#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aas s GLU 2 N 0.00 3.13 0.58 -1.58 -6.30 -1.26 -4.99 118.70 108.28 2aas s GLU 2 Ca 0.00 -0.15 -0.05 0.00 -2.50 0.00 0.00 54.97 52.28 2aas s GLU 2 Cb 0.00 -4.20 0.01 0.00 0.00 0.00 0.00 34.13 29.94 2aas s GLU 2 CO 0.00 -2.21 0.87 -0.08 0.02 0.00 0.00 175.26 173.86 2aas s THR 3 N 6.09 3.51 0.25 -1.70 -1.32 -1.26 -5.00 115.64 116.21 2aas s THR 3 Ca 0.38 -0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.71 2aas s THR 3 Cb -0.08 -3.39 0.23 0.00 -1.51 0.00 0.00 72.50 67.75 2aas s THR 3 CO 0.16 -0.37 1.75 0.00 -2.21 0.00 0.00 174.62 173.95 2aas h ALA 4 N -0.13 1.18 -0.65 11.08 0.00 -1.94 0.18 119.26 128.99 2aas h ALA 4 Ca -0.45 0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.64 2aas h ALA 4 Cb 1.26 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2aas h ALA 4 CO 0.60 -0.12 0.43 0.00 0.00 0.00 0.00 179.25 180.15 2aas h ALA 5 N 1.54 1.94 -0.28 0.00 0.00 -1.77 -2.22 119.26 118.47 2aas h ALA 5 Ca 0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 2aas h ALA 5 Cb 0.62 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2aas h ALA 5 CO -0.37 -0.08 -0.10 0.00 0.00 0.00 0.00 179.25 178.71 2aas h ALA 6 N 1.67 1.31 -0.29 0.00 0.00 -0.96 0.16 119.26 121.15 2aas h ALA 6 Ca 0.30 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2aas h ALA 6 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2aas h ALA 6 CO -0.09 0.46 0.04 -0.22 0.00 0.00 0.00 179.25 179.44 2aas h LYS 7 N 0.44 0.49 -0.26 0.00 3.64 -1.43 0.69 116.57 120.13 2aas h LYS 7 Ca 0.09 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2aas h LYS 7 Cb 0.44 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 2aas h LYS 7 CO 0.02 0.60 -0.11 0.35 -2.27 0.00 0.00 179.45 178.04 2aas h PHE 8 N 0.30 -0.25 -0.20 1.91 3.57 -1.18 -1.65 116.94 119.44 2aas h PHE 8 Ca 0.09 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2aas h PHE 8 Cb 0.35 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2aas h PHE 8 CO 0.02 -0.17 -0.17 0.93 -2.23 0.00 0.00 178.31 176.69 2aas h GLU 9 N -0.06 -0.17 0.22 1.11 5.08 -0.60 0.16 114.58 120.31 2aas h GLU 9 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2aas h GLU 9 Cb 0.27 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2aas h GLU 9 CO -0.31 -0.12 -0.22 -0.09 -1.00 0.00 0.00 179.01 177.28 2aas h ARG 10 N -0.18 -0.45 -0.21 2.33 2.43 -0.67 -0.95 114.38 116.68 2aas h ARG 10 Ca 0.12 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 2aas h ARG 10 Cb 0.36 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2aas h ARG 10 CO -0.31 -0.30 -0.42 1.96 -1.51 0.00 0.00 179.97 179.39 2aas h GLN 11 N -0.47 0.49 0.00 0.20 4.20 -1.11 -3.42 115.11 115.00 2aas h GLN 11 Ca -0.00 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 2aas h GLN 11 Cb 0.44 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2aas h GLN 11 CO -0.05 0.82 -1.23 0.72 -0.67 0.00 0.00 178.83 178.42 2aas n HIS 12 N -4.02 0.00 -2.53 2.96 8.25 0.55 -4.47 115.22 115.95 2aas n HIS 12 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 2aas n HIS 12 Cb 0.52 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 2aas n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2aas s MET 13 N -2.08 4.49 -0.17 -0.41 -1.94 -0.38 0.38 119.30 119.19 2aas s MET 13 Ca -0.06 1.64 0.19 0.00 -1.71 0.00 0.00 55.69 55.76 2aas s MET 13 Cb 0.02 -3.39 0.46 0.00 2.01 0.00 0.00 34.83 33.93 2aas s MET 13 CO 0.08 -0.17 1.16 -3.47 -0.01 0.00 0.00 175.02 172.62 2aas n ASP 14 N 3.85 1.95 -0.00 3.03 -0.08 -0.35 -4.89 116.55 120.06 2aas n ASP 14 Ca 0.08 -2.61 0.22 0.00 -1.51 0.00 0.00 54.79 50.96 2aas n ASP 14 Cb 0.48 -0.40 0.72 0.00 2.34 0.00 0.00 41.12 44.25 2aas n ASP 14 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2aas h SER 15 N 1.73 0.00 -0.79 1.67 0.87 -1.75 0.41 113.55 115.69 2aas h SER 15 Ca -0.06 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.68 2aas h SER 15 Cb 1.48 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.39 2aas h SER 15 CO 0.22 0.00 0.53 0.77 -0.53 