0.00 0.28 -0.04 -1.83 0.23 0.00 0.00 176.35 174.99 2nef s GLU 182 N -1.26 2.67 -0.29 1.70 -1.05 -1.09 0.31 118.70 119.69 2nef s GLU 182 Ca 0.14 -0.66 -0.29 0.00 -0.15 0.00 0.00 54.97 54.01 2nef s GLU 182 Cb -0.10 -2.58 -0.01 0.00 -0.44 0.00 0.00 34.13 30.99 2nef s GLU 182 CO 0.04 0.62 1.48 -1.58 0.95 0.00 0.00 175.26 176.77 2nef s TRP 183 N -1.02 2.34 -0.61 4.83 0.51 -1.12 -2.61 118.94 121.27 2nef s TRP 183 Ca 0.18 0.69 -0.19 0.00 -2.12 0.00 0.00 56.10 54.65 2nef s TRP 183 Cb -0.11 -4.02 0.10 0.00 -0.81 0.00 0.00 33.47 28.62 2nef s TRP 183 CO 0.08 -2.33 0.75 0.50 -0.51 0.00 0.00 176.95 175.43 2nef s ARG 184 N 4.61 3.07 0.20 4.98 3.52 -0.11 0.03 118.95 135.25 2nef s ARG 184 Ca 0.65 -1.28 -0.30 0.00 -0.13 0.00 0.00 55.73 54.66 2nef s ARG 184 Cb -0.20 -4.28 -0.09 0.00 -1.56 0.00 0.00 34.95 28.82 2nef s ARG 184 CO 0.28 -1.58 1.36 0.12 -0.81 0.00 0.00 175.30 174.67 2nef s PHE 185 N 2.83 3.18 -0.44 5.12 2.19 -1.26 -2.67 117.98 126.94 2nef s PHE 185 Ca 0.13 1.12 0.08 0.00 0.33 0.00 0.00 56.93 58.58 2nef s PHE 185 Cb -0.23 -3.68 0.31 0.00 -1.31 0.00 0.00 43.02 38.11 2nef s PHE 185 CO 0.06 -2.21 0.96 -3.47 1.83 0.00 0.00 175.22 172.39 2nef n ASP 186 N 2.74 -1.54 0.06 6.13 2.03 -0.77 -4.98 116.55 120.22 2nef n ASP 186 Ca 0.07 -3.43 0.01 0.00 0.52 0.00 0.00 54.79 51.96 2nef n ASP 186 Cb 0.42 1.17 0.03 0.00 -0.72 0.00 0.00 41.12 42.02 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 0.60 0.03 0.17 1.67 3.41 -1.26 -0.81 113.62 117.42 2nef n SER 187 Ca 0.12 0.16 0.04 0.00 -0.26 0.00 0.00 58.87 58.93 2nef n SER 187 Cb 0.67 -0.09 0.47 0.00 -0.26 0.00 0.00 64.21 65.00 2nef n SER 187 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2nef h ARG 188 N 0.00 0.14 0.00 4.33 0.11 -1.93 -0.25 114.38 116.78 2nef h ARG 188 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2nef h ARG 188 Cb 1.00 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.06 2nef h ARG 188 CO 0.00 0.25 0.00 1.28 0.10 0.00 0.00 179.97 181.60 2nef n LEU 189 N -4.35 0.00 0.00 0.08 4.77 0.01 -1.59 117.00 115.92 2nef n LEU 189 Ca -0.01 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2nef n LEU 189 Cb 0.21 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.75 2nef n LEU 189 CO 0.37 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.25 2nef n ALA 190 N -0.89 1.95 0.00 -1.18 0.00 -0.10 -4.14 120.51 116.14 2nef n ALA 190 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2nef n ALA 190 Cb 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.47 0.00 -2.25 0.00 1.16 -0.62 -4.92 117.46 109.37 2nef n PHE 191 Ca 0.06 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.25 2nef n PHE 191 Cb 0.23 0.17 -0.03 0.00 -1.61 0.00 0.00 39.48 38.23 2nef n PHE 191 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2nef s HIS 192 N -1.36 1.94 -0.97 2.97 2.46 -0.99 -4.91 115.29 114.44 2nef s HIS 192 Ca 0.00 0.38 -0.24 0.00 0.47 0.00 0.00 55.06 55.67 2nef s HIS 192 Cb 0.00 -4.31 0.00 0.00 -0.13 0.00 0.00 32.58 28.14 2nef s HIS 192 CO 0.00 -2.15 1.70 -1.01 -2.47 0.00 0.00 174.74 170.81 2nef s HIS 193 N 7.78 2.18 -0.14 3.88 3.76 -1.26 -4.51 115.29 126.98 2nef s HIS 193 Ca 0.55 -0.14 -0.29 0.00 -0.15 0.00 0.00 55.06 55.03 2nef s HIS 193 Cb -0.10 -4.38 -0.26 0.00 1.11 0.00 0.00 32.58 28.95 2nef s HIS 193 CO 0.14 -1.83 0.77 1.98 -0.85 0.00 0.00 174.74 174.95 2nef h MET 194 N 10.46 0.00 -0.13 1.40 4.05 -1.90 -3.21 114.93 125.60 2nef h MET 194 Ca 0.16 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.61 2nef h MET 194 Cb 1.