#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bf0 h VAL 9 N 0.00 1.27 -0.42 1.39 2.07 -2.00 -0.96 116.25 117.61 2bf0 h VAL 9 Ca 0.00 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 2bf0 h VAL 9 Cb 0.00 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2bf0 h VAL 9 CO 0.00 0.47 0.02 0.50 0.02 0.00 0.00 177.57 178.57 2bf0 h LYS 10 N 0.69 0.73 0.25 1.57 3.64 -2.03 0.29 116.57 121.70 2bf0 h LYS 10 Ca 0.09 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2bf0 h LYS 10 Cb 0.80 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2bf0 h LYS 10 CO 0.07 0.80 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.46 2bf0 h ASP 11 N 0.57 -0.37 -0.79 4.20 3.32 -1.97 -0.56 116.42 120.81 2bf0 h ASP 11 Ca 0.12 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.38 2bf0 h ASP 11 Cb 0.46 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.00 2bf0 h ASP 11 CO 0.02 -0.24 0.22 0.15 -1.72 0.00 0.00 179.24 177.67 2bf0 h PHE 12 N -0.38 0.35 -0.53 4.55 3.57 -0.91 0.12 116.94 123.70 2bf0 h PHE 12 Ca -0.03 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2bf0 h PHE 12 Cb 0.31 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2bf0 h PHE 12 CO -0.08 -0.10 0.05 -0.91 -2.23 0.00 0.00 178.31 175.03 2bf0 h ASN 13 N 0.28 0.88 0.10 0.41 2.35 -0.42 -2.32 115.58 116.87 2bf0 h ASN 13 Ca 0.47 -0.28 -0.24 0.00 -0.55 0.00 0.00 56.30 55.69 2bf0 h ASN 13 Cb 0.84 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.98 2bf0 h ASN 13 CO -0.54 0.95 -0.94 0.28 -1.65 0.00 0.00 177.43 175.52 2bf0 h SER 14 N 0.79 0.77 -0.99 5.81 0.02 0.49 -2.22 113.55 118.21 2bf0 h SER 14 Ca 0.16 -0.59 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 2bf0 h SER 14 Cb 0.46 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 2bf0 h SER 14 CO 0.02 1.38 0.65 -0.29 -1.14 0.00 0.00 176.83 177.45 2bf0 h ILE 15 N 0.36 1.14 0.00 3.27 6.09 -0.85 -0.62 117.51 126.90 2bf0 h ILE 15 Ca -0.09 -0.42 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 2bf0 h ILE 15 Cb 1.58 -0.19 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 2bf0 h ILE 15 CO 0.18 0.22 -0.07 0.25 -3.07 0.00 0.00 178.15 175.66 2bf0 h LEU 16 N 1.22 0.00 -0.28 2.19 5.85 -1.18 -2.29 115.31 120.83 2bf0 h LEU 16 Ca 0.41 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.93 2bf0 h LEU 16 Cb 0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2bf0 h LEU 16 CO -0.14 0.07 -0.88 -0.33 -0.34 0.00 0.00 178.44 176.82 2bf0 h GLU 17 N 0.00 0.18 0.00 1.25 4.39 -0.49 -3.15 114.58 116.76 2bf0 h GLU 17 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2bf0 h GLU 17 Cb 0.36 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2bf0 h GLU 17 CO 0.01 0.95 0.00 0.39 -1.16 0.00 0.00 179.01 179.20 2bf0 n GLU 18 N -3.65 0.17 -1.40 2.33 -0.58 -0.87 -4.46 120.64 112.18 2bf0 n GLU 18 Ca -0.03 0.10 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 2bf0 n GLU 18 Cb 0.81 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 2bf0 n GLU 18 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2bf0 n LEU 19 N -1.38 5.90 -0.71 -4.62 7.94 -1.18 -4.49 117.00 118.46 2bf0 n LEU 19 Ca 0.08 -3.62 0.12 0.00 -1.11 0.00 0.00 56.01 51.49 2bf0 n LEU 19 Cb 0.21 -1.41 0.18 0.00 0.53 0.00 0.00 43.42 42.93 2bf0 n LEU 19 CO 0.18 0.64 0.61 0.35 -1.11 0.00 0.00 177.39 178.05 2bf0 n THR 20 N 5.21 0.00 -4.16 1.96 -2.24 -1.26 -4.77 114.28 109.02 2bf0 n THR 20 Ca 0.53 -0.37 -0.16 0.00 -2.27 0.00 0.00 64.05 61.78 2bf0 n THR 20 Cb 0.36 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 2bf0 n THR 20 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2bf0 s PHE 21 N -2.14 1.31 -1.30 4.78 -0.12 -1.26 -4.92 117.98 114.32 2bf0 s PHE 21 Ca 0.28 -1.43 -0.15 0.00 -0.05 0.00 0.00 56.93 55.58 2bf0 s PHE 21 Cb 0.20 -0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 2bf0 s PHE 21 CO 0.38 -1.02 2.24 -1.71 -0.05 0.00 0.00 175.22 175.06 2bf0 n ASN 22 N -1.41 4.17 -4.55 1.98 2.85 -1.26 -4.90 115.26 112.14 2bf0 n ASN 22 Ca 0.03 -2.75 -0.43 0.00 -0.11 0.00 0.00 54.58 51.32 2bf0 n ASN 22 Cb 0.62 -1.50 -0.04 0.00 1.24 0.00 0.00 39.78 40.10 2bf0 n ASN 22 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2bf0 s SER 23 N 3.49 6.41 0.17 1.20 0.15 -1.26 -4.92 113.70 118.93 2bf0 s SER 23 Ca 0.52 -0.10 -0.16 0.00 0.70 0.00 0.00 55.95 56.90 2bf0 s SER 23 Cb 0.14 -2.48 0.11 0.00 -1.71 0.00 0.00 66.02 62.09 2bf0 s SER 23 CO -0.04 -1.26 1.69 0.03 1.20 0.00 0.00 173.24 174.86 2bf0 h ARG 24 N 9.33 0.08 -0.20 5.44 2.47 -1.99 -0.59 