#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 3.53 0.73 -1.58 -6.30 -1.26 -4.96 118.70 108.86 2aas s GLU 2 Ca 0.00 -1.12 -0.11 0.00 -2.50 0.00 0.00 54.97 51.24 2aas s GLU 2 Cb 0.00 -5.35 0.03 0.00 0.00 0.00 0.00 34.13 28.81 2aas s GLU 2 CO 0.00 -2.33 1.10 -0.08 0.02 0.00 0.00 175.26 173.97 2aas s THR 3 N 5.40 3.36 0.34 -1.70 -1.32 -1.26 -4.98 115.64 115.47 2aas s THR 3 Ca 0.49 0.44 0.09 0.00 -1.21 0.00 0.00 61.69 61.50 2aas s THR 3 Cb -0.00 -3.37 0.32 0.00 -1.51 0.00 0.00 72.50 67.94 2aas s THR 3 CO -0.08 -0.58 1.81 0.00 -2.21 0.00 0.00 174.62 173.57 2aas h ALA 4 N -0.78 1.82 -0.79 11.08 0.00 -1.93 0.11 119.26 128.77 2aas h ALA 4 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2aas h ALA 4 Cb 1.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2aas h ALA 4 CO 0.63 -0.15 0.50 0.00 0.00 0.00 0.00 179.25 180.23 2aas h ALA 5 N 1.62 1.40 -0.61 0.00 0.00 -1.76 -2.26 119.26 117.64 2aas h ALA 5 Ca 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 2aas h ALA 5 Cb 0.93 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2aas h ALA 5 CO -0.30 0.54 0.22 0.00 0.00 0.00 0.00 179.25 179.71 2aas h ALA 6 N 1.47 1.25 -0.26 0.00 0.00 -1.10 -1.73 119.26 118.89 2aas h ALA 6 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2aas h ALA 6 Cb -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2aas h ALA 6 CO -0.06 0.55 0.12 -0.22 0.00 0.00 0.00 179.25 179.64 2aas h LYS 7 N 0.88 0.37 -0.29 0.00 3.64 -1.34 -0.45 116.57 119.39 2aas h LYS 7 Ca 0.21 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2aas h LYS 7 Cb 0.20 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 2aas h LYS 7 CO -0.02 0.38 -0.20 0.35 -2.27 0.00 0.00 179.45 177.69 2aas h PHE 8 N 0.28 -0.52 -0.16 1.91 3.57 -1.24 -1.29 116.94 119.48 2aas h PHE 8 Ca 0.09 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.67 2aas h PHE 8 Cb 0.13 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2aas h PHE 8 CO -0.02 -0.28 -0.14 0.93 -2.23 0.00 0.00 178.31 176.57 2aas h GLU 9 N -0.18 -0.16 0.36 1.11 5.08 -0.92 0.22 114.58 120.10 2aas h GLU 9 Ca 0.15 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2aas h GLU 9 Cb 0.42 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2aas h GLU 9 CO -0.39 -0.10 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.16 2aas h ARG 10 N -0.16 -0.60 -0.33 2.33 2.43 -0.81 -0.15 114.38 117.08 2aas h ARG 10 Ca 0.11 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 2aas h ARG 10 Cb 0.32 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2aas h ARG 10 CO -0.26 -0.40 -0.19 1.96 -1.51 0.00 0.00 179.97 179.58 2aas h GLN 11 N -0.62 0.62 0.00 0.20 4.20 -1.04 -3.41 115.11 115.05 2aas h GLN 11 Ca -0.03 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 2aas h GLN 11 Cb 0.53 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2aas h GLN 11 CO 0.01 0.77 -1.22 0.72 -0.67 0.00 0.00 178.83 178.43 2aas n HIS 12 N -4.14 0.00 -2.61 2.96 8.25 0.76 -4.39 115.22 116.06 2aas n HIS 12 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2aas n HIS 12 Cb 0.39 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.14 -0.41 -1.94 -0.08 0.62 119.30 119.76 2aas s MET 13 Ca -0.05 1.53 0.20 0.00 -1.71 0.00 0.00 55.69 55.66 2aas s MET 13 Cb 0.01 -3.45 0.45 0.00 2.01 0.00 0.00 34.83 33.85 2aas s MET 13 CO 0.09 -0.18 1.17 -3.47 -0.01 0.00 0.00 175.02 172.62 2aas n ASP 14 N 4.20 1.72 -0.11 3.03 -0.08 -0.12 -4.87 116.55 120.31 2aas n ASP 14 Ca 0.08 -2.67 0.24 0.00 -1.51 0.00 0.00 54.79 50.93 2aas n ASP 14 Cb 0.49 -0.40 0.69 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 1.45 0.03 -0.52 1.67 0.87 -1.73 -0.46 113.55 114.86 2aas h SER 15 Ca -0.09 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2aas h SER 15 Cb 1.51 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.44 2aas h SER 15 CO 0.16 0.01 0.35 0.77 -0.53 0.00 0.00 176.83 177.60 2aas h SER 16 N 0.03 0.35 -4.36 6.23 4.64 -1.91 -3.43 113.55 115.10 