0.00 0.00 176.83 177.82 2aas h SER 16 N 0.00 0.30 -4.41 6.23 4.64 -1.91 -3.43 113.55 114.96 2aas h SER 16 Ca 0.26 0.02 -0.61 0.00 -0.47 0.00 0.00 61.79 61.00 2aas h SER 16 Cb 1.13 -0.03 -0.29 0.00 -0.31 0.00 0.00 62.40 62.90 2aas h SER 16 CO -0.00 0.14 -0.85 0.42 -0.87 0.00 0.00 176.83 175.66 2aas s THR 17 N -5.31 1.65 0.02 2.95 -4.23 0.13 -5.05 115.64 105.80 2aas s THR 17 Ca -0.07 -0.93 0.12 0.00 -1.18 0.00 0.00 61.69 59.62 2aas s THR 17 Cb 0.21 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 2aas s THR 17 CO 0.77 0.43 1.42 0.77 -0.54 0.00 0.00 174.62 177.47 2aas h SER 18 N 5.52 0.00 -4.86 3.99 4.64 -1.83 -3.44 113.55 117.57 2aas h SER 18 Ca -0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2aas h SER 18 Cb 1.14 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 2aas h SER 18 CO 0.47 0.69 0.28 0.00 -0.87 0.00 0.00 176.83 177.41 2aas s ALA 19 N -2.98 -1.72 -0.55 5.18 0.00 -1.26 -4.81 121.76 115.62 2aas s ALA 19 Ca 0.02 0.93 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 2aas s ALA 19 Cb 0.09 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2aas s ALA 19 CO 0.77 -0.59 1.84 0.00 0.00 0.00 0.00 175.76 177.78 2aas s ALA 20 N -2.64 2.31 -0.32 0.00 0.00 -1.26 -4.88 121.76 114.98 2aas s ALA 20 Ca -0.02 -0.47 0.22 0.00 0.00 0.00 0.00 51.96 51.69 2aas s ALA 20 Cb -0.01 -4.24 1.08 0.00 0.00 0.00 0.00 23.12 19.95 2aas s ALA 20 CO -0.04 -3.63 1.66 -1.13 0.00 0.00 0.00 175.76 172.62 2aas n SER 21 N 12.23 0.59 -3.69 0.00 3.41 -1.26 -4.82 113.62 120.08 2aas n SER 21 Ca 0.21 0.72 -0.11 0.00 -0.26 0.00 0.00 58.87 59.43 2aas n SER 21 Cb 0.51 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 2aas n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2aas s SER 22 N -4.08 -0.21 0.65 4.04 1.04 -1.26 -5.03 113.70 108.85 2aas s SER 22 Ca 0.00 -0.19 0.27 0.00 0.48 0.00 0.00 55.95 56.52 2aas s SER 22 Cb 0.07 0.42 1.48 0.00 0.10 0.00 0.00 66.02 68.09 2aas s SER 22 CO 0.26 -0.72 1.84 0.77 0.98 0.00 0.00 173.24 176.38 2aas h SER 23 N 2.82 0.00 0.00 7.02 4.64 -1.87 -1.97 113.55 124.18 2aas h SER 23 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2aas h SER 23 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2aas h SER 23 CO 0.46 0.00 -0.07 0.59 -0.87 0.00 0.00 176.83 176.94 2aas n ASN 24 N -3.02 1.89 -0.20 4.97 4.13 -1.26 -1.64 115.26 120.12 2aas n ASN 24 Ca 0.00 -2.70 -0.00 0.00 1.68 0.00 0.00 54.58 53.56 2aas n ASN 24 Cb 0.49 -0.32 0.07 0.00 -1.54 0.00 0.00 39.78 38.48 2aas n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2aas h TYR 25 N 0.00 -0.24 -0.89 3.10 3.20 -1.69 -1.58 116.97 118.87 2aas h TYR 25 Ca 0.00 0.05 0.25 0.00 3.14 0.00 0.00 58.73 62.17 2aas h TYR 25 Cb 0.98 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 2aas h TYR 25 CO 0.01 -0.24 0.63 0.00 -1.64 0.00 0.00 178.16 176.93 2aas h ASN 27 N 0.05 -1.37 -0.04 0.00 4.21 -1.53 0.23 115.58 117.14 2aas h ASN 27 Ca 0.43 0.20 -0.19 0.00 1.21 0.00 0.00 56.30 57.95 2aas h ASN 27 Cb 1.63 0.59 0.01 0.00 -1.12 0.00 0.00 38.32 39.43 2aas h ASN 27 CO -0.03 -0.20 -0.71 1.56 -1.29 0.00 0.00 177.43 176.75 2aas h GLN 28 N -0.11 0.54 -0.70 0.81 7.50 -1.74 -3.32 115.11 118.09 2aas h GLN 28 Ca 0.08 -0.54 -0.02 0.00 0.50 0.00 0.00 58.65 58.67 2aas h GLN 28 Cb 0.33 0.14 -0.03 0.00 0.05 0.00 0.00 27.48 27.97 2aas h GLN 28 CO -0.53 1.17 0.36 0.52 -1.50 0.00 0.00 178.83 178.85 2aas h MET 29 N 0.13 1.00 -0.77 1.46 2.86 -1.33 -2.24 114.93 116.03 2aas h MET 29 Ca -0.08 -0.13 0.11 0.00 -2.06 0.00 0.00 59.70 57.54 2aas h MET 29 Cb 1.39 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.81 2aas h MET 29 CO 0.14 0.77 0.51 0.52 1.06 0.00 0.00 176.91 179.90 2aas h MET 30 N 0.97 0.61 -0.03 1.72 2.86 -0.67 -2.75 114.93 117.64 2aas h MET 30 Ca 0.24 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2aas h MET 30 Cb 0.08 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2aas h MET 30 CO -0.04 0.40 -0.06 0.87 1.06 0.00 0.00 176.91 179.15 2aas h LYS 31 N 0.63 0.10 -0.91 1.72 1.57 -1.52 -3.09 116.57 115.07 2aas h