#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 3.62 0.71 -1.58 2.12 -1.26 -4.88 118.70 117.43 2aas s GLU 2 Ca 0.00 -1.28 -0.03 0.00 0.36 0.00 0.00 54.97 54.03 2aas s GLU 2 Cb 0.00 -5.29 0.11 0.00 0.26 0.00 0.00 34.13 29.21 2aas s GLU 2 CO 0.00 -2.14 0.99 0.95 -0.54 0.00 0.00 175.26 174.52 2aas s THR 3 N 4.54 2.23 0.30 -1.70 -4.23 -1.26 -4.97 115.64 110.55 2aas s THR 3 Ca 0.44 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2aas s THR 3 Cb -0.01 -2.71 0.30 0.00 1.34 0.00 0.00 72.50 71.42 2aas s THR 3 CO -0.09 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.82 2aas h ALA 4 N -0.54 1.63 -0.87 3.99 0.00 -1.92 -0.97 119.26 120.58 2aas h ALA 4 Ca -0.39 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2aas h ALA 4 Cb 1.27 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2aas h ALA 4 CO 0.44 0.10 0.57 0.00 0.00 0.00 0.00 179.25 180.36 2aas h ALA 5 N 1.57 1.47 -0.57 0.00 0.00 -1.76 -1.50 119.26 118.48 2aas h ALA 5 Ca 0.50 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 2aas h ALA 5 Cb 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2aas h ALA 5 CO -0.27 0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 2aas h ALA 6 N 1.50 0.89 -0.66 0.00 0.00 -1.51 -2.07 119.26 117.40 2aas h ALA 6 Ca 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2aas h ALA 6 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2aas h ALA 6 CO -0.10 0.65 0.34 0.87 0.00 0.00 0.00 179.25 181.01 2aas h LYS 7 N 0.91 0.94 -0.20 0.00 1.57 -0.66 0.48 116.57 119.61 2aas h LYS 7 Ca 0.16 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2aas h LYS 7 Cb 0.56 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 2aas h LYS 7 CO 0.03 0.73 -0.23 0.35 -0.57 0.00 0.00 179.45 179.76 2aas h PHE 8 N 0.91 -0.60 -0.35 -1.35 3.57 -1.19 0.16 116.94 118.09 2aas h PHE 8 Ca 0.23 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2aas h PHE 8 Cb 0.08 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 2aas h PHE 8 CO -0.00 -0.30 -0.11 0.93 -2.23 0.00 0.00 178.31 176.60 2aas h GLU 9 N -0.25 -0.03 0.22 1.11 5.08 -0.63 0.17 114.58 120.24 2aas h GLU 9 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2aas h GLU 9 Cb 0.44 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2aas h GLU 9 CO -0.35 -0.02 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.45 2aas h ARG 10 N -0.03 -0.29 -0.54 2.33 2.43 -0.65 -0.52 114.38 117.13 2aas h ARG 10 Ca 0.17 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2aas h ARG 10 Cb 0.29 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2aas h ARG 10 CO -0.38 -0.05 -0.01 1.96 -1.51 0.00 0.00 179.97 179.98 2aas h GLN 11 N -0.49 0.93 0.00 0.20 4.20 -0.82 -3.41 115.11 115.72 2aas h GLN 11 Ca -0.03 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.26 2aas h GLN 11 Cb 0.37 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2aas h GLN 11 CO 0.05 0.92 -1.51 0.72 -0.67 0.00 0.00 178.83 178.35 2aas n HIS 12 N -4.19 0.00 -2.61 2.96 8.25 0.57 -4.43 115.22 115.77 2aas n HIS 12 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 2aas n HIS 12 Cb 0.33 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.18 4.33 -0.36 -0.41 -1.94 -0.21 0.63 119.30 119.17 2aas s MET 13 Ca -0.12 1.46 0.10 0.00 -1.71 0.00 0.00 55.69 55.42 2aas s MET 13 Cb 0.04 -3.60 0.45 0.00 2.01 0.00 0.00 34.83 33.72 2aas s MET 13 CO 0.20 -0.49 1.10 -0.25 -0.01 0.00 0.00 175.02 175.57 2aas n ASP 14 N 5.67 3.79 -0.10 3.03 9.92 -0.37 -4.91 116.55 133.57 2aas n ASP 14 Ca 0.11 -3.35 0.06 0.00 -0.53 0.00 0.00 54.79 51.08 2aas n ASP 14 Cb 0.47 -0.44 0.39 0.00 -0.64 0.00 0.00 41.12 40.89 2aas n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2aas h SER 15 N 2.56 0.57 -0.23 -2.24 0.02 -1.76 -0.96 113.55 111.51 2aas h SER 15 Ca 0.19 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2aas h SER 15 Cb 1.17 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2aas h SER 15 CO 0.68 0.39 0.16 0.77 -1.14 0.00 0.00 176.83 177.69 2aas h SER 16 N 0.67 0.11 -3.88 3.07 4.64 -1.91 -3.43 113.55 112.82 2aas h SER 16 Ca 0.24 -0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.88 2aas h SER 16 Cb 0.13 -0.02 -0.21 0.00 -0.31 0.00 0.00 62.40 61.99 2aas h SER 16 CO -0.07 0.07 -0.78 0.42 -0.87 0.00 0.00 176.83 175.60 2aas s THR 17 N -5.16 2.96 -0.06 2.95 -4.23 -0.37 -5.05 115.64 106.69 2aas s THR 17 Ca -0.06 -1.14 0.13 0.00 -1.18 0.00 0.00 61.69 59.44 2aas s THR 17 Cb 0.18 -2.27 -0.20 0.00 1.34 0.00 0.00 72.50 71.55 2aas s THR 17 CO 0.70 0.32 0.75 0.77 -0.54 0.00 0.00 174.62 176.62 2aas h SER 18 N 4.44 0.00 -4.98 3.99 4.64 -1.83 -3.43 113.55 116.38 2aas h SER 18 Ca -0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 2aas h SER 18 Cb 1.16 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.09 2aas h SER 18 CO 0.49 0.89 0.21 0.00 -0.87 0.00 0.00 176.83 177.54 2aas s ALA 19 N -2.69 -1.71 -0.56 5.18 0.00 -1.26 -4.80 121.76 115.92 2aas s ALA 19 Ca -0.04 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 2aas s ALA 19 Cb 0.08 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2aas s ALA 19 CO 0.82 -0.53 1.75 0.00 0.00 0.00 0.00 175.76 177.79 2aas s ALA 20 N -2.25 2.42 0.56 0.00 0.00 -1.26 -4.90 121.76 116.34 2aas s ALA 20 Ca -0.06 -0.53 0.31 0.00 0.00 0.00 0.00 51.96 51.68 2aas s ALA 20 Cb -0.00 -4.22 1.80 0.00 0.00 0.00 0.00 23.12 20.70 2aas s ALA 20 CO 0.00 -3.49 2.23 0.66 0.00 0.00 0.00 175.76 175.17 2aas h SER 21 N 13.72 0.00 -5.32 0.00 4.64 -1.99 -3.45 113.55 121.14 2aas h SER 21 Ca -0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.91 2aas h SER 21 Cb 1.15 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 2aas h SER 21 CO 1.18 0.02 -0.47 -0.94 -0.87 0.00 0.00 176.83 175.76 2aas s SER 22 N -6.06 0.17 0.67 4.97 1.04 -1.26 -5.03 113.70 108.19 2aas s SER 22 Ca -0.05 -1.00 0.37 0.00 0.48 0.00 0.00 55.95 55.75 2aas s SER 22 Cb 0.14 0.37 2.02 0.00 0.10 0.00 0.00 66.02 68.65 2aas s SER 22 CO 0.54 -0.81 2.14 0.77 0.98 0.00 0.00 173.24 176.86 2aas h SER 23 N 2.71 0.00 0.00 7.02 4.64 -1.89 -2.36 113.55 123.67 2aas h SER 23 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2aas h SER 23 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2aas h SER 23 CO 0.54 0.00 -0.23 0.59 -0.87 0.00 0.00 176.83 176.85 2aas n ASN 24 N -2.97 1.86 -0.12 4.97 4.13 -1.26 -2.24 115.26 119.62 2aas n ASN 24 Ca -0.02 -3.12 -0.04 0.00 1.68 0.00 0.00 54.58 53.07 2aas n ASN 24 Cb 0.23 -0.42 0.03 0.00 -1.54 0.00 0.00 39.78 38.08 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 0.30 -0.04 -0.61 3.10 3.20 -1.77 -2.37 116.97 118.78 2aas h TYR 25 Ca -0.01 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.00 2aas h TYR 25 Cb 1.09 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 2aas h TYR 25 CO 0.21 -0.09 0.41 0.00 -1.64 0.00 0.00 178.16 177.05 2aas h ASN 27 N 0.37 -1.17 -0.03 0.00 4.21 -1.67 0.81 115.58 118.11 2aas h ASN 27 Ca 0.29 0.18 -0.07 0.00 1.21 0.00 0.00 