114.38 128.92 2bf0 h ARG 24 Ca -0.25 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.52 2bf0 h ARG 24 Cb 1.07 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.31 2bf0 h ARG 24 CO 1.11 0.05 -0.18 -1.35 0.56 0.00 0.00 179.97 180.16 2bf0 h PRO 25 N 0.08 -0.19 -0.22 0.04 0.11 -1.98 0.27 132.00 130.11 2bf0 h PRO 25 Ca 0.20 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2bf0 h PRO 25 Cb 0.29 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2bf0 h PRO 25 CO -0.35 -0.12 0.10 0.82 -0.21 0.00 0.00 178.00 178.24 2bf0 h ILE 26 N -0.19 1.15 -0.43 4.15 2.04 -1.92 0.32 117.51 122.62 2bf0 h ILE 26 Ca 0.12 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2bf0 h ILE 26 Cb 0.37 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2bf0 h ILE 26 CO -0.31 0.14 0.23 0.40 0.00 0.00 0.00 178.15 178.61 2bf0 h ILE 27 N 0.22 1.00 -0.86 -0.67 2.04 -0.80 0.21 117.51 118.65 2bf0 h ILE 27 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2bf0 h ILE 27 Cb 0.14 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2bf0 h ILE 27 CO -0.01 0.08 0.55 0.74 0.00 0.00 0.00 178.15 179.52 2bf0 h THR 28 N 0.46 1.23 -0.12 -0.27 2.02 -0.07 -1.44 112.91 114.73 2bf0 h THR 28 Ca 0.18 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2bf0 h THR 28 Cb 0.06 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2bf0 h THR 28 CO -0.11 0.23 -0.00 0.74 0.37 0.00 0.00 175.52 176.75 2bf0 h THR 29 N 1.18 1.25 -0.70 3.16 2.02 0.13 -1.91 112.91 118.05 2bf0 h THR 29 Ca 0.31 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.71 2bf0 h THR 29 Cb -0.10 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 2bf0 h THR 29 CO -0.06 0.24 0.46 -0.07 0.37 0.00 0.00 175.52 176.45 2bf0 h LEU 30 N -0.06 0.73 -0.68 2.58 3.38 -0.36 -1.90 115.31 119.00 2bf0 h LEU 30 Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2bf0 h LEU 30 Cb 0.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2bf0 h LEU 30 CO 0.01 0.51 -0.07 0.74 0.09 0.00 0.00 178.44 179.71 2bf0 h THR 31 N 0.85 1.26 -0.24 0.22 2.02 -0.98 -1.85 112.91 114.19 2bf0 h THR 31 Ca 0.28 -1.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 2bf0 h THR 31 Cb 0.04 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2bf0 h THR 31 CO -0.08 0.42 -0.09 0.50 0.37 0.00 0.00 175.52 176.65 2bf0 h LYS 32 N 0.86 0.48 -0.87 6.66 3.64 -0.71 -1.69 116.57 124.94 2bf0 h LYS 32 Ca 0.14 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2bf0 h LYS 32 Cb 0.60 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 2bf0 h LYS 32 CO 0.04 0.73 0.53 -0.07 -2.27 0.00 0.00 179.45 178.41 2bf0 h LEU 33 N 0.21 0.83 -0.32 5.20 3.38 -1.04 0.19 115.31 123.76 2bf0 h LEU 33 Ca 0.06 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2bf0 h LEU 33 Cb 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2bf0 h LEU 33 CO 0.03 0.52 -0.18 0.00 0.09 0.00 0.00 178.44 178.90 2bf0 h ALA 34 N 1.42 0.45 -0.73 1.53 0.00 -1.30 -1.66 119.26 118.97 2bf0 h ALA 34 Ca 0.39 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2bf0 h ALA 34 Cb 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2bf0 h ALA 34 CO -0.19 0.37 0.46 1.49 0.00 0.00 0.00 179.25 181.38 2bf0 h GLU 35 N 0.44 0.87 0.00 0.00 4.81 -0.63 -3.01 114.58 117.05 2bf0 h GLU 35 Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2bf0 h GLU 35 Cb 0.71 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2bf0 h GLU 35 CO 0.05 0.58 -0.43 0.93 -0.73 0.00 0.00 179.01 179.41 2bf0 h GLU 36 N 0.90 0.00 -2.00 1.92 5.08 -0.90 -3.37 114.58 116.20 2bf0 h GLU 36 Ca 0.29 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.08 2bf0 h GLU 36 Cb 0.02 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 28.85 2bf0 h GLU 36 CO -0.11 0.00 -0.74 0.09 -1.00 0.00 0.00 179.01 177.24 2bf0 n ASN 37 N -2.20 4.06 -0.12 1.42 3.02 -0.63 -4.87 115.26 115.95 2bf0 n ASN 37 Ca 0.04 -3.59 0.23 0.00 -0.03 0.00 0.00 54.58 51.23 2bf0 n ASN 37 Cb 0.44 -0.54 0.67 0.00 -0.61 0.00 0.00 39.78 39.74 2bf0 n ASN 37 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2bf0 h ILE 38 N 2.68 0.66 -0.18 2.41 1.08 -1.74 0.38 117.51 122.80 2bf0 h ILE 38 Ca 0.16 -0.03 0.04 0.00 -0.39 0.00 0.00 64.86 64.64 2bf0 h ILE 38 Cb 0.69 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2bf0 h ILE 38 CO 0.78 0.02 0.13 0.77 -0.69 0.00 0.00 178.15 179.15 2bf0 h SER 39 N 0.09 0.07 -0.57 1.72 4.64 -1.91 -1.17 113.55 116.41 2bf0 h SER 39 Ca 0.36 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2bf0 h SER 39 Cb 1.30 