2aas h SER 16 Ca 0.36 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 61.02 2aas h SER 16 Cb 1.39 -0.07 -0.27 0.00 -0.31 0.00 0.00 62.40 63.14 2aas h SER 16 CO -0.02 0.22 -0.87 0.42 -0.87 0.00 0.00 176.83 175.72 2aas s THR 17 N -5.37 1.95 -0.21 2.95 -4.23 -0.18 -5.05 115.64 105.49 2aas s THR 17 Ca -0.07 -1.25 0.17 0.00 -1.18 0.00 0.00 61.69 59.36 2aas s THR 17 Cb 0.19 -1.66 0.10 0.00 1.34 0.00 0.00 72.50 72.47 2aas s THR 17 CO 0.74 0.37 1.42 0.77 -0.54 0.00 0.00 174.62 177.38 2aas h SER 18 N 5.00 0.00 -4.67 3.99 4.64 -1.84 -3.43 113.55 117.25 2aas h SER 18 Ca -0.44 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 2aas h SER 18 Cb 1.14 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.05 2aas h SER 18 CO 0.45 0.39 0.37 0.00 -0.87 0.00 0.00 176.83 177.17 2aas s ALA 19 N -3.02 -1.80 -0.45 5.18 0.00 -1.26 -4.81 121.76 115.60 2aas s ALA 19 Ca 0.04 1.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.90 2aas s ALA 19 Cb 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2aas s ALA 19 CO 0.74 -0.50 1.99 0.00 0.00 0.00 0.00 175.76 177.99 2aas s ALA 20 N -2.09 2.35 0.55 0.00 0.00 -1.26 -4.89 121.76 116.44 2aas s ALA 20 Ca -0.02 -0.05 0.40 0.00 0.00 0.00 0.00 51.96 52.29 2aas s ALA 20 Cb -0.01 -4.19 2.14 0.00 0.00 0.00 0.00 23.12 21.06 2aas s ALA 20 CO -0.01 -3.47 2.28 0.66 0.00 0.00 0.00 175.76 175.22 2aas h SER 21 N 15.21 0.00 -5.22 0.00 4.64 -1.99 -3.46 113.55 122.73 2aas h SER 21 Ca -0.30 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.93 2aas h SER 21 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.16 2aas h SER 21 CO 1.12 0.01 -0.31 -0.94 -0.87 0.00 0.00 176.83 175.84 2aas s SER 22 N -5.42 0.04 0.65 4.97 1.04 -1.26 -5.04 113.70 108.68 2aas s SER 22 Ca -0.04 -0.78 0.36 0.00 0.48 0.00 0.00 55.95 55.97 2aas s SER 22 Cb 0.13 0.42 1.96 0.00 0.10 0.00 0.00 66.02 68.63 2aas s SER 22 CO 0.46 -0.86 2.15 0.77 0.98 0.00 0.00 173.24 176.74 2aas h SER 23 N 2.57 0.00 0.00 7.02 4.64 -1.88 -2.39 113.55 123.51 2aas h SER 23 Ca -0.32 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2aas h SER 23 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2aas h SER 23 CO 0.50 0.00 -0.16 0.59 -0.87 0.00 0.00 176.83 176.88 2aas n ASN 24 N -3.19 1.87 -0.16 4.97 4.13 -1.26 -2.23 115.26 119.38 2aas n ASN 24 Ca -0.02 -2.98 -0.02 0.00 1.68 0.00 0.00 54.58 53.25 2aas n ASN 24 Cb 0.24 -0.40 0.06 0.00 -1.54 0.00 0.00 39.78 38.14 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 0.13 -0.08 -0.80 3.10 3.20 -1.78 -2.39 116.97 118.36 2aas h TYR 25 Ca -0.01 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.04 2aas h TYR 25 Cb 1.09 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 2aas h TYR 25 CO 0.10 -0.14 0.52 0.00 -1.64 0.00 0.00 178.16 177.00 2aas h ASN 27 N 0.54 -1.07 -0.06 0.00 4.21 -1.68 0.18 115.58 117.70 2aas h ASN 27 Ca 0.39 0.16 -0.04 0.00 1.21 0.00 0.00 56.30 58.03 2aas h ASN 27 Cb 0.74 0.47 -0.00 0.00 -1.12 0.00 0.00 38.32 38.41 2aas h ASN 27 CO -0.15 -0.35 -0.10 -0.61 -1.29 0.00 0.00 177.43 174.92 2aas h GLN 28 N -0.36 0.18 -0.64 0.81 5.75 -1.69 -3.31 115.11 115.85 2aas h GLN 28 Ca 0.12 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2aas h GLN 28 Cb 0.55 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 2aas h GLN 28 CO -0.42 0.68 0.28 1.98 -2.65 0.00 0.00 178.83 178.70 2aas h MET 29 N -0.30 0.95 -0.89 1.69 4.05 -1.14 -2.12 114.93 117.17 2aas h MET 29 Ca 0.00 -0.16 0.15 0.00 -0.28 0.00 0.00 59.70 59.42 2aas h MET 29 Cb 0.67 -0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 2aas h MET 29 CO 0.02 0.78 0.58 0.52 0.23 0.00 0.00 176.91 179.04 2aas h MET 30 N 0.90 0.66 -0.01 0.39 2.86 -0.78 -2.47 114.93 116.47 2aas h MET 30 Ca 0.22 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2aas h MET 30 Cb 0.17 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2aas h MET 30 CO -0.02 0.43 -0.01 0.87 1.06 0.00 0.00 176.91 179.24 2aas h LYS 31 N 0.68 0.03 -0.71 