LYS 31 Ca 0.36 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 59.25 2aas h LYS 31 Cb 0.56 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.77 2aas h LYS 31 CO -0.14 0.62 0.50 0.77 -0.57 0.00 0.00 179.45 180.64 2aas h SER 32 N -0.41 0.61 -0.01 0.86 0.02 -1.11 0.26 113.55 113.76 2aas h SER 32 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2aas h SER 32 Cb 0.62 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2aas h SER 32 CO 0.01 0.23 0.00 0.54 -1.14 0.00 0.00 176.83 176.47 2aas n ARG 33 N -4.85 1.08 -0.34 3.45 5.12 -1.20 -4.85 116.66 115.08 2aas n ARG 33 Ca 0.20 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2aas n ARG 33 Cb 0.50 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 2aas n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2aas n ASN 34 N -0.07 0.00 -0.34 0.55 5.15 0.08 -4.82 115.26 115.81 2aas n ASN 34 Ca 0.01 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 2aas n ASN 34 Cb 0.22 -1.54 0.17 0.00 -0.53 0.00 0.00 39.78 38.11 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2aas h LEU 35 N 0.00 0.91 -2.13 1.20 3.38 -1.69 -2.25 115.31 114.74 2aas h LEU 35 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2aas h LEU 35 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2aas h LEU 35 CO 0.00 0.56 0.00 0.35 0.09 0.00 0.00 178.44 179.44 2aas n THR 36 N -4.59 0.44 1.33 0.22 -2.24 -1.18 -4.43 114.28 103.83 2aas n THR 36 Ca 0.15 -0.72 0.13 0.00 -2.27 0.00 0.00 64.05 61.34 2aas n THR 36 Cb 0.22 0.96 0.69 0.00 -2.10 0.00 0.00 70.33 70.10 2aas n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aas n LYS 37 N 0.86 0.48 -0.03 -0.78 5.02 -0.84 -3.78 118.16 119.09 2aas n LYS 37 Ca 0.12 0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.37 2aas n LYS 37 Cb 0.43 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 2aas n LYS 37 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2aas n ASP 38 N -1.22 1.10 -4.06 4.39 9.92 -1.26 -5.03 116.55 120.39 2aas n ASP 38 Ca 0.14 0.17 -0.07 0.00 -0.53 0.00 0.00 54.79 54.50 2aas n ASP 38 Cb 0.18 -0.40 -0.10 0.00 -0.64 0.00 0.00 41.12 40.16 2aas n ASP 38 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2aas s ARG 39 N -2.27 0.63 -0.62 -1.24 0.52 -1.25 -5.09 118.95 109.64 2aas s ARG 39 Ca -0.13 -1.17 -0.25 0.00 -0.52 0.00 0.00 55.73 53.66 2aas s ARG 39 Cb 0.04 0.22 0.04 0.00 0.52 0.00 0.00 34.95 35.77 2aas s ARG 39 CO 0.17 -0.13 1.07 0.00 0.02 0.00 0.00 175.30 176.44 2aas s LYS 41 N 4.57 4.34 0.17 0.00 2.20 -1.26 -4.97 119.74 124.79 2aas s LYS 41 Ca 0.33 2.04 -0.17 0.00 -0.36 0.00 0.00 55.97 57.80 2aas s LYS 41 Cb -0.11 -3.25 0.10 0.00 -1.51 0.00 0.00 37.83 33.06 2aas s LYS 41 CO 0.18 -0.39 1.66 -1.35 -0.36 0.00 0.00 175.35 175.09 2aas h PRO 42 N 6.58 -0.03 -3.36 4.03 0.11 -1.95 -3.42 132.00 133.97 2aas h PRO 42 Ca -0.42 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 2aas h PRO 42 Cb 1.21 0.01 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 2aas h PRO 42 CO 0.85 -0.02 -0.51 0.54 -0.21 0.00 0.00 178.00 178.64 2aas s VAL 43 N -6.20 0.02 0.23 3.15 0.11 -1.26 -0.53 120.40 115.91 2aas s VAL 43 Ca -0.14 -0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 58.57 2aas s VAL 43 Cb 0.15 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.75 2aas s VAL 43 CO 0.71 -0.08 0.64 0.21 -3.33 0.00 0.00 175.10 173.25 2aas s ASN 44 N -0.20 -0.34 -0.05 3.54 2.47 -0.25 -5.03 114.94 115.08 2aas s ASN 44 Ca -0.03 -0.44 0.02 0.00 0.42 0.00 0.00 52.86 52.84 2aas s ASN 44 Cb -0.02 0.66 0.01 0.00 -1.45 0.00 0.00 41.25 40.45 2aas s ASN 44 CO 0.01 -1.18 -0.10 -0.89 -3.72 0.00 0.00 177.10 171.21 2aas s THR 45 N -3.87 0.95 0.07 -5.21 2.01 -1.26 -0.31 115.64 108.02 2aas s THR 45 Ca 0.09 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 2aas s THR 45 Cb -0.03 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2aas s THR 45 CO -0.00 0.31 0.25 -0.36 -0.69 0.00 0.00 174.62 174.12 2aas s PHE 46 N 0.54 3.52 -0.26 4.92 0.08 0.14 -4.13 117.98 122.78 2aas s PHE 46 Ca -0.10 