56.30 57.91 2aas h ASN 27 Cb 0.63 0.51 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 2aas h ASN 27 CO -0.08 -0.36 -0.25 -0.61 -1.29 0.00 0.00 177.43 174.84 2aas h GLN 28 N -0.35 0.22 -0.88 0.81 -0.00 -1.71 -3.35 115.11 109.86 2aas h GLN 28 Ca 0.13 -0.20 -0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2aas h GLN 28 Cb 0.57 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.05 2aas h GLN 28 CO -0.47 0.88 0.55 1.98 0.00 0.00 0.00 178.83 181.77 2aas h MET 29 N -0.36 1.19 -0.73 1.69 4.05 -1.17 -1.65 114.93 117.94 2aas h MET 29 Ca -0.02 -0.10 0.10 0.00 -0.28 0.00 0.00 59.70 59.41 2aas h MET 29 Cb 0.94 -0.26 -0.08 0.00 -0.80 0.00 0.00 31.60 31.41 2aas h MET 29 CO 0.05 0.82 0.36 0.52 0.23 0.00 0.00 176.91 178.89 2aas h MET 30 N 1.21 0.57 0.07 0.39 2.86 -1.01 -2.57 114.93 116.45 2aas h MET 30 Ca 0.32 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2aas h MET 30 Cb -0.08 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.45 2aas h MET 30 CO -0.06 0.38 -0.04 0.87 1.06 0.00 0.00 176.91 179.12 2aas h LYS 31 N 0.59 -0.10 -0.90 1.72 1.79 -1.44 -2.88 116.57 115.35 2aas h LYS 31 Ca 0.37 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.92 2aas h LYS 31 Cb 0.43 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.03 2aas h LYS 31 CO -0.30 -0.06 0.56 0.77 -1.08 0.00 0.00 179.45 179.34 2aas h SER 32 N -0.10 0.86 -0.04 0.86 0.02 -1.06 -1.07 113.55 113.02 2aas h SER 32 Ca -0.01 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2aas h SER 32 Cb 0.08 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2aas h SER 32 CO 0.02 0.53 0.01 0.54 -1.14 0.00 0.00 176.83 176.79 2aas n ARG 33 N -4.62 1.16 0.00 3.45 3.00 -1.04 -4.90 116.66 113.71 2aas n ARG 33 Ca 0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 2aas n ARG 33 Cb 0.22 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.30 2aas n ARG 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2aas n ASN 34 N 0.16 0.00 -0.28 0.55 4.13 -0.41 -4.73 115.26 114.69 2aas n ASN 34 Ca 0.02 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.40 2aas n ASN 34 Cb 0.39 -0.29 0.36 0.00 -1.54 0.00 0.00 39.78 38.70 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 0.68 -2.83 3.41 3.38 -1.68 -1.45 115.31 116.82 2aas h LEU 35 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2aas h LEU 35 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2aas h LEU 35 CO 0.00 0.34 0.00 0.35 0.09 0.00 0.00 178.44 179.22 2aas n THR 36 N -4.57 0.99 0.91 0.22 -2.24 -1.24 -4.52 114.28 103.83 2aas n THR 36 Ca 0.18 -1.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.04 2aas n THR 36 Cb 0.46 0.50 0.44 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.96 0.41 0.04 -0.78 5.02 -0.55 -3.12 118.16 120.15 2aas n LYS 37 Ca 0.17 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2aas n LYS 37 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.08 0.52 -4.11 4.39 9.92 -1.26 -5.09 116.55 119.84 2aas n ASP 38 Ca 0.11 0.13 -0.11 0.00 -0.53 0.00 0.00 54.79 54.39 2aas n ASP 38 Cb 0.07 -0.11 -0.11 0.00 -0.64 0.00 0.00 41.12 40.34 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aas s ARG 39 N -2.00 0.66 -0.26 -1.24 1.04 -1.18 -4.99 118.95 110.98 2aas s ARG 39 Ca 0.00 -1.05 -0.29 0.00 -1.04 0.00 0.00 55.73 53.35 2aas s ARG 39 Cb 0.00 -0.18 -0.02 0.00 -2.04 0.00 0.00 34.95 32.71 2aas s ARG 39 CO 0.00 -0.00 1.66 0.00 -0.04 0.00 0.00 175.30 176.91 2aas s LYS 41 N 4.96 4.30 0.14 0.00 