1.72 1.57 -1.48 -2.90 116.57 115.47 2aas h LYS 31 Ca 0.45 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.37 2aas h LYS 31 Cb 0.75 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.94 2aas h LYS 31 CO -0.21 0.51 0.01 0.77 -0.57 0.00 0.00 179.45 179.96 2aas h SER 32 N -0.46 -0.31 0.00 0.86 0.02 -1.02 0.04 113.55 112.68 2aas h SER 32 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2aas h SER 32 Cb 0.50 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2aas h SER 32 CO 0.00 -0.15 0.00 0.54 -1.14 0.00 0.00 176.83 176.08 2aas n ARG 33 N -5.32 0.86 -0.10 3.45 5.12 -1.14 -4.84 116.66 114.69 2aas n ARG 33 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2aas n ARG 33 Cb 0.43 -1.36 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 0.09 -1.93 0.00 0.00 177.63 175.79 2aas n ASN 34 N 0.17 0.00 -0.33 0.55 4.13 0.00 -4.80 115.26 114.98 2aas n ASN 34 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 2aas n ASN 34 Cb 0.26 -1.40 0.23 0.00 -1.54 0.00 0.00 39.78 37.33 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2aas h LEU 35 N 0.00 0.94 -2.37 3.41 3.38 -1.65 -2.22 115.31 116.80 2aas h LEU 35 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2aas h LEU 35 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2aas h LEU 35 CO 0.00 0.59 0.00 0.35 0.09 0.00 0.00 178.44 179.47 2aas n THR 36 N -4.51 0.63 1.17 0.22 -2.24 -1.20 -4.54 114.28 103.81 2aas n THR 36 Ca 0.15 -0.81 0.11 0.00 -2.27 0.00 0.00 64.05 61.23 2aas n THR 36 Cb 0.22 0.80 0.61 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.81 0.41 -0.01 -0.78 5.02 -0.84 -3.59 118.16 119.18 2aas n LYS 37 Ca 0.13 0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.42 2aas n LYS 37 Cb 0.43 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.23 1.34 -4.09 4.39 9.92 -1.26 -5.06 116.55 120.55 2aas n ASP 38 Ca 0.12 0.20 -0.08 0.00 -0.53 0.00 0.00 54.79 54.51 2aas n ASP 38 Cb 0.16 -0.47 -0.10 0.00 -0.64 0.00 0.00 41.12 40.08 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 -2.33 0.68 -0.39 -1.24 0.52 -1.24 -5.06 118.95 109.89 2aas s ARG 39 Ca -0.12 -1.25 -0.28 0.00 -0.52 0.00 0.00 55.73 53.55 2aas s ARG 39 Cb 0.02 0.22 0.02 0.00 0.52 0.00 0.00 34.95 35.73 2aas s ARG 39 CO 0.17 -0.14 1.08 0.00 0.02 0.00 0.00 175.30 176.42 2aas s LYS 41 N 3.95 4.38 0.22 0.00 2.20 -1.26 -4.99 119.74 124.24 2aas s LYS 41 Ca 0.45 1.67 -0.10 0.00 -0.36 0.00 0.00 55.97 57.64 2aas s LYS 41 Cb -0.10 -3.51 0.33 0.00 -1.51 0.00 0.00 37.83 33.04 2aas s LYS 41 CO 0.23 -0.38 1.66 -1.35 -0.36 0.00 0.00 175.35 175.14 2aas h PRO 42 N 7.28 0.13 -3.64 4.03 0.11 -1.96 -3.43 132.00 134.52 2aas h PRO 42 Ca -0.36 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.54 2aas h PRO 42 Cb 1.17 -0.03 -0.26 0.00 0.11 0.00 0.00 31.00 32.00 2aas h PRO 42 CO 0.86 0.08 -0.65 0.54 -0.21 0.00 0.00 178.00 178.62 2aas s VAL 43 N -6.14 0.02 0.24 3.15 0.11 -1.26 -0.77 120.40 115.75 2aas s VAL 43 Ca -0.13 -0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.55 2aas s VAL 43 Cb 0.19 -0.13 0.03 0.00 -1.53 0.00 0.00 36.38 34.95 2aas s VAL 43 CO 0.74 -0.09 0.65 0.21 -3.33 0.00 0.00 175.10 173.28 2aas s ASN 44 N -0.26 -0.32 -0.05 3.54 2.47 -0.22 -5.03 114.94 115.06 2aas s ASN 44 Ca -0.03 -0.47 -0.00 0.00 0.42 0.00 0.00 52.86 52.78 2aas s ASN 44 Cb -0.02 0.67 0.03 0.00 -1.45 0.00 0.00 41.25 40.47 2aas s ASN 44 CO 0.00 -1.20 -0.01 -0.89 -3.72 0.00 0.00 177.10 171.27 2aas s THR 45 N -3.88 0.37 0.24 -5.21 2.01 -1.26 -0.37 115.64 107.54 2aas s THR 45 Ca 0.09 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 2aas s THR 45 Cb -0.04 -0.47 -0.07 0.00 0.01 0.00 0.00 72.50 71.94 2aas s THR 45 CO 0.01 0.22 0.54 -0.36 -0.69 0.00 0.00 174.62 174.33 2aas s PHE 46 N 1.34 3.44 -0.24 4.92 0.08 0.10 -4.22 117.98 123.41 2aas s PHE 46 Ca -0.05 0.80 0.01 0.00 0.12 0.00 0.00 56.93 57.81 2aas s PHE 46 Cb -0.13 -2.21 0.06 0.00 -0.57 0.00 0.00 43.02 40.17 2aas s PHE 46 CO -0.02 0.25 -0.05 