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.32 2aas s PHE 46 Cb -0.13 -1.85 0.07 0.00 -0.57 0.00 0.00 43.02 40.54 2aas s PHE 46 CO 0.02 0.56 -0.03 0.08 -0.10 0.00 0.00 175.22 175.75 2aas s VAL 47 N -1.50 1.67 -1.08 -0.44 1.01 0.16 0.43 120.40 120.65 2aas s VAL 47 Ca 0.35 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 2aas s VAL 47 Cb -0.13 -1.99 -0.11 0.00 0.00 0.00 0.00 36.38 34.15 2aas s VAL 47 CO 0.25 -0.23 3.09 1.41 0.00 0.00 0.00 175.10 179.63 2aas n HIS 48 N 4.59 1.70 -4.18 5.22 8.25 0.24 -1.22 115.22 129.82 2aas n HIS 48 Ca -0.09 -2.56 -0.11 0.00 -0.26 0.00 0.00 57.72 54.70 2aas n HIS 48 Cb 0.43 -2.13 -0.10 0.00 1.12 0.00 0.00 29.99 29.32 2aas n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2aas s GLU 49 N 1.33 1.06 0.65 -0.41 0.41 -1.26 -4.70 118.70 115.78 2aas s GLU 49 Ca 0.67 -1.53 -0.11 0.00 -0.41 0.00 0.00 54.97 53.59 2aas s GLU 49 Cb 0.23 0.17 -0.02 0.00 -1.78 0.00 0.00 34.13 32.73 2aas s GLU 49 CO -0.05 -0.29 1.04 -1.54 -0.49 0.00 0.00 175.26 173.93 2aas s SER 50 N -3.11 5.89 0.22 -0.19 1.04 -1.26 -3.30 113.70 112.99 2aas s SER 50 Ca 0.30 1.51 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 2aas s SER 50 Cb 0.07 -2.48 0.29 0.00 0.10 0.00 0.00 66.02 64.01 2aas s SER 50 CO 0.06 -1.10 1.79 0.25 0.98 0.00 0.00 173.24 175.23 2aas h LEU 51 N -0.44 0.52 -0.79 2.42 5.85 -2.00 -1.88 115.31 118.99 2aas h LEU 51 Ca -0.44 0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.49 2aas h LEU 51 Cb 1.20 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 2aas h LEU 51 CO 0.60 0.32 0.28 0.00 -0.34 0.00 0.00 178.44 179.30 2aas h ALA 52 N 1.39 1.12 0.00 1.25 0.00 -1.99 0.13 119.26 121.16 2aas h ALA 52 Ca 0.33 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2aas h ALA 52 Cb 0.28 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2aas h ALA 52 CO -0.23 -0.28 -0.12 -0.44 0.00 0.00 0.00 179.25 178.18 2aas h ASP 53 N 0.37 0.00 0.01 0.00 3.32 -1.74 -2.36 116.42 116.02 2aas h ASP 53 Ca 0.45 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.13 2aas h ASP 53 Cb 0.76 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.24 2aas h ASP 53 CO -0.47 0.12 -2.41 0.52 -1.72 0.00 0.00 179.24 175.28 2aas n VAL 54 N -3.67 1.43 -0.32 -1.35 0.31 0.23 -3.26 118.33 111.69 2aas n VAL 54 Ca -0.02 -0.77 0.22 0.00 -0.01 0.00 0.00 64.34 63.76 2aas n VAL 54 Cb 0.24 -0.77 0.44 0.00 -0.91 0.00 0.00 33.84 32.85 2aas n VAL 54 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2aas h GLN 55 N 0.00 0.21 0.00 5.55 4.20 -0.92 -1.11 115.11 123.03 2aas h GLN 55 Ca -0.55 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.14 2aas h GLN 55 Cb 2.14 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.87 2aas h GLN 55 CO -0.01 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 2aas n ALA 56 N -2.44 1.30 0.00 3.87 0.00 -0.89 -1.67 120.51 120.68 2aas n ALA 56 Ca 0.30 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 2aas n ALA 56 Cb 0.95 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 2aas n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2aas h VAL 57 N 0.00 0.95 -0.06 0.00 2.07 -1.27 -3.33 116.25 114.61 2aas h VAL 57 Ca 0.00 -2.74 0.02 0.00 0.82 0.00 0.00 66.70 64.80 2aas h VAL 57 Cb 0.14 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2aas h VAL 57 CO 0.00 0.66 0.15 0.00 0.02 0.00 0.00 177.57 178.39 2aas n SER 59 N -3.36 3.93 0.00 0.00 3.41 -1.25 -4.85 113.62 111.51 2aas n SER 59 Ca -0.01 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 2aas n SER 59 Cb 0.23 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aas n GLN 60 N -0.48 0.00 -4.14 4.33 6.02 -0.65 -5.05 117.38 117.41 2aas n GLN 60 Ca 0.23 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 57.02 2aas n GLN 60 Cb 0.93 -0.01 -0.16 0.00 1.02 0.00 0.00 30.24 32.02 2aas n GLN 60 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2aas s LYS 61 N 0.00 0.79 0.21 -1.09 -2.85 -0.65 -5.00 119.74 111.15 2aas s LYS 61 Ca 0.00 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 2aas s LYS 61 Cb 0.00 -0.81 -0.08 