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2bf0 h SER 39 CO -0.04 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2bf0 s ALA 41 N -1.24 3.66 0.00 0.00 0.00 -0.45 -2.07 121.76 121.66 2bf0 s ALA 41 Ca 0.39 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2bf0 s ALA 41 Cb 0.20 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2bf0 s ALA 41 CO 0.26 -0.75 0.00 0.94 0.00 0.00 0.00 175.76 176.22 2bf0 n GLN 42 N 2.73 0.00 -0.09 0.00 -0.06 -1.26 -4.76 117.38 113.94 2bf0 n GLN 42 Ca 0.08 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.96 2bf0 n GLN 42 Cb 0.40 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.54 2bf0 n GLN 42 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 2bf0 h TYR 43 N 0.00 0.66 -0.03 3.69 0.99 -1.79 1.33 116.97 121.81 2bf0 h TYR 43 Ca 0.00 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 60.56 2bf0 h TYR 43 Cb 0.00 -0.15 -0.00 0.00 1.00 0.00 0.00 36.73 37.58 2bf0 h TYR 43 CO 0.00 0.82 0.02 0.74 -0.00 0.00 0.00 178.16 179.74 2bf0 h PHE 44 N 0.30 0.05 -0.41 4.88 0.05 -1.77 0.24 116.94 120.28 2bf0 h PHE 44 Ca 0.06 -0.00 0.03 0.00 3.82 0.00 0.00 57.97 61.88 2bf0 h PHE 44 Cb 0.65 -0.02 -0.04 0.00 2.00 0.00 0.00 35.95 38.55 2bf0 h PHE 44 CO 0.06 0.13 0.20 0.28 -0.18 0.00 0.00 178.31 178.80 2bf0 h VAL 45 N -0.05 0.97 -0.62 -0.55 2.07 -1.83 0.13 116.25 116.37 2bf0 h VAL 45 Ca 0.01 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2bf0 h VAL 45 Cb 0.10 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 2bf0 h VAL 45 CO -0.00 0.07 0.23 0.44 0.02 0.00 0.00 177.57 178.33 2bf0 h ASP 46 N 0.41 0.22 -0.34 0.57 3.32 0.21 -0.43 116.42 120.38 2bf0 h ASP 46 Ca 0.18 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 2bf0 h ASP 46 Cb 0.09 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2bf0 h ASP 46 CO -0.13 0.13 -0.28 0.00 -1.72 0.00 0.00 179.24 177.24 2bf0 h ALA 47 N 1.43 0.49 -0.50 3.45 0.00 0.60 -1.20 119.26 123.54 2bf0 h ALA 47 Ca 0.31 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2bf0 h ALA 47 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2bf0 h ALA 47 CO -0.32 0.51 0.15 0.82 0.00 0.00 0.00 179.25 180.41 2bf0 h ILE 48 N 0.57 1.23 -0.62 0.00 1.08 -0.47 -1.87 117.51 117.43 2bf0 h ILE 48 Ca 0.06 -0.79 -0.07 0.00 -0.39 0.00 0.00 64.86 63.67 2bf0 h ILE 48 Cb 0.85 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 2bf0 h ILE 48 CO 0.07 0.29 0.12 -0.33 -0.69 0.00 0.00 178.15 177.61 2bf0 h GLU 49 N 0.68 1.01 -0.31 2.37 5.08 -1.04 0.40 114.58 122.77 2bf0 h GLU 49 Ca 0.16 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2bf0 h GLU 49 Cb 0.29 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2bf0 h GLU 49 CO -0.00 0.94 0.20 1.03 -1.00 0.00 0.00 179.01 180.17 2bf0 h SER 50 N 0.92 0.33 -0.04 1.42 0.87 -1.14 0.12 113.55 116.04 2bf0 h SER 50 Ca 0.19 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2bf0 h SER 50 Cb 0.41 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2bf0 h SER 50 CO 0.01 0.24 0.01 -0.09 -0.53 0.00 0.00 176.83 176.47 2bf0 h ARG 51 N 0.40 0.03 -0.72 2.24 9.65 -0.94 -0.17 114.38 124.87 2bf0 h ARG 51 Ca 0.12 -0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2bf0 h ARG 51 Cb -0.03 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 2bf0 h ARG 51 CO -0.04 0.02 0.40 0.82 2.80 0.00 0.00 179.97 183.97 2bf0 h ILE 52 N 0.03 0.93 0.00 1.20 2.04 -0.52 -0.93 117.51 120.27 2bf0 h ILE 52 Ca 0.02 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 2bf0 h ILE 52 Cb 0.01 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 2bf0 h ILE 52 CO -0.02 0.13 -0.43 -0.08 0.00 0.00 0.00 178.15 177.75 2bf0 h GLU 53 N 0.71 0.00 0.00 2.37 4.81 -0.31 -3.39 114.58 118.77 2bf0 h GLU 53 Ca 0.34 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 2bf0 h GLU 53 Cb 0.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2bf0 h GLU 53 CO -0.21 0.43 -1.63 1.63 -0.73 0.00 0.00 179.01 178.49 2bf0 n LYS 54 N -3.45 1.97 0.00 1.92 5.02 -0.11 -5.09 118.16 118.42 2bf0 n LYS 54 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2bf0 n LYS 54 Cb 0.58 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 2bf0 n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bf0 n PRO 57 N 0.00 0.66 0.00 0.00 -0.02 -1.26 -4.82 135.00 129.56 2bf0 n PRO 57 Ca 0.00 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 2bf0 n PRO 57 Cb 0.00 -1.70 0.64 0.00 -0.02 0.00 0.00 33.50 32.43 2bf0 n PRO 57 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2bf0 n LYS 58 N -2.99 