0.08 -0.10 0.00 0.00 175.22 175.38 2aas s VAL 47 N -1.87 1.53 -1.37 -0.44 1.01 0.20 0.34 120.40 119.81 2aas s VAL 47 Ca 0.46 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2aas s VAL 47 Cb -0.11 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2aas s VAL 47 CO 0.24 -0.12 2.70 1.41 0.00 0.00 0.00 175.10 179.33 2aas n HIS 48 N 4.66 2.38 -4.02 5.22 8.25 0.42 -0.95 115.22 131.18 2aas n HIS 48 Ca -0.11 -2.86 -0.08 0.00 -0.26 0.00 0.00 57.72 54.41 2aas n HIS 48 Cb 0.44 -2.10 -0.09 0.00 1.12 0.00 0.00 29.99 29.36 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 0.35 0.75 0.74 -0.41 0.41 -1.26 -4.61 118.70 114.66 2aas s GLU 49 Ca 0.62 -1.17 -0.12 0.00 -0.41 0.00 0.00 54.97 53.89 2aas s GLU 49 Cb 0.20 0.26 0.04 0.00 -1.78 0.00 0.00 34.13 32.85 2aas s GLU 49 CO -0.08 -0.19 1.10 -1.54 -0.49 0.00 0.00 175.26 174.05 2aas s SER 50 N -2.92 4.67 0.22 -0.19 1.04 -1.26 -3.47 113.70 111.78 2aas s SER 50 Ca 0.09 1.88 -0.08 0.00 0.48 0.00 0.00 55.95 58.32 2aas s SER 50 Cb 0.07 -2.53 0.29 0.00 0.10 0.00 0.00 66.02 63.95 2aas s SER 50 CO -0.08 -1.93 1.80 0.25 0.98 0.00 0.00 173.24 174.27 2aas h LEU 51 N -0.79 0.56 -0.73 2.42 5.85 -1.99 -2.36 115.31 118.27 2aas h LEU 51 Ca -0.44 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.47 2aas h LEU 51 Cb 1.24 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 2aas h LEU 51 CO 0.52 0.35 0.21 0.00 -0.34 0.00 0.00 178.44 179.18 2aas h ALA 52 N 1.39 0.97 -0.58 1.25 0.00 -1.99 0.34 119.26 120.63 2aas h ALA 52 Ca 0.33 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 2aas h ALA 52 Cb 0.26 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2aas h ALA 52 CO -0.21 -0.30 0.17 -0.44 0.00 0.00 0.00 179.25 178.46 2aas h ASP 53 N 0.31 0.87 1.21 0.00 3.32 -1.82 -2.74 116.42 117.57 2aas h ASP 53 Ca 0.41 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 2aas h ASP 53 Cb 0.68 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2aas h ASP 53 CO -0.47 0.86 -0.70 0.58 -1.72 0.00 0.00 179.24 177.78 2aas h VAL 54 N 0.83 1.24 -0.60 -1.35 2.07 -0.77 -2.87 116.25 114.81 2aas h VAL 54 Ca 0.19 -2.66 0.06 0.00 0.82 0.00 0.00 66.70 65.11 2aas h VAL 54 Cb 0.31 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 2aas h VAL 54 CO -0.00 0.69 0.40 1.56 0.02 0.00 0.00 177.57 180.23 2aas h GLN 55 N 0.00 0.58 0.00 1.57 4.20 -0.24 -1.26 115.11 119.96 2aas h GLN 55 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2aas h GLN 55 Cb 1.49 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.14 2aas h GLN 55 CO 0.09 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 178.64 2aas h ALA 56 N 1.67 1.00 0.13 3.87 0.00 -1.25 -2.59 119.26 122.09 2aas h ALA 56 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 2aas h ALA 56 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2aas h ALA 56 CO -0.08 0.00 -1.35 0.28 0.00 0.00 0.00 179.25 178.11 2aas h VAL 57 N 0.00 1.38 -0.06 0.00 2.07 -1.31 -3.26 116.25 115.06 2aas h VAL 57 Ca 0.00 -2.96 0.02 0.00 0.82 0.00 0.00 66.70 64.58 2aas h VAL 57 Cb 0.19 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2aas h VAL 57 CO 0.00 0.86 0.33 0.00 0.02 0.00 0.00 177.57 178.78 2aas n SER 59 N -3.05 1.84 0.00 0.00 3.41 -1.23 -4.88 113.62 109.71 2aas n SER 59 Ca -0.01 -3.85 0.00 0.00 -0.26 0.00 0.00 58.87 54.75 2aas n SER 59 Cb 0.40 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.13 0.00 -3.78 4.33 6.02 -0.53 -5.07 117.38 117.22 2aas n GLN 60 Ca 0.21 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.06 2aas n GLN 60 Cb 0.73 -0.22 -0.14 0.00 1.02 0.00 0.00 30.24 31.63 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 -0.54 0.08 0.13 -1.09 -2.85 -0.86 -5.00 119.74 109.60 2aas s LYS 61 Ca 0.00 0.26 -0.28 0.00 -1.00 0.00 0.00 55.97 54.95 2aas s LYS 61 Cb 0.00 -0.11 -0.07 0.00 -2.06 0.00 0.00 37.83 35.59 2aas s LYS 61 CO 0.00 -0.11 0.86 1.21 0.10 0.00 0.00 175.35 177.41 2aas s ASN 62 N 0.78 7.42 0.11 0.03 3.84 -1.26 -0.65 