0.00 -2.06 0.00 0.00 37.83 34.87 2aas s LYS 61 CO 0.00 -0.09 1.01 1.21 0.10 0.00 0.00 175.35 177.59 2aas s ASN 62 N 0.93 7.45 0.26 0.03 3.84 -1.26 -0.40 114.94 125.79 2aas s ASN 62 Ca -0.11 2.02 0.03 0.00 0.21 0.00 0.00 52.86 55.00 2aas s ASN 62 Cb -0.14 -2.61 -0.04 0.00 -0.55 0.00 0.00 41.25 37.91 2aas s ASN 62 CO -0.00 -0.03 0.19 0.68 -2.79 0.00 0.00 177.10 175.14 2aas s VAL 63 N -0.72 0.04 -0.13 -5.21 -7.23 0.10 -4.89 120.40 102.35 2aas s VAL 63 Ca 0.45 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.52 2aas s VAL 63 Cb -0.27 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 2aas s VAL 63 CO 0.34 0.00 0.20 0.00 -0.31 0.00 0.00 175.10 175.33 2aas s ALA 64 N -3.83 3.76 0.66 1.32 0.00 -1.26 -2.62 121.76 119.79 2aas s ALA 64 Ca 0.39 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 2aas s ALA 64 Cb 0.05 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2aas s ALA 64 CO 0.19 0.39 1.10 0.00 0.00 0.00 0.00 175.76 177.44 2aas h LYS 66 N -0.05 0.00 0.00 0.00 6.56 -1.97 0.24 116.57 121.35 2aas h LYS 66 Ca -0.46 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.09 2aas h LYS 66 Cb 1.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 2aas h LYS 66 CO 0.54 0.00 -0.20 -2.95 -2.06 0.00 0.00 179.45 174.78 2aas h ASN 67 N 0.00 0.00 0.00 0.86 -1.07 -2.05 -3.47 115.58 109.85 2aas h ASN 67 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.63 2aas h ASN 67 Cb 1.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.39 2aas h ASN 67 CO -0.00 0.16 0.00 0.61 0.07 0.00 0.00 177.43 178.27 2aas n GLY 68 N 1.14 0.96 3.73 9.14 0.00 0.85 -5.11 105.19 115.90 2aas n GLY 68 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2aas n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aas s GLN 69 N -0.10 4.38 -0.07 1.61 -0.21 -1.23 -4.73 119.66 119.31 2aas s GLN 69 Ca 0.00 2.01 0.04 0.00 0.02 0.00 0.00 55.36 57.44 2aas s GLN 69 Cb 0.00 -3.23 0.25 0.00 1.00 0.00 0.00 33.01 31.03 2aas s GLN 69 CO 0.00 -0.29 0.88 0.25 -2.12 0.00 0.00 175.29 174.01 2aas n THR 70 N 3.14 0.82 -1.88 -0.19 -2.24 -1.26 -0.01 114.28 112.66 2aas n THR 70 Ca 0.08 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 2aas n THR 70 Cb 0.43 -0.43 0.08 0.00 -2.10 0.00 0.00 70.33 68.32 2aas n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2aas n ASN 71 N 0.19 3.88 -4.60 3.42 6.94 -1.26 -4.70 115.26 119.13 2aas n ASN 71 Ca 0.08 -3.80 -0.29 0.00 -0.02 0.00 0.00 54.58 50.55 2aas n ASN 71 Cb 0.53 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.45 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s TYR 73 N -1.37 0.06 -0.07 0.00 1.51 -0.54 -0.72 117.35 116.22 2aas s TYR 73 Ca 0.23 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2aas s TYR 73 Cb -0.11 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.67 2aas s TYR 73 CO 0.15 -0.07 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.31 2aas s GLN 74 N -0.46 2.75 0.38 -0.62 0.74 0.47 -2.06 119.66 120.85 2aas s GLN 74 Ca -0.05 -0.55 -0.25 0.00 0.05 0.00 0.00 55.36 54.56 2aas s GLN 74 Cb -0.03 -2.58 -0.09 0.00 1.10 0.00 0.00 33.01 31.40 2aas s GLN 74 CO -0.00 0.66 1.03 -1.54 -0.55 0.00 0.00 175.29 174.88 2aas s SER 75 N -0.80 6.92 0.50 6.67 1.04 -1.18 -1.64 113.70 125.20 2aas s SER 75 Ca 0.12 1.99 0.27 0.00 0.48 0.00 0.00 55.95 58.82 2aas s SER 75 Cb -0.11 -2.58 1.28 0.00 0.10 0.00 0.00 66.02 64.70 2aas s SER 75 CO 0.01 -0.37 1.98 1.88 0.98 0.00 0.00 173.24 177.72 2aas h TYR 76 N 2.70 0.00 -3.33 5.02 0.05 -1.94 -3.43 116.97 116.03 2aas h TYR 76 Ca -0.48 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.65 2aas h TYR 76 Cb 1.21 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.78 2aas h TYR 76 CO 0.59 0.15 -0.78 0.45 -1.05 0.00 0.00 178.16 177.52 2aas s SER 77 N -6.10 3.91 0.24 3.88 0.15 -1.26 -5.10 113.70 109.41 2aas s SER 77 Ca -0.01 -0.64 -0.30 0.00 0.70 0.00 0.00 55.95 55.70 2aas s SER 77 Cb 0.12 -0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 63.80 2aas s SER 77 CO 0.60 0.14 1.13 0.42 1.20 0.00 0.00 173.24 176.73 2aas s