1.39 0.00 -0.52 2.85 -1.26 -3.63 118.16 114.00 2bf0 n LYS 58 Ca -0.24 -0.63 0.00 0.00 -1.05 0.00 0.00 58.31 56.39 2bf0 n LYS 58 Cb 1.08 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.98 2bf0 n LYS 58 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2bf0 n GLN 59 N -0.25 0.07 0.01 -1.58 6.02 -1.26 -4.70 117.38 115.68 2bf0 n GLN 59 Ca 0.20 -0.36 0.05 0.00 -0.01 0.00 0.00 57.00 56.88 2bf0 n GLN 59 Cb 0.28 -0.85 0.45 0.00 1.02 0.00 0.00 30.24 31.14 2bf0 n GLN 59 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2bf0 h LYS 60 N 0.00 0.49 -0.66 -1.09 1.57 -1.88 -2.63 116.57 112.38 2bf0 h LYS 60 Ca 0.00 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2bf0 h LYS 60 Cb 0.07 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2bf0 h LYS 60 CO 0.00 0.32 0.40 1.25 -0.57 0.00 0.00 179.45 180.85 2bf0 h LEU 61 N 0.50 0.64 -1.15 2.94 5.85 -1.84 -1.82 115.31 120.44 2bf0 h LEU 61 Ca 0.16 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 2bf0 h LEU 61 Cb 0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2bf0 h LEU 61 CO -0.04 0.44 -0.20 1.88 -0.34 0.00 0.00 178.44 180.18 2bf0 h TYR 62 N 0.77 0.39 -0.27 1.25 0.99 -1.81 0.73 116.97 119.01 2bf0 h TYR 62 Ca 0.27 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.87 2bf0 h TYR 62 Cb 0.07 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.68 2bf0 h TYR 62 CO -0.06 0.54 -0.11 0.00 -0.00 0.00 0.00 178.16 178.53 2bf0 h ALA 63 N 1.47 1.31 -0.08 3.88 0.00 -1.45 -1.17 119.26 123.22 2bf0 h ALA 63 Ca 0.06 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2bf0 h ALA 63 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2bf0 h ALA 63 CO 0.04 0.46 -0.53 0.74 0.00 0.00 0.00 179.25 179.96 2bf0 h PHE 64 N 0.42 0.28 -0.36 0.00 -1.00 -0.33 -1.30 116.94 114.65 2bf0 h PHE 64 Ca 0.08 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2bf0 h PHE 64 Cb 0.45 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 2bf0 h PHE 64 CO 0.01 0.71 0.17 1.88 -1.61 0.00 0.00 178.31 179.48 2bf0 h TYR 65 N 0.18 0.53 -0.46 -0.55 0.99 -0.05 0.34 116.97 117.95 2bf0 h TYR 65 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2bf0 h TYR 65 Cb 1.00 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 38.54 2bf0 h TYR 65 CO 0.02 0.45 0.30 0.00 -0.00 0.00 0.00 178.16 178.92 2bf0 h ALA 66 N 1.03 0.58 -0.69 3.88 0.00 -1.10 0.80 119.26 123.76 2bf0 h ALA 66 Ca 0.12 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2bf0 h ALA 66 Cb 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2bf0 h ALA 66 CO -0.02 0.05 0.41 1.25 0.00 0.00 0.00 179.25 180.94 2bf0 h LEU 67 N 0.62 0.65 0.54 0.00 6.46 -0.82 -2.22 115.31 120.55 2bf0 h LEU 67 Ca 0.17 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 2bf0 h LEU 67 Cb -0.05 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2bf0 h LEU 67 CO -0.03 0.44 -0.26 -0.78 -0.62 0.00 0.00 178.44 177.18 2bf0 h ASP 68 N 0.79 -0.63 -0.71 1.25 1.82 0.76 -2.44 116.42 117.26 2bf0 h ASP 68 Ca 0.29 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.06 2bf0 h ASP 68 Cb 0.10 0.16 -0.08 0.00 0.68 0.00 0.00 39.33 40.19 2bf0 h ASP 68 CO -0.14 -0.45 0.33 -1.28 -1.61 0.00 0.00 179.24 176.09 2bf0 h SER 69 N -0.73 0.39 -0.40 2.28 0.87 -0.72 0.29 113.55 115.53 2bf0 h SER 69 Ca -0.07 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2bf0 h SER 69 Cb 0.57 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 2bf0 h SER 69 CO 0.12 0.21 0.15 0.40 -0.53 0.00 0.00 176.83 177.17 2bf0 h ILE 70 N 0.54 1.20 -0.54 2.23 2.04 -1.34 0.31 117.51 121.95 2bf0 h ILE 70 Ca 0.36 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 2bf0 h ILE 70 Cb 0.44 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2bf0 h ILE 70 CO -0.31 0.23 -0.10 0.00 0.00 0.00 0.00 178.15 177.97 2bf0 h LYS 72 N 0.89 0.63 0.00 0.00 3.64 -0.79 -2.26 116.57 118.68 2bf0 h LYS 72 Ca 0.14 -0.39 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 2bf0 h LYS 72 Cb 0.67 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2bf0 h LYS 72 CO 0.05 1.01 -2.00 0.09 -2.27 0.00 0.00 179.45 176.32 2bf0 n ASN 73 N -3.97 0.09 -0.10 4.20 5.03 0.11 -4.62 115.26 116.00 2bf0 n ASN 73 Ca -0.03 0.04 -0.18 0.00 0.87 0.00 0.00 54.58 55.27 2bf0 n ASN 73 Cb 0.61 1.58 -0.07 0.00 -1.02 0.00 0.00 39.78 40.87 2bf0 n ASN 73 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2bf0 n VAL 74 N -2.43 1.06 -3.69 2.41 0.31 0.54 -5.05 118.33 111.48 2bf0 n VAL 74 Ca -0.11 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2bf0 n