114.94 125.20 2aas s ASN 62 Ca -0.06 1.69 -0.01 0.00 0.21 0.00 0.00 52.86 54.69 2aas s ASN 62 Cb -0.08 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.04 2aas s ASN 62 CO -0.03 0.06 0.04 0.68 -2.79 0.00 0.00 177.10 175.06 2aas s VAL 63 N -0.50 0.14 0.02 -5.21 -7.23 0.02 -4.89 120.40 102.75 2aas s VAL 63 Ca 0.41 -1.86 -0.19 0.00 -1.81 0.00 0.00 61.98 58.53 2aas s VAL 63 Cb -0.23 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 2aas s VAL 63 CO 0.27 -0.63 0.55 0.00 -0.31 0.00 0.00 175.10 174.99 2aas s ALA 64 N -4.01 3.55 0.63 1.32 0.00 -1.26 -2.44 121.76 119.55 2aas s ALA 64 Ca 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 2aas s ALA 64 Cb 0.07 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 2aas s ALA 64 CO -0.02 0.29 1.11 0.00 0.00 0.00 0.00 175.76 177.14 2aas h LYS 66 N 0.34 0.00 0.00 0.00 6.56 -1.92 0.16 116.57 121.71 2aas h LYS 66 Ca -0.48 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.10 2aas h LYS 66 Cb 1.25 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2aas h LYS 66 CO 0.55 0.00 -1.01 -2.95 -2.06 0.00 0.00 179.45 173.98 2aas h ASN 67 N 0.00 0.00 0.00 0.86 -1.07 -2.01 -3.48 115.58 109.88 2aas h ASN 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2aas h ASN 67 Cb 0.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.53 2aas h ASN 67 CO 0.00 0.04 0.00 0.61 0.07 0.00 0.00 177.43 178.15 2aas n GLY 68 N 1.19 1.78 3.72 9.14 0.00 0.57 -5.11 105.19 116.48 2aas n GLY 68 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.21 0.00 1.61 -0.21 -1.25 -4.65 119.66 119.37 2aas s GLN 69 Ca 0.00 2.37 0.26 0.00 0.02 0.00 0.00 55.36 58.01 2aas s GLN 69 Cb 0.00 -3.17 1.35 0.00 1.00 0.00 0.00 33.01 32.18 2aas s GLN 69 CO 0.00 -0.62 1.87 0.25 -2.12 0.00 0.00 175.29 174.67 2aas n THR 70 N 4.01 0.15 -1.41 -0.19 -2.24 -1.26 -0.22 114.28 113.11 2aas n THR 70 Ca 0.14 0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.61 2aas n THR 70 Cb 0.38 -0.62 0.07 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.22 7.55 -4.56 3.42 6.94 -1.26 -4.62 115.26 121.52 2aas n ASN 71 Ca 0.14 -3.73 -0.29 0.00 -0.02 0.00 0.00 54.58 50.68 2aas n ASN 71 Cb 0.18 -1.01 -0.10 0.00 -2.36 0.00 0.00 39.78 36.49 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 -1.35 -0.08 0.04 0.00 1.51 0.00 -0.80 117.35 116.68 2aas s TYR 73 Ca 0.22 0.19 0.05 0.00 -1.01 0.00 0.00 57.07 56.51 2aas s TYR 73 Cb -0.10 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 2aas s TYR 73 CO 0.13 -0.05 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.31 2aas s GLN 74 N -0.03 2.43 0.50 -0.62 0.74 0.18 -1.38 119.66 121.48 2aas s GLN 74 Ca -0.01 -0.82 -0.18 0.00 0.05 0.00 0.00 55.36 54.40 2aas s GLN 74 Cb -0.01 -2.45 -0.08 0.00 1.10 0.00 0.00 33.01 31.57 2aas s GLN 74 CO 0.00 0.57 0.99 -1.54 -0.55 0.00 0.00 175.29 174.76 2aas s SER 75 N -1.75 6.56 0.28 6.67 1.04 -0.99 -2.04 113.70 123.47 2aas s SER 75 Ca 0.19 1.68 0.25 0.00 0.48 0.00 0.00 55.95 58.55 2aas s SER 75 Cb -0.11 -2.53 0.99 0.00 0.10 0.00 0.00 66.02 64.47 2aas s SER 75 CO 0.11 -0.63 1.74 1.88 0.98 0.00 0.00 173.24 177.32 2aas h TYR 76 N 1.19 0.00 -3.13 5.02 0.05 -1.94 -3.44 116.97 114.72 2aas h TYR 76 Ca -0.48 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.15 2aas h TYR 76 Cb 1.19 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.90 2aas h TYR 76 CO 0.62 0.00 -0.07 -1.13 -1.05 0.00 0.00 178.16 176.53 2aas n SER 77 N -2.33 -0.84 -4.78 3.88 3.41 -1.26 -5.10 113.62 106.61 2aas n SER 77 Ca 0.02 -2.10 -0.38 0.00 -0.26 0.00 0.00 58.87 56.16 2aas n SER 77 Cb 0.26 1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 65.69 2aas n SER 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2aas s THR 78 N -2.64 4.26 0.10 6.66 -4.23 -1.26 -4.43 115.64 114.10 2aas s THR 78 Ca 0.16 1.79 0.08 0.00 -1.18 0.00 0.00 61.69 62.54 2aas s THR 78 Cb -0.01 -4.09 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 2aas s THR 78 CO 0.12 0.30 