THR 78 N -1.48 3.55 0.15 6.45 -4.23 -1.26 -4.64 115.64 114.18 2aas s THR 78 Ca 0.21 1.44 0.11 0.00 -1.18 0.00 0.00 61.69 62.27 2aas s THR 78 Cb -0.09 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2aas s THR 78 CO 0.12 0.29 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.22 2aas s MET 79 N -0.93 1.54 -0.52 3.99 -1.94 0.95 -4.70 119.30 117.70 2aas s MET 79 Ca 0.48 -1.37 -0.28 0.00 -1.71 0.00 0.00 55.69 52.81 2aas s MET 79 Cb -0.32 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.58 2aas s MET 79 CO 0.39 0.44 1.58 0.45 -0.01 0.00 0.00 175.02 177.87 2aas s SER 80 N -2.31 5.91 0.06 3.03 0.15 -1.26 -1.12 113.70 118.15 2aas s SER 80 Ca 0.17 0.52 0.09 0.00 0.70 0.00 0.00 55.95 57.43 2aas s SER 80 Cb -0.09 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.08 -1.84 -0.24 0.27 1.20 0.00 0.00 173.24 172.72 2aas s ILE 81 N 6.84 2.37 -0.32 6.45 -5.25 0.51 -0.60 121.20 131.20 2aas s ILE 81 Ca 0.61 -1.38 0.03 0.00 -0.99 0.00 0.00 60.65 58.93 2aas s ILE 81 Cb -0.13 -1.97 0.09 0.00 2.95 0.00 0.00 42.46 43.40 2aas s ILE 81 CO 0.26 0.32 0.02 -0.89 -1.79 0.00 0.00 174.94 172.86 2aas s THR 82 N -0.88 2.17 -0.04 8.37 2.01 0.17 -1.15 115.64 126.29 2aas s THR 82 Ca 0.13 -2.14 -0.30 0.00 0.31 0.00 0.00 61.69 59.69 2aas s THR 82 Cb -0.10 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2aas s THR 82 CO 0.04 -0.48 1.11 -0.62 -0.69 0.00 0.00 174.62 173.97 2aas s ASP 83 N 0.99 7.17 -0.31 3.53 2.15 0.27 0.23 116.67 130.69 2aas s ASP 83 Ca 0.07 1.74 -0.01 0.00 0.43 0.00 0.00 52.55 54.78 2aas s ASP 83 Cb -0.19 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 39.93 2aas s ASP 83 CO -0.08 -0.47 0.01 0.00 -0.17 0.00 0.00 175.17 174.46 2aas s ARG 85 N 1.19 2.51 0.38 0.00 3.52 -0.55 -1.09 118.95 124.90 2aas s ARG 85 Ca -0.03 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.58 2aas s ARG 85 Cb -0.20 -1.96 -0.10 0.00 -1.56 0.00 0.00 34.95 31.13 2aas s ARG 85 CO -0.03 0.15 1.38 -2.00 -0.81 0.00 0.00 175.30 173.99 2aas s GLU 86 N 0.37 4.10 0.41 5.12 2.12 0.31 0.04 118.70 131.17 2aas s GLU 86 Ca -0.15 2.34 0.05 0.00 0.36 0.00 0.00 54.97 57.56 2aas s GLU 86 Cb -0.17 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2aas s GLU 86 CO 0.06 -0.45 0.58 0.95 -0.54 0.00 0.00 175.26 175.87 2aas s THR 87 N -1.17 3.53 0.48 -1.70 -4.23 -0.09 -4.81 115.64 107.64 2aas s THR 87 Ca 0.54 -0.85 0.14 0.00 -1.18 0.00 0.00 61.69 60.34 2aas s THR 87 Cb -0.42 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 70.41 2aas s THR 87 CO 0.55 -0.12 2.07 1.23 -0.54 0.00 0.00 174.62 177.81 2aas h GLY 88 N 0.60 0.05 -3.63 3.99 0.00 -1.97 -3.20 103.07 98.91 2aas h GLY 88 Ca -0.44 -0.02 -0.35 0.00 0.00 0.00 0.00 47.33 46.52 2aas h GLY 88 CO 0.51 0.02 0.42 -1.26 0.00 0.00 0.00 176.54 176.23 2aas n SER 89 N -4.44 6.50 -4.20 0.19 2.88 -1.26 -4.81 113.62 108.48 2aas n SER 89 Ca -0.02 -3.10 -0.41 0.00 -1.33 0.00 0.00 58.87 54.01 2aas n SER 89 Cb 0.16 -1.08 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2aas s SER 90 N 0.17 5.90 -0.57 -3.46 0.15 -1.21 -4.31 113.70 110.37 2aas s SER 90 Ca 0.36 -2.70 -0.03 0.00 0.70 0.00 0.00 55.95 54.28 2aas s SER 90 Cb 0.27 -2.01 0.15 0.00 -1.71 0.00 0.00 66.02 62.71 2aas s SER 90 CO -0.03 -0.48 0.38 -1.59 1.20 0.00 0.00 173.24 172.72 2aas s LYS 91 N 0.16 2.43 -0.15 5.44 0.00 -0.48 -4.80 119.74 122.34 2aas s LYS 91 Ca 0.16 -2.35 -0.37 0.00 0.00 0.00 0.00 55.97 53.41 2aas s LYS 91 Cb -0.17 -3.70 -0.18 0.00 0.00 0.00 0.00 37.83 33.79 2aas s LYS 91 CO -0.05 -1.15 1.10 0.98 0.00 0.00 0.00 175.35 176.23 2aas n TYR 92 N 3.77 0.89 1.60 1.78 9.36 -1.26 -0.09 117.16 133.21 2aas n TYR 92 Ca 0.05 0.96 0.15 0.00 3.32 0.00 0.00 57.90 62.38 2aas n TYR 92 Cb 0.39 -1.88 0.77 0.00 -0.63 0.00 0.00 39.34 37.98 2aas n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2aas n PRO 93 N 2.06 0.72 -2.82 2.98 -0.04 -1.26 -4.98 135.00 131.66 2aas n PRO 93 Ca 0.21 -0.11 -0.44 0.00 -0.04 0.00 0.00 63.50 63.13 2aas n PRO 93 Cb 0.03 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 2aas n