VAL 74 Cb 0.72 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2bf0 n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bf0 n GLY 75 N 2.05 0.19 3.72 2.92 0.00 -0.85 -4.85 105.19 108.37 2bf0 n GLY 75 Ca -0.37 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 2bf0 n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bf0 n SER 76 N 2.97 3.10 -0.97 1.61 2.88 -1.26 -0.87 113.62 121.08 2bf0 n SER 76 Ca 0.00 1.21 0.08 0.00 -1.33 0.00 0.00 58.87 58.83 2bf0 n SER 76 Cb 0.00 -1.53 0.23 0.00 -0.75 0.00 0.00 64.21 62.16 2bf0 n SER 76 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2bf0 n PRO 77 N 0.59 2.25 -0.14 -1.46 -0.04 -1.26 -4.92 135.00 130.01 2bf0 n PRO 77 Ca 0.04 -1.86 -0.10 0.00 -0.04 0.00 0.00 63.50 61.53 2bf0 n PRO 77 Cb 0.37 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 2bf0 n PRO 77 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2bf0 h TYR 78 N 3.00 0.78 -0.40 0.54 -1.99 -1.38 -1.22 116.97 116.30 2bf0 h TYR 78 Ca 0.00 -0.13 0.08 0.00 2.00 0.00 0.00 58.73 60.68 2bf0 h TYR 78 Cb 0.72 -0.21 -0.08 0.00 2.00 0.00 0.00 36.73 39.16 2bf0 h TYR 78 CO 0.36 0.78 -0.12 1.79 -0.00 0.00 0.00 178.16 180.96 2bf0 h THR 79 N 0.56 0.55 -0.26 -2.88 1.35 -1.85 0.37 112.91 110.75 2bf0 h THR 79 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.98 2bf0 h THR 79 Cb 0.45 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 2bf0 h THR 79 CO 0.02 0.00 0.16 0.40 -0.25 0.00 0.00 175.52 175.85 2bf0 h ILE 80 N -0.03 1.09 -0.17 6.82 1.08 -1.84 -1.64 117.51 122.82 2bf0 h ILE 80 Ca 0.20 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2bf0 h ILE 80 Cb 0.33 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2bf0 h ILE 80 CO -0.43 0.09 0.06 1.88 -0.69 0.00 0.00 178.15 179.06 2bf0 h TYR 81 N 0.33 0.27 -0.07 1.37 0.99 -0.49 -3.01 116.97 116.37 2bf0 h TYR 81 Ca 0.09 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.73 2bf0 h TYR 81 Cb 0.01 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 37.65 2bf0 h TYR 81 CO -0.05 0.35 -0.29 0.74 -0.00 0.00 0.00 178.16 178.92 2bf0 h PHE 82 N 0.11 0.13 -0.95 4.88 0.05 -0.25 -3.01 116.94 117.90 2bf0 h PHE 82 Ca 0.06 -0.02 0.27 0.00 3.82 0.00 0.00 57.97 62.09 2bf0 h PHE 82 Cb 0.20 -0.03 -0.14 0.00 2.00 0.00 0.00 35.95 37.98 2bf0 h PHE 82 CO -0.01 0.40 0.44 0.77 -0.18 0.00 0.00 178.31 179.73 2bf0 h SER 83 N 0.11 0.34 -0.76 2.17 0.02 -1.15 -1.77 113.55 112.50 2bf0 h SER 83 Ca 0.02 0.18 0.11 0.00 -0.84 0.00 0.00 61.79 61.25 2bf0 h SER 83 Cb 0.57 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.20 2bf0 h SER 83 CO 0.04 -0.10 0.39 0.03 -1.14 0.00 0.00 176.83 176.05 2bf0 h ARG 84 N 0.33 0.61 -0.07 3.45 3.08 -1.62 -3.08 114.38 117.08 2bf0 h ARG 84 Ca 0.64 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.65 2bf0 h ARG 84 Cb 1.35 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2bf0 h ARG 84 CO -0.60 0.41 0.00 0.09 -1.07 0.00 0.00 179.97 178.80 2bf0 n ASN 85 N -4.85 2.01 -0.07 7.04 3.02 -1.05 -4.79 115.26 116.57 2bf0 n ASN 85 Ca 0.13 -1.53 -0.10 0.00 -0.03 0.00 0.00 54.58 53.05 2bf0 n ASN 85 Cb 0.32 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 2bf0 n ASN 85 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2bf0 h LEU 86 N 1.85 -1.24 -0.03 3.41 5.85 -1.23 -0.93 115.31 122.99 2bf0 h LEU 86 Ca 0.00 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2bf0 h LEU 86 Cb 0.46 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2bf0 h LEU 86 CO 0.00 -0.37 -0.04 0.15 -0.34 0.00 0.00 178.44 177.84 2bf0 h PHE 87 N -0.36 -0.10 -0.59 1.25 3.57 -1.82 0.22 116.94 119.11 2bf0 h PHE 87 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2bf0 h PHE 87 Cb 0.58 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 2bf0 h PHE 87 CO -0.53 -0.07 0.22 -0.91 -2.23 0.00 0.00 178.31 174.79 2bf0 h ASN 88 N -0.06 0.80 0.04 0.41 -0.26 -1.82 0.42 115.58 115.10 2bf0 h ASN 88 Ca 0.03 -0.11 -0.18 0.00 -0.56 0.00 0.00 56.30 55.48 2bf0 h ASN 88 Cb 0.10 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 2bf0 h ASN 88 CO -0.07 0.73 -0.65 -0.07 -1.06 0.00 0.00 177.43 176.31 2bf0 h LEU 89 N 0.85 0.67 -0.03 1.61 3.38 -0.97 -2.66 115.31 118.16 2bf0 h LEU 89 Ca 0.20 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2bf0 h LEU 89 Cb 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bf0 h LEU 89 CO -0.02 1.14 0.00 0.22 0.09 0.00 0.00 178.44 179.88 2bf0 h TYR 90 N 0.42 0.06 0.19 1.13 3.20 -0.64 -2.20 116.97 119.14 2bf0 h TYR 90 Ca -0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 