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.26 2aas s MET 79 N -1.67 1.09 -0.49 3.99 -1.94 0.49 -4.81 119.30 115.96 2aas s MET 79 Ca 0.44 -1.14 -0.28 0.00 -1.71 0.00 0.00 55.69 53.01 2aas s MET 79 Cb -0.21 -1.33 -0.01 0.00 2.01 0.00 0.00 34.83 35.29 2aas s MET 79 CO 0.26 0.31 1.73 0.45 -0.01 0.00 0.00 175.02 177.76 2aas s SER 80 N -1.88 5.71 0.02 3.03 0.15 -1.26 -1.75 113.70 117.72 2aas s SER 80 Ca 0.05 0.71 0.08 0.00 0.70 0.00 0.00 55.95 57.49 2aas s SER 80 Cb -0.10 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 2aas s SER 80 CO 0.04 -1.96 -0.23 0.27 1.20 0.00 0.00 173.24 172.56 2aas s ILE 81 N 7.55 2.35 -0.41 6.45 -5.25 0.16 -0.44 121.20 131.61 2aas s ILE 81 Ca 0.69 -1.19 0.01 0.00 -0.99 0.00 0.00 60.65 59.16 2aas s ILE 81 Cb -0.16 -1.91 0.11 0.00 2.95 0.00 0.00 42.46 43.46 2aas s ILE 81 CO 0.27 0.45 0.16 -0.89 -1.79 0.00 0.00 174.94 173.14 2aas s THR 82 N -0.77 2.80 -0.06 8.37 2.01 0.15 -1.03 115.64 127.11 2aas s THR 82 Ca 0.12 -2.40 -0.30 0.00 0.31 0.00 0.00 61.69 59.42 2aas s THR 82 Cb -0.10 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 2aas s THR 82 CO 0.02 -0.68 1.10 -0.62 -0.69 0.00 0.00 174.62 173.75 2aas s ASP 83 N 1.09 7.17 -0.31 3.53 2.15 0.08 0.01 116.67 130.38 2aas s ASP 83 Ca 0.11 1.70 -0.03 0.00 0.43 0.00 0.00 52.55 54.76 2aas s ASP 83 Cb -0.21 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 39.90 2aas s ASP 83 CO -0.05 -0.48 0.03 0.00 -0.17 0.00 0.00 175.17 174.49 2aas s ARG 85 N 1.28 1.75 0.32 0.00 3.52 -0.54 -1.06 118.95 124.22 2aas s ARG 85 Ca -0.04 -0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.68 2aas s ARG 85 Cb -0.20 -1.52 -0.10 0.00 -1.56 0.00 0.00 34.95 31.57 2aas s ARG 85 CO -0.00 0.23 1.35 -2.00 -0.81 0.00 0.00 175.30 174.07 2aas s GLU 86 N 0.06 4.32 0.45 5.12 2.12 0.05 0.25 118.70 131.05 2aas s GLU 86 Ca -0.04 2.27 0.03 0.00 0.36 0.00 0.00 54.97 57.59 2aas s GLU 86 Cb -0.11 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.22 2aas s GLU 86 CO 0.02 -0.26 0.64 0.95 -0.54 0.00 0.00 175.26 176.07 2aas s THR 87 N -0.94 3.52 0.50 -1.70 -4.23 -0.10 -4.76 115.64 107.92 2aas s THR 87 Ca 0.51 -0.73 0.16 0.00 -1.18 0.00 0.00 61.69 60.45 2aas s THR 87 Cb -0.41 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.45 2aas s THR 87 CO 0.52 -0.16 2.11 1.23 -0.54 0.00 0.00 174.62 177.79 2aas h GLY 88 N 0.46 0.10 -3.86 3.99 0.00 -1.97 -3.14 103.07 98.66 2aas h GLY 88 Ca -0.44 -0.03 -0.44 0.00 0.00 0.00 0.00 47.33 46.41 2aas h GLY 88 CO 0.53 0.03 0.52 -1.26 0.00 0.00 0.00 176.54 176.37 2aas n SER 89 N -4.51 6.75 -4.16 0.19 2.88 -1.26 -4.79 113.62 108.71 2aas n SER 89 Ca -0.00 -3.26 -0.39 0.00 -1.33 0.00 0.00 58.87 53.89 2aas n SER 89 Cb 0.15 -1.08 -0.08 0.00 -0.75 0.00 0.00 64.21 62.46 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 -0.20 5.64 -0.60 -3.46 0.15 -1.19 -4.19 113.70 109.84 2aas s SER 90 Ca 0.44 -2.85 -0.03 0.00 0.70 0.00 0.00 55.95 54.20 2aas s SER 90 Cb 0.33 -1.95 0.16 0.00 -1.71 0.00 0.00 66.02 62.85 2aas s SER 90 CO -0.07 -0.41 0.42 -1.59 1.20 0.00 0.00 173.24 172.79 2aas s LYS 91 N -0.06 2.54 -0.11 5.44 0.00 -0.17 -4.77 119.74 122.59 2aas s LYS 91 Ca 0.18 -2.43 -0.41 0.00 0.00 0.00 0.00 55.97 53.30 2aas s LYS 91 Cb -0.17 -3.75 -0.20 0.00 0.00 0.00 0.00 37.83 33.71 2aas s LYS 91 CO -0.05 -1.17 1.18 0.98 0.00 0.00 0.00 175.35 176.30 2aas n TYR 92 N 3.67 0.89 0.97 1.78 9.36 -1.26 -0.32 117.16 132.25 2aas n TYR 92 Ca 0.06 1.08 0.12 0.00 3.32 0.00 0.00 57.90 62.48 2aas n TYR 92 Cb 0.39 -2.11 0.57 0.00 -0.63 0.00 0.00 39.34 37.55 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 0.11 -2.90 2.98 -0.04 -1.26 -5.00 135.00 130.95 2aas n PRO 93 Ca 0.22 0.06 -0.44 0.00 -0.04 0.00 0.00 63.50 63.31 2aas n PRO 93 Cb 0.05 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 2aas n PRO 93 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2aas s ASN 94 N -2.87 6.89 -0.28 3.54 3.84 0.56 -4.95 114.94 121.66 2aas s ASN 94 Ca 0.16 -2.59 -0.25 0.00 0.21 0.00 0.00 52.86 50.40 2aas s ASN 94 Cb 0.17 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 2aas s ASN 94 CO 0.44 -0.91 0.84 0.00 -2.79 0.00 0.00 177.10 174.68 2aas s ALA 96 N 3.00 2.91 0.14 0.00 0.00 -1.26 -4.60 121.76 121.95 2aas s ALA 96 Ca 0.35 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.47 2aas s ALA 96 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2aas s ALA 96 CO 0.11 0.04 -0.18 0.71 0.00 0.00 0.00 175.76 176.44 2aas s TYR 97 N 0.67 1.71 -0.21 0.00 1.51 -1.26 -0.93 117.35 118.85 2aas s TYR 97 Ca -0.03 -0.47 -0.13 0.00 -1.01 0.00 0.00 57.07 55.44 2aas s TYR 97 Cb -0.15 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2aas s TYR 97 CO 0.02 0.26 0.25 -1.59 -1.11 0.00 0.00 175.55 173.38 2aas s LYS 98 N -2.53 4.16 -0.17 -0.62 -2.85 0.14 -4.70 119.74 113.17 2aas s LYS 98 Ca 0.12 -0.06 -0.06 0.00 -1.00 0.00 0.00 55.97 54.97 2aas s LYS 98 Cb -0.07 -3.49 -0.04 0.00 -2.06 0.00 0.00 37.83 32.17 2aas s LYS 98 CO 0.05 0.12 0.04 0.99 0.10 0.00 0.00 175.35 176.65 2aas s THR 99 N 0.87 4.59 -0.19 3.79 2.01 -0.95 -1.47 115.64 124.29 2aas s THR 99 Ca 0.13 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2aas s THR 99 Cb -0.13 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.34 2aas s THR 99 CO 0.04 0.48 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.39 2aas s THR 100 N 0.29 2.35 -0.35 -0.82 2.01 0.15 -4.78 115.64 114.49 2aas s THR 100 Ca 0.02 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 2aas s THR 100 Cb -0.13 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 2aas s THR 100 CO 0.01 0.52 0.26 -1.58 -0.69 0.00 0.00 174.62 173.14 2aas s GLN 101 N 1.30 3.47 -0.09 4.92 2.00 -1.26 -0.74 119.66 129.25 2aas s GLN 101 Ca 0.04 -0.63 -0.10 0.00 -2.00 0.00 0.00 55.36 52.67 2aas s GLN 101 Cb -0.13 -3.82 0.03 0.00 0.80 0.00 0.00 33.01 29.88 2aas s GLN 101 CO -0.10 -0.48 0.28 0.00 -0.50 0.00 0.00 175.29 174.49 2aas s ALA 102 N 1.77 -0.70 -0.55 1.58 0.00 -0.20 -5.03 121.76 118.63 2aas s ALA 102 Ca 0.07 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 2aas s ALA 102 Cb -0.17 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.64 2aas s ALA 102 CO 0.11 -0.15 0.62 0.54 0.00 0.00 0.00 175.76 176.87 2aas s ASN 103 N -0.06 6.19 0.17 0.00 4.22 -1.26 -0.66 114.94 123.54 2aas s ASN 103 Ca -0.02 -1.32 0.05 0.00 -2.14 0.00 0.00 52.86 49.43 2aas s ASN 103 Cb -0.03 -2.27 -0.05 0.00 1.28 0.00 0.00 41.25 40.19 2aas s ASN 103 CO 0.01 -0.96 -0.10 -0.54 -2.04 0.00 0.00 177.10 173.47 2aas s LYS 104 N 2.40 1.16 0.40 3.55 -0.14 -0.72 -4.73 119.74 121.67 2aas s LYS 104 Ca 0.10 -1.52 -0.25 0.00 -1.36 0.00 0.00 55.97 52.95 2aas s LYS 104 Cb -0.24 -0.74 -0.08 0.00 -1.68 0.00 0.00 37.83 35.09 2aas s LYS 104 CO 0.07 0.08 1.17 -1.01 -0.76 0.00 0.00 175.35 174.90 2aas s HIS 105 N -3.26 3.07 -0.00 3.18 3.76 -0.49 -0.38 115.29 121.17 2aas s HIS 105 Ca 0.20 1.55 0.08 0.00 -0.15 0.00 0.00 55.06 56.74 2aas s HIS 105 Cb 0.02 -3.39 -0.02 0.00 1.11 0.00 0.00 32.58 30.30 2aas s HIS 105 CO 0.03 -1.31 -0.25 0.96 -0.85 0.00 0.00 174.74 173.32 2aas s ILE 106 N -1.42 2.14 -0.29 0.60 -4.36 -1.26 -0.37 121.20 116.23 2aas s ILE 106 Ca 0.57 -1.17 -0.07 0.00 -0.26 0.00 0.00 60.65 59.72 2aas s ILE 106 Cb -0.30 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.64 2aas s ILE 106 CO 0.38 0.52 0.09 -0.63 0.24 0.00 0.00 174.94 175.54 2aas s ILE 107 N -0.67 4.06 -0.06 8.37 1.09 0.39 -2.36 121.20 132.02 2aas s ILE 107 Ca 0.11 -0.62 0.03 0.00 -1.10 0.00 0.00 60.65 59.07 2aas s ILE 107 Cb -0.10 -3.07 -0.03 0.00 -1.06 0.00 0.00 42.46 38.20 2aas s ILE 107 CO 0.00 0.10 -0.14 0.68 -0.10 0.00 0.00 174.94 175.49 2aas s VAL 108 N 1.52 3.12 -0.15 2.92 -7.23 -0.48 -1.18 120.40 118.93 2aas s VAL 108 Ca 0.03 -0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 2aas s VAL 108 Cb -0.17 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 2aas s VAL 108 CO 0.03 0.58 0.78 0.00 -0.31 0.00 