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 2nef h MET 194 CO 1.32 1.00 0.61 0.00 0.23 0.00 0.00 176.91 180.08 2nef h ALA 195 N -0.00 1.75 -0.12 0.39 0.00 -1.92 0.49 119.26 119.84 2nef h ALA 195 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2nef h ALA 195 Cb 1.01 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2nef h ALA 195 CO 0.00 -0.67 -0.46 -0.09 0.00 0.00 0.00 179.25 178.03 2nef h ARG 196 N 0.00 0.53 0.00 0.00 9.65 -1.89 -2.98 114.38 119.68 2nef h ARG 196 Ca 0.06 -0.40 -0.01 0.00 -1.10 0.00 0.00 59.98 58.52 2nef h ARG 196 Cb 1.28 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.93 2nef h ARG 196 CO -0.00 1.03 -0.07 1.49 2.80 0.00 0.00 179.97 185.22 2nef h GLU 197 N 0.14 0.00 0.00 0.20 4.57 -0.13 -3.26 114.58 116.10 2nef h GLU 197 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2nef h GLU 197 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2nef h GLU 197 CO 0.10 0.07 0.00 1.28 -1.18 0.00 0.00 179.01 179.28 2nef n LEU 198 N -3.19 0.50 -3.35 1.64 4.32 -0.98 -4.86 117.00 111.07 2nef n LEU 198 Ca 0.01 0.48 -0.19 0.00 -0.02 0.00 0.00 56.01 56.29 2nef n LEU 198 Cb 0.35 -0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 41.67 2nef n LEU 198 CO 0.29 -0.40 -0.18 -1.00 -1.22 0.00 0.00 177.39 174.88 2nef s HIS 199 N -1.09 -0.11 -0.51 -1.77 3.76 -1.13 -4.98 115.29 109.45 2nef s HIS 199 Ca 0.00 -1.06 0.24 0.00 -0.15 0.00 0.00 55.06 54.09 2nef s HIS 199 Cb 0.00 -0.48 0.35 0.00 1.11 0.00 0.00 32.58 33.56 2nef s HIS 199 CO 0.00 -0.96 1.41 -1.00 -0.85 0.00 0.00 174.74 173.35 2nef h PRO 200 N 6.81 0.00 0.00 8.40 0.13 -1.73 -3.33 132.00 142.28 2nef h PRO 200 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2nef h PRO 200 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2nef h PRO 200 CO 0.21 0.00 0.07 -0.85 -0.23 0.00 0.00 178.00 177.20 2nef n GLU 201 N -2.52 0.00 0.10 0.86 -0.00 -1.26 -1.05 120.64 116.77 2nef n GLU 201 Ca 0.03 0.25 -0.23 0.00 -0.00 0.00 0.00 57.16 57.21 2nef n GLU 201 Cb 0.49 -1.57 -0.13 0.00 -0.00 0.00 0.00 31.44 30.22 2nef n GLU 201 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2nef h TYR 202 N 0.00 0.99 0.00 -1.84 0.05 -1.98 -3.44 116.97 110.75 2nef h TYR 202 Ca 0.00 -0.64 0.00 0.00 0.05 0.00 0.00 58.73 58.14 2nef h TYR 202 Cb 0.14 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.81 2nef h TYR 202 CO 0.00 1.48 0.00 1.19 -1.05 0.00 0.00 178.16 179.78 2nef n PHE 203 N -3.81 0.00 -1.67 4.88 3.72 -0.21 -4.91 117.46 115.46 2nef n PHE 203 Ca -0.14 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.79 2nef n PHE 203 Cb 0.99 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.49 2nef n PHE 203 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2nef n LYS 204 N 0.00 2.06 0.00 -1.08 5.02 -1.26 -4.95 118.16 117.95 2nef n LYS 204 Ca 0.00 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2nef n LYS 204 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 2nef n LYS 204 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2nef n ASN 205 N 4.22 0.00 -0.09 4.39 4.13 -1.26 -4.62 115.26 122.04 2nef n ASN 205 Ca 0.19 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.60 2nef n ASN 205 Cb 0.28 0.00 0.87 0.00 -1.54 0.00 0.00 39.78 39.39 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54