2bf0 h TYR 90 Cb 1.22 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 2bf0 h TYR 90 CO 0.05 0.32 -0.34 -0.22 -1.64 0.00 0.00 178.16 176.34 2bf0 h LYS 91 N -0.21 -0.59 -1.01 1.82 3.64 -0.95 -0.54 116.57 118.72 2bf0 h LYS 91 Ca 0.01 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2bf0 h LYS 91 Cb 0.30 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 2bf0 h LYS 91 CO 0.00 -0.39 0.66 -0.09 -2.27 0.00 0.00 179.45 177.36 2bf0 h ARG 92 N -0.61 1.23 0.06 1.90 2.43 -1.50 -1.03 114.38 116.86 2bf0 h ARG 92 Ca 0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2bf0 h ARG 92 Cb 0.61 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2bf0 h ARG 92 CO -0.15 0.82 -0.03 1.15 -1.51 0.00 0.00 179.97 180.24 2bf0 h THR 93 N 1.27 1.08 -0.71 0.20 2.02 -1.16 -2.33 112.91 113.28 2bf0 h THR 93 Ca 0.40 -0.48 0.14 0.00 0.77 0.00 0.00 66.41 67.25 2bf0 h THR 93 Cb 0.01 1.39 -0.10 0.00 -1.74 0.00 0.00 68.15 67.72 2bf0 h THR 93 CO -0.13 0.12 0.22 0.22 0.37 0.00 0.00 175.52 176.32 2bf0 h TYR 94 N -0.30 0.35 0.00 3.16 3.20 -0.62 -0.49 116.97 122.28 2bf0 h TYR 94 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2bf0 h TYR 94 Cb 0.26 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2bf0 h TYR 94 CO -0.00 -0.01 0.00 1.28 -1.64 0.00 0.00 178.16 177.78 2bf0 n LEU 95 N -5.09 0.45 -0.27 2.82 4.77 -0.44 -3.28 117.00 115.97 2bf0 n LEU 95 Ca 0.13 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.79 2bf0 n LEU 95 Cb 0.41 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2bf0 n LEU 95 CO 0.16 -0.40 0.17 0.18 -1.33 0.00 0.00 177.39 176.17 2bf0 n LEU 96 N -1.99 1.40 -4.68 2.23 4.77 -0.22 -5.02 117.00 113.49 2bf0 n LEU 96 Ca 0.03 -0.68 -0.25 0.00 -0.03 0.00 0.00 56.01 55.08 2bf0 n LEU 96 Cb 0.24 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 2bf0 n LEU 96 CO 0.19 0.28 -0.23 0.68 -1.33 0.00 0.00 177.39 176.98 2bf0 s VAL 97 N -2.15 2.39 1.06 4.08 -7.23 -1.04 -4.84 120.40 112.67 2bf0 s VAL 97 Ca 0.12 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 2bf0 s VAL 97 Cb 0.13 -2.93 0.22 0.00 0.56 0.00 0.00 36.38 34.37 2bf0 s VAL 97 CO 0.50 -0.08 1.19 1.51 -0.31 0.00 0.00 175.10 177.92 2bf0 s ASP 98 N -3.80 2.24 0.22 4.85 1.47 -1.26 -4.75 116.67 115.63 2bf0 s ASP 98 Ca 0.38 0.59 -0.02 0.00 1.18 0.00 0.00 52.55 54.67 2bf0 s ASP 98 Cb 0.03 -0.84 0.22 0.00 -0.34 0.00 0.00 42.92 42.00 2bf0 s ASP 98 CO 0.21 -3.30 1.62 0.78 0.68 0.00 0.00 175.17 175.15 2bf0 h ASN 99 N -2.02 0.66 -0.59 2.11 2.35 -1.99 -1.61 115.58 114.49 2bf0 h ASN 99 Ca -0.46 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.05 2bf0 h ASN 99 Cb 1.28 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.43 2bf0 h ASN 99 CO 0.42 0.94 0.36 0.74 -1.65 0.00 0.00 177.43 178.24 2bf0 h THR 100 N 0.54 1.07 -0.41 2.81 2.02 -2.00 -1.04 112.91 115.89 2bf0 h THR 100 Ca 0.06 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 2bf0 h THR 100 Cb 0.82 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2bf0 h THR 100 CO 0.07 0.13 -0.27 0.74 0.37 0.00 0.00 175.52 176.56 2bf0 h THR 101 N 0.71 1.27 -0.66 3.16 2.02 -1.87 -2.86 112.91 114.70 2bf0 h THR 101 Ca 0.24 -1.43 0.10 0.00 0.77 0.00 0.00 66.41 66.08 2bf0 h THR 101 Cb 0.02 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 2bf0 h THR 101 CO -0.10 0.48 0.28 0.03 0.37 0.00 0.00 175.52 176.58 2bf0 h ARG 102 N 0.74 0.47 -0.41 6.66 3.08 -0.92 0.80 114.38 124.80 2bf0 h ARG 102 Ca 0.08 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2bf0 h ARG 102 Cb 0.85 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 2bf0 h ARG 102 CO 0.07 0.31 0.14 1.15 -1.07 0.00 0.00 179.97 180.57 2bf0 h THR 103 N 0.48 0.86 -0.84 2.04 2.02 -0.98 0.15 112.91 116.65 2bf0 h THR 103 Ca 0.33 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 2bf0 h THR 103 Cb 0.39 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 2bf0 h THR 103 CO -0.30 0.05 0.47 0.11 0.37 0.00 0.00 175.52 176.22 2bf0 h LYS 104 N 0.30 1.16 -0.81 6.66 1.57 -1.20 -1.00 116.57 123.25 2bf0 h LYS 104 Ca 0.19 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2bf0 h LYS 104 Cb 0.18 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2bf0 h LYS 104 CO -0.20 0.84 0.44 -0.07 -0.57 0.00 0.00 179.45 179.89 2bf0 h LEU 105 N 1.17 1.01 -0.24 2.94 3.38 0.22 -2.97 115.31 120.84 2bf0 h LEU 105 Ca 0.30 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.98 2bf0 h LEU 105 Cb 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2bf0 h LEU 105 CO -0.05 0.82 -0.63 0.40 0.09 0.00 0.00 178.44 179.08 2bf0 h ILE 106 N 1.14 1.28 0.00 1.22 2.04 -0.54 -1.68 117.51 120.97 2bf0 h ILE 106 Ca 0.29 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2bf0 h ILE 106 Cb 0.04 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2bf0 h ILE 106 CO -0.04 0.58 0.00 0.59 0.00 0.00 0.00 178.15 179.28 2bf0 n ASN 107 N -4.00 0.08 0.00 1.72 3.02 -0.42 -1.38 115.26 114.28 2bf0 n ASN 107 Ca -0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2bf0 n ASN 107 Cb 0.67 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 2bf0 n ASN 107 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2bf0 n PHE 109 N 0.89 0.00 -0.37 3.10 7.35 -0.63 -2.33 117.46 125.47 2bf0 n PHE 109 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2bf0 n PHE 109 Cb 0.01 0.00 0.13 0.00 0.35 0.00 0.00 39.48 39.97 2bf0 n PHE 109 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2bf0 h LYS 110 N 0.00 1.28 -0.16 -4.13 1.57 -1.51 -2.26 116.57 111.35 2bf0 h LYS 110 Ca 0.00 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 2bf0 h LYS 110 Cb 0.00 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 2bf0 h LYS 110 CO 0.00 0.85 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.35 2bf0 h LEU 111 N 1.32 0.32 -1.91 2.94 3.38 -1.68 -2.67 115.31 117.01 2bf0 h LEU 111 Ca 0.38 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2bf0 h LEU 111 Cb -0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2bf0 h LEU 111 CO -0.10 0.62 -0.08 -0.50 0.09 0.00 0.00 178.44 178.48 2bf0 h TRP 112 N 0.28 0.00 0.10 1.13 6.55 -1.71 0.12 115.95 122.41 2bf0 h TRP 112 Ca 0.04 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.60 2bf0 h TRP 112 Cb 0.69 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.98 2bf0 h TRP 112 CO 0.02 0.08 -1.44 -0.07 -1.05 0.00 0.00 178.44 175.97 2bf0 h LEU 113 N 0.00 0.32 -6.98 -4.49 3.38 -1.40 -2.83 115.31 103.31 2bf0 h LEU 113 Ca -0.00 -0.82 -0.62 0.00 0.09 0.00 0.00 57.88 56.53 2bf0 h LEU 113 Cb 0.15 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 40.38 2bf0 h LEU 113 CO 0.01 1.62 -0.68 0.20 0.09 0.00 0.00 178.44 179.69 2bf0 s ASN 114 N -6.99 3.99 0.00 -0.43 0.01 -1.02 -4.10 114.94 106.40 2bf0 s ASN 114 Ca -0.22 -3.45 0.00 0.00 -0.71 0.00 0.00 52.86 48.49 2bf0 s ASN 114 Cb 0.05 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.37 2bf0 s ASN 114 CO 0.74 -0.14 0.00 -2.65 -1.51 0.00 0.00 177.10 173.54 2bf0 n PRO 115 N 2.48 0.00 0.00 -0.60 -0.02 0.40 -4.44 135.00 132.81 2bf0 n PRO 115 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2bf0 n PRO 115 Cb 0.37 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2bf0 n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2bf0 n ASN 116 N 0.89 0.00 0.00 2.55 3.02 -1.26 -4.49 115.26 115.98 2bf0 n ASN 116 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2bf0 n ASN 116 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2bf0 n ASN 116 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2bf0 n ASP 117 N 1.12 0.00 0.00 6.41 5.68 -1.26 -3.80 116.55 124.69 2bf0 n ASP 117 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2bf0 n ASP 117 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2bf0 n ASP 117 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2bf0 n THR 118 N 9.00 0.00 -1.30 2.12 -1.04 -1.26 -5.07 114.28 116.72 2bf0 n THR 118 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2bf0 n THR 118 Cb 0.00 0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 2bf0 n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bf0 n GLY 119 N 1.79 0.49 3.65 3.41 0.00 -1.25 -5.12 105.19 108.16 2bf0 n GLY 119 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 2bf0 n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bf0 s LEU 120 N -1.38 -0.19 -0.30 0.99 2.96 -1.26 -5.02 118.68 114.48 2bf0 s LEU 120 Ca 0.00 0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 54.01 2bf0 s LEU 120 Cb 0.00 1.36 -0.11 0.00 0.50 0.00 0.00 46.19 47.94 2bf0 s LEU 120 CO 0.00 -0.06 1.25 -2.65 -1.32 0.00 0.00 176.35 173.57 2bf0 n PRO 121 N 1.97 0.00 0.14 0.98 -0.02 -1.26 -4.75 135.00 132.06 2bf0 n PRO 121 Ca -0.12 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.52 2bf0 n PRO 121 Cb 0.57 -0.89 0.71 0.00 -0.02 0.00 0.00 33.50 33.86 2bf0 n PRO 121 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2bf0 h LEU 122 N 5.17 0.00 -8.25 2.45 5.85 -1.82 -3.38 115.31 115.34 2bf0 h LEU 122 Ca -0.07 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.01 2bf0 h LEU 122 Cb 0.84 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.54 2bf0 h LEU 122 CO 0.64 0.00 -0.86 -0.36 -0.34 0.00 0.00 178.44 177.52 2bf0 s PHE 123 N -4.94 2.25 0.35 1.25 0.40 -1.26 -4.85 117.98 111.17 2bf0 s PHE 123 Ca -0.05 -0.89 0.07 0.00 -0.60 0.00 0.00 56.93 55.46 2bf0 s PHE 123 Cb 0.18 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 2bf0 s PHE 123 CO 0.67 -0.37 0.40 -1.83 0.70 0.00 0.00 175.22 174.79 2bf0 s GLU 124 N 0.39 2.89 0.37 0.44 -1.05 -1.26 -4.83 118.70 115.65 2bf0 s GLU 124 Ca -0.17 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 2bf0 s GLU 124 Cb -0.17 -2.