0.00 175.10 176.19 2aas s ALA 109 N -0.62 3.47 0.09 1.32 0.00 0.78 -0.82 121.76 125.98 2aas s ALA 109 Ca 0.09 0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.17 2aas s ALA 109 Cb -0.11 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2aas s ALA 109 CO 0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 175.76 175.01 2aas s GLU 111 N -1.65 1.62 0.01 0.00 0.41 -0.52 -4.88 118.70 113.69 2aas s GLU 111 Ca 0.10 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.57 2aas s GLU 111 Cb -0.10 0.53 0.00 0.00 -1.78 0.00 0.00 34.13 32.79 2aas s GLU 111 CO 0.04 -0.70 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 2aas n GLY 112 N -0.41 -3.80 2.76 -1.39 0.00 -1.26 -0.56 105.19 100.53 2aas n GLY 112 Ca -0.04 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.63 1.48 0.55 1.61 2.47 -1.26 -3.54 114.94 115.62 2aas s ASN 113 Ca 0.00 -0.40 -0.18 0.00 0.42 0.00 0.00 52.86 52.71 2aas s ASN 113 Cb 0.00 0.45 -0.06 0.00 -1.45 0.00 0.00 41.25 40.19 2aas s ASN 113 CO 0.00 -0.35 1.06 -2.16 -3.72 0.00 0.00 177.10 171.93 2aas s PRO 114 N 2.34 3.50 0.14 0.43 0.04 -1.26 -5.07 135.00 135.13 2aas s PRO 114 Ca 0.08 1.31 -0.32 0.00 0.04 0.00 0.00 61.00 62.11 2aas s PRO 114 Cb -0.15 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 2aas s PRO 114 CO -0.20 -0.67 1.75 0.98 0.04 0.00 0.00 177.00 178.90 2aas n TYR 115 N -1.54 2.58 -4.48 0.56 9.36 -1.23 -5.00 117.16 117.40 2aas n TYR 115 Ca 0.09 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.11 2aas n TYR 115 Cb 0.52 -2.67 -0.15 0.00 -0.63 0.00 0.00 39.34 36.42 2aas n TYR 115 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2aas s VAL 116 N 1.96 0.90 -0.11 2.97 -7.23 0.28 -4.91 120.40 114.26 2aas s VAL 116 Ca 0.80 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 2aas s VAL 116 Cb -0.54 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2aas s VAL 116 CO 0.37 0.23 1.58 -2.16 -0.31 0.00 0.00 175.10 174.80 2aas s PRO 117 N -0.35 4.10 -0.15 4.82 0.04 -1.26 -1.43 135.00 140.76 2aas s PRO 117 Ca 0.04 1.98 0.19 0.00 0.04 0.00 0.00 61.00 63.24 2aas s PRO 117 Cb -0.05 -3.96 -0.27 0.00 0.04 0.00 0.00 34.50 30.27 2aas s PRO 117 CO -0.00 -0.93 0.19 1.33 0.04 0.00 0.00 177.00 177.63 2aas n VAL 118 N 5.68 1.09 -3.78 -0.36 0.24 0.38 -4.38 118.33 117.20 2aas n VAL 118 Ca 0.17 -0.78 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 2aas n VAL 118 Cb 0.44 -0.38 -0.11 0.00 -1.47 0.00 0.00 33.84 32.32 2aas n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2aas s HIS 119 N -2.73 -0.25 -0.14 6.34 5.65 -1.02 -3.47 115.29 119.67 2aas s HIS 119 Ca -0.09 0.58 -0.06 0.00 0.25 0.00 0.00 55.06 55.74 2aas s HIS 119 Cb 0.08 0.09 -0.04 0.00 -1.18 0.00 0.00 32.58 31.53 2aas s HIS 119 CO 0.85 -0.21 0.06 0.12 -0.65 0.00 0.00 174.74 174.91 2aas s PHE 120 N -0.28 3.30 -0.02 3.88 2.19 -1.26 -0.16 117.98 125.64 2aas s PHE 120 Ca -0.04 0.21 -0.05 0.00 0.33 0.00 0.00 56.93 57.38 2aas s PHE 120 Cb -0.03 -1.96 -0.02 0.00 -1.31 0.00 0.00 43.02 39.71 2aas s PHE 120 CO 0.01 0.38 -0.10 -3.47 1.83 0.00 0.00 175.22 173.88 2aas n ASP 121 N 2.75 0.87 -3.74 6.13 2.03 -0.32 -4.95 116.55 119.33 2aas n ASP 121 Ca -0.18 0.13 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 2aas n ASP 121 Cb 0.53 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.46 2aas n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ALA 122 N -2.45 -0.70 -0.12 -1.67 0.00 -1.20 -4.95 121.76 110.67 2aas s ALA 122 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2aas s ALA 122 Cb 0.01 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 2aas s ALA 122 CO 0.12 -0.48 -0.13 -1.12 0.00 0.00 0.00 175.76 174.14 2aas s SER 123 N -2.33 3.99 0.00 0.00 0.01 -1.26 -0.46 113.70 113.65 2aas s SER 123 Ca -0.02 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2aas s SER 123 Cb 0.01 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2aas s SER 123 CO -0.06 0.18 0.51 1.33 0.41 0.00 0.00 173.24 175.61