PRO 93 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2aas n ASN 94 N -1.05 5.34 -4.72 3.54 5.15 0.87 -4.89 115.26 119.50 2aas n ASN 94 Ca 0.17 -3.07 -0.42 0.00 -0.60 0.00 0.00 54.58 50.67 2aas n ASN 94 Cb 0.22 -1.49 -0.03 0.00 -0.53 0.00 0.00 39.78 37.94 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2aas s ALA 96 N 0.72 2.60 0.15 0.00 0.00 -1.26 -4.78 121.76 119.20 2aas s ALA 96 Ca 0.55 -1.15 0.11 0.00 0.00 0.00 0.00 51.96 51.47 2aas s ALA 96 Cb -0.28 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2aas s ALA 96 CO 0.30 -0.30 -0.25 0.71 0.00 0.00 0.00 175.76 176.22 2aas s TYR 97 N 1.25 2.27 -0.13 0.00 1.51 -1.26 -0.91 117.35 120.07 2aas s TYR 97 Ca 0.03 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 55.65 2aas s TYR 97 Cb -0.14 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 2aas s TYR 97 CO -0.05 0.39 0.08 -1.59 -1.11 0.00 0.00 175.55 173.27 2aas s LYS 98 N -2.30 3.52 -0.10 -0.62 -2.85 0.11 -4.60 119.74 112.89 2aas s LYS 98 Ca 0.16 -0.28 -0.00 0.00 -1.00 0.00 0.00 55.97 54.85 2aas s LYS 98 Cb -0.09 -3.10 -0.03 0.00 -2.06 0.00 0.00 37.83 32.56 2aas s LYS 98 CO 0.07 0.58 -0.08 0.99 0.10 0.00 0.00 175.35 177.01 2aas s THR 99 N -0.49 3.52 -0.22 3.79 2.01 -0.65 -1.48 115.64 122.11 2aas s THR 99 Ca 0.11 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.59 2aas s THR 99 Cb -0.12 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 69.96 2aas s THR 99 CO 0.02 0.56 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.48 2aas s THR 100 N -0.26 2.35 -0.31 -0.82 2.01 0.37 -4.79 115.64 114.18 2aas s THR 100 Ca 0.03 -1.12 -0.13 0.00 0.31 0.00 0.00 61.69 60.78 2aas s THR 100 Cb -0.13 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2aas s THR 100 CO 0.03 0.30 0.26 -1.58 -0.69 0.00 0.00 174.62 172.93 2aas s GLN 101 N 1.26 3.73 -0.04 4.92 2.00 -1.26 -0.57 119.66 129.70 2aas s GLN 101 Ca 0.00 -0.42 -0.10 0.00 -2.00 0.00 0.00 55.36 52.84 2aas s GLN 101 Cb -0.16 -3.74 0.02 0.00 0.80 0.00 0.00 33.01 29.93 2aas s GLN 101 CO -0.08 -0.34 0.24 0.00 -0.50 0.00 0.00 175.29 174.60 2aas s ALA 102 N 1.82 -0.58 -0.53 1.58 0.00 -0.30 -5.04 121.76 118.72 2aas s ALA 102 Ca 0.08 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 2aas s ALA 102 Cb -0.17 -0.10 0.08 0.00 0.00 0.00 0.00 23.12 22.94 2aas s ALA 102 CO 0.11 -0.19 0.58 0.54 0.00 0.00 0.00 175.76 176.80 2aas s ASN 103 N -0.80 6.19 0.15 0.00 4.22 -1.26 -0.37 114.94 123.07 2aas s ASN 103 Ca -0.09 -1.26 0.04 0.00 -2.14 0.00 0.00 52.86 49.41 2aas s ASN 103 Cb -0.05 -2.26 -0.04 0.00 1.28 0.00 0.00 41.25 40.18 2aas s ASN 103 CO 0.02 -0.90 -0.10 -0.54 -2.04 0.00 0.00 177.10 173.54 2aas s LYS 104 N 2.31 1.05 0.24 3.55 1.02 -0.28 -4.71 119.74 122.92 2aas s LYS 104 Ca 0.10 -1.45 -0.23 0.00 0.02 0.00 0.00 55.97 54.41 2aas s LYS 104 Cb -0.23 -0.61 -0.09 0.00 -0.52 0.00 0.00 37.83 36.38 2aas s LYS 104 CO 0.08 0.07 0.81 -1.01 -0.92 0.00 0.00 175.35 174.38 2aas s HIS 105 N -3.34 3.74 -0.06 3.18 3.76 0.07 -0.03 115.29 122.61 2aas s HIS 105 Ca 0.17 1.59 0.04 0.00 -0.15 0.00 0.00 55.06 56.70 2aas s HIS 105 Cb 0.03 -2.76 -0.02 0.00 1.11 0.00 0.00 32.58 30.93 2aas s HIS 105 CO 0.00 0.35 -0.16 0.96 -0.85 0.00 0.00 174.74 175.04 2aas s ILE 106 N -1.45 2.85 -0.41 0.60 -4.36 -1.26 -0.22 121.20 116.95 2aas s ILE 106 Ca 0.43 -0.79 -0.12 0.00 -0.26 0.00 0.00 60.65 59.91 2aas s ILE 106 Cb -0.19 -2.11 0.04 0.00 1.25 0.00 0.00 42.46 41.45 2aas s ILE 106 CO 0.24 0.58 0.27 -0.63 0.24 0.00 0.00 174.94 175.63 2aas s ILE 107 N -0.47 4.75 -0.12 8.37 1.09 0.45 -3.12 121.20 132.16 2aas s ILE 107 Ca 0.06 -0.97 -0.04 0.00 -1.10 0.00 0.00 60.65 58.60 2aas s ILE 107 Cb -0.12 -3.73 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 2aas s ILE 107 CO 0.02 -0.37 0.01 0.68 -0.10 0.00 0.00 174.94 175.18 2aas s VAL 108 N 1.57 4.38 -0.32 2.92 -7.23 -0.88 -1.22 120.40 119.62 2aas s VAL 108 Ca 0.03 -0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 59.72 2aas s VAL 108 Cb -0.21 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.86 2aas s