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 2bf0 s GLU 124 CO 0.07 0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.72 2bf0 n GLY 125 N -1.54 -1.82 0.18 -3.83 0.00 -1.26 -4.57 105.19 92.35 2bf0 n GLY 125 Ca 0.00 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.27 2bf0 n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bf0 n SER 126 N 0.03 0.94 -0.16 1.61 3.41 -1.26 -4.43 113.62 113.76 2bf0 n SER 126 Ca 0.00 -0.75 -0.02 0.00 -0.26 0.00 0.00 58.87 57.84 2bf0 n SER 126 Cb 0.00 0.23 0.06 0.00 -0.26 0.00 0.00 64.21 64.24 2bf0 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bf0 h ALA 127 N 3.46 0.48 -0.12 7.33 0.00 -1.84 -0.99 119.26 127.59 2bf0 h ALA 127 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2bf0 h ALA 127 Cb 0.52 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2bf0 h ALA 127 CO 0.00 -0.38 -0.63 -0.07 0.00 0.00 0.00 179.25 178.16 2bf0 h LEU 128 N 0.12 0.52 -0.34 0.00 3.38 -1.88 -1.95 115.31 115.15 2bf0 h LEU 128 Ca 0.25 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2bf0 h LEU 128 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2bf0 h LEU 128 CO -0.42 1.02 0.05 -0.08 0.09 0.00 0.00 178.44 179.10 2bf0 h GLU 129 N 0.33 0.57 -0.81 1.13 4.57 -1.72 -1.76 114.58 116.88 2bf0 h GLU 129 Ca -0.01 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 2bf0 h GLU 129 Cb 1.18 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 2bf0 h GLU 129 CO 0.11 0.66 0.39 0.87 -1.18 0.00 0.00 179.01 179.86 2bf0 h LYS 130 N 0.40 1.17 -0.46 1.92 1.57 -1.08 -1.56 116.57 118.53 2bf0 h LYS 130 Ca 0.10 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2bf0 h LYS 130 Cb 0.37 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2bf0 h LYS 130 CO 0.01 0.91 0.17 0.82 -0.57 0.00 0.00 179.45 180.79 2bf0 h ILE 131 N 1.16 1.21 -0.16 1.86 2.04 -1.13 -0.50 117.51 122.00 2bf0 h ILE 131 Ca 0.28 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2bf0 h ILE 131 Cb 0.12 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2bf0 h ILE 131 CO -0.03 0.25 0.03 -0.08 0.00 0.00 0.00 178.15 178.31 2bf0 h GLU 132 N 0.61 0.09 -0.86 2.37 4.81 -1.08 0.18 114.58 120.70 2bf0 h GLU 132 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2bf0 h GLU 132 Cb 0.22 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2bf0 h GLU 132 CO -0.01 0.06 0.41 1.96 -0.73 0.00 0.00 179.01 180.70 2bf0 h GLN 133 N 0.09 1.23 -0.54 1.92 1.08 -1.12 0.94 115.11 118.72 2bf0 h GLN 133 Ca 0.07 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2bf0 h GLN 133 Cb 0.07 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 2bf0 h GLN 133 CO -0.10 0.94 0.35 0.35 -0.95 0.00 0.00 178.83 179.43 2bf0 h PHE 134 N 1.22 0.69 -0.10 2.96 3.57 -0.46 -2.40 116.94 122.42 2bf0 h PHE 134 Ca 0.29 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 2bf0 h PHE 134 Cb 0.11 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2bf0 h PHE 134 CO 0.02 0.44 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.16 2bf0 h LEU 135 N 0.73 0.19 -0.27 0.59 3.38 0.21 -1.41 115.31 118.74 2bf0 h LEU 135 Ca 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2bf0 h LEU 135 Cb -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2bf0 h LEU 135 CO -0.04 0.49 0.11 0.40 0.09 0.00 0.00 178.44 179.48 2bf0 h ILE 136 N 0.17 1.17 0.00 1.22 2.04 -0.47 -3.02 117.51 118.62 2bf0 h ILE 136 Ca 0.02 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2bf0 h ILE 136 Cb 0.62 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2bf0 h ILE 136 CO 0.05 0.18 0.00 0.11 0.00 0.00 0.00 178.15 178.48 2bf0 h LYS 137 N 0.28 0.00 -0.02 2.37 1.57 -1.24 -3.51 116.57 116.01 2bf0 h LYS 137 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2bf0 h LYS 137 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2bf0 h LYS 137 CO -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.87