VAL 108 CO 0.06 0.56 0.98 0.00 -0.31 0.00 0.00 175.10 176.39 2aas s ALA 109 N -0.40 3.50 -0.02 1.32 0.00 0.62 -1.47 121.76 125.31 2aas s ALA 109 Ca 0.08 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2aas s ALA 109 Cb -0.12 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2aas s ALA 109 CO 0.02 -1.41 -0.17 0.00 0.00 0.00 0.00 175.76 174.20 2aas s GLU 111 N -0.93 1.48 0.00 0.00 2.02 -0.76 -4.89 118.70 115.62 2aas s GLU 111 Ca 0.12 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2aas s GLU 111 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.61 2aas s GLU 111 CO 0.02 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.03 2aas n GLY 112 N -0.50 -2.90 2.98 -1.39 0.00 -1.26 -1.37 105.19 100.75 2aas n GLY 112 Ca -0.05 -2.15 -0.05 0.00 0.00 0.00 0.00 46.02 43.76 2aas n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aas s ASN 113 N -0.83 -0.17 0.57 1.61 2.47 -1.26 -3.81 114.94 113.52 2aas s ASN 113 Ca 0.00 0.10 -0.18 0.00 0.42 0.00 0.00 52.86 53.20 2aas s ASN 113 Cb 0.00 1.38 -0.05 0.00 -1.45 0.00 0.00 41.25 41.14 2aas s ASN 113 CO 0.00 -0.31 1.11 -2.16 -3.72 0.00 0.00 177.10 172.01 2aas s PRO 114 N 2.63 3.29 0.15 0.43 0.04 -1.26 -5.08 135.00 135.20 2aas s PRO 114 Ca 0.13 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 2aas s PRO 114 Cb -0.14 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 2aas s PRO 114 CO -0.23 -0.88 1.66 -0.47 0.04 0.00 0.00 177.00 177.12 2aas s TYR 115 N -1.98 2.76 0.13 0.56 5.04 -1.25 -5.01 117.35 117.60 2aas s TYR 115 Ca 0.70 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 2aas s TYR 115 Cb -0.21 -4.03 -0.04 0.00 0.35 0.00 0.00 41.96 38.03 2aas s TYR 115 CO 0.30 -3.95 0.01 0.14 -1.34 0.00 0.00 175.55 170.71 2aas s VAL 116 N 1.68 0.42 0.02 3.14 -7.23 -0.47 -4.80 120.40 113.17 2aas s VAL 116 Ca 0.74 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 2aas s VAL 116 Cb -0.45 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 2aas s VAL 116 CO 0.32 -0.58 1.23 -2.16 -0.31 0.00 0.00 175.10 173.60 2aas s PRO 117 N -3.95 4.39 -0.15 4.82 0.04 -1.26 -1.82 135.00 137.06 2aas s PRO 117 Ca 0.20 1.78 0.09 0.00 0.04 0.00 0.00 61.00 63.11 2aas s PRO 117 Cb 0.07 -3.43 -0.15 0.00 0.04 0.00 0.00 34.50 31.03 2aas s PRO 117 CO 0.00 -0.35 -0.02 1.33 0.04 0.00 0.00 177.00 178.00 2aas n VAL 118 N 4.20 0.96 -3.91 -0.36 0.24 0.30 -4.28 118.33 115.48 2aas n VAL 118 Ca 0.10 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.34 61.78 2aas n VAL 118 Cb 0.46 -0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 31.94 2aas n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2aas s HIS 119 N -2.34 0.13 -0.03 6.34 3.76 -1.13 -2.60 115.29 119.43 2aas s HIS 119 Ca -0.12 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 2aas s HIS 119 Cb 0.05 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.60 2aas s HIS 119 CO 0.51 -0.29 -0.01 0.12 -0.85 0.00 0.00 174.74 174.23 2aas s PHE 120 N -1.74 3.08 0.02 1.40 2.19 -1.26 -0.28 117.98 121.39 2aas s PHE 120 Ca -0.12 0.10 -0.00 0.00 0.33 0.00 0.00 56.93 57.23 2aas s PHE 120 Cb -0.06 -1.70 -0.00 0.00 -1.31 0.00 0.00 43.02 39.94 2aas s PHE 120 CO -0.01 0.45 -0.01 -0.25 1.83 0.00 0.00 175.22 177.23 2aas n ASP 121 N 1.67 0.29 -3.89 6.13 9.92 -0.35 -4.91 116.55 125.41 2aas n ASP 121 Ca -0.16 0.04 -0.10 0.00 -0.53 0.00 0.00 54.79 54.04 2aas n ASP 121 Cb 0.53 -0.14 -0.10 0.00 -0.64 0.00 0.00 41.12 40.78 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ALA 122 N -2.11 -0.22 -0.22 2.24 0.00 -1.19 -5.02 121.76 115.23 2aas s ALA 122 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2aas s ALA 122 Cb 0.00 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2aas s ALA 122 CO 0.01 -0.25 -0.10 -1.12 0.00 0.00 0.00 175.76 174.30 2aas s SER 123 N -1.68 3.96 0.00 0.00 0.01 -1.26 -0.41 113.70 114.31 2aas s SER 123 Ca -0.11 -0.73 0.21 0.00 1.31 0.00 0.00 55.95 56.63 2aas s SER 123 Cb -0.05 -1.62 0.17 0.00 0.21 0.00 0.00 66.02 64.73 2aas s SER 123 CO -0.01 -0.07 1.17 1.33 0.41 0.00 0.00 173.24 176.08