2.20 -1.26 -4.97 119.74 125.10 2aas s LYS 41 Ca 0.73 2.09 -0.24 0.00 -0.36 0.00 0.00 55.97 58.19 2aas s LYS 41 Cb -0.24 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2aas s LYS 41 CO 0.31 -0.48 1.63 -1.35 -0.36 0.00 0.00 175.35 175.10 2aas h PRO 42 N 6.98 -0.31 -3.49 4.03 0.11 -1.94 -3.43 132.00 133.94 2aas h PRO 42 Ca -0.42 0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.50 2aas h PRO 42 Cb 1.21 0.07 -0.28 0.00 0.11 0.00 0.00 31.00 32.11 2aas h PRO 42 CO 0.87 -0.21 -0.61 0.54 -0.21 0.00 0.00 178.00 178.39 2aas s VAL 43 N -6.05 -0.01 0.18 3.15 0.11 -1.26 -1.27 120.40 115.25 2aas s VAL 43 Ca -0.15 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 58.69 2aas s VAL 43 Cb 0.11 -0.15 0.06 0.00 -1.53 0.00 0.00 36.38 34.87 2aas s VAL 43 CO 0.67 0.01 0.62 0.21 -3.33 0.00 0.00 175.10 173.27 2aas s ASN 44 N 0.16 -0.51 -0.08 3.54 2.47 -0.67 -5.05 114.94 114.80 2aas s ASN 44 Ca -0.01 -0.11 0.02 0.00 0.42 0.00 0.00 52.86 53.19 2aas s ASN 44 Cb -0.02 0.62 0.01 0.00 -1.45 0.00 0.00 41.25 40.41 2aas s ASN 44 CO -0.00 -1.03 -0.14 -0.89 -3.72 0.00 0.00 177.10 171.32 2aas s THR 45 N -3.78 1.27 0.15 -5.21 2.01 -1.26 -0.10 115.64 108.72 2aas s THR 45 Ca 0.03 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 2aas s THR 45 Cb -0.02 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.27 2aas s THR 45 CO -0.10 0.39 0.42 -0.36 -0.69 0.00 0.00 174.62 174.28 2aas s PHE 46 N 0.74 3.48 -0.23 4.92 0.08 0.14 -4.19 117.98 122.92 2aas s PHE 46 Ca -0.13 0.68 0.02 0.00 0.12 0.00 0.00 56.93 57.62 2aas s PHE 46 Cb -0.16 -2.10 0.05 0.00 -0.57 0.00 0.00 43.02 40.25 2aas s PHE 46 CO 0.03 0.41 -0.10 0.08 -0.10 0.00 0.00 175.22 175.54 2aas s VAL 47 N -1.65 1.86 -0.62 -0.44 1.01 0.21 0.58 120.40 121.35 2aas s VAL 47 Ca 0.41 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2aas s VAL 47 Cb -0.12 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2aas s VAL 47 CO 0.23 0.04 2.81 1.41 0.00 0.00 0.00 175.10 179.59 2aas n HIS 48 N 4.57 1.62 -4.40 5.22 8.25 -0.02 -1.24 115.22 129.22 2aas n HIS 48 Ca -0.14 -2.11 -0.20 0.00 -0.26 0.00 0.00 57.72 55.00 2aas n HIS 48 Cb 0.44 -1.55 -0.10 0.00 1.12 0.00 0.00 29.99 29.90 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 -1.08 1.62 0.54 -0.41 0.41 -1.26 -4.69 118.70 113.83 2aas s GLU 49 Ca 0.59 -1.91 -0.13 0.00 -0.41 0.00 0.00 54.97 53.11 2aas s GLU 49 Cb 0.32 -0.52 -0.06 0.00 -1.78 0.00 0.00 34.13 32.09 2aas s GLU 49 CO -0.16 -0.31 0.97 -1.54 -0.49 0.00 0.00 175.26 173.73 2aas s SER 50 N -3.44 6.44 0.13 -0.19 1.04 -1.26 -3.63 113.70 112.79 2aas s SER 50 Ca 0.34 1.44 -0.19 0.00 0.48 0.00 0.00 55.95 58.02 2aas s SER 50 Cb 0.07 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 2aas s SER 50 CO 0.15 -0.68 1.78 0.25 0.98 0.00 0.00 173.24 175.72 2aas h LEU 51 N 0.43 0.24 -0.77 2.42 5.85 -1.99 -2.33 115.31 119.16 2aas h LEU 51 Ca -0.46 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.39 2aas h LEU 51 Cb 1.19 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.07 2aas h LEU 51 CO 0.62 0.18 0.35 0.00 -0.34 0.00 0.00 178.44 179.25 2aas h ALA 52 N 1.10 1.11 0.00 1.25 0.00 -1.99 0.24 119.26 120.96 2aas h ALA 52 Ca 0.09 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2aas h ALA 52 Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2aas h ALA 52 CO -0.04 -0.14 -0.29 0.22 0.00 0.00 0.00 179.25 179.01 2aas h ASP 53 N 0.53 0.00 0.49 0.00 3.58 -1.87 -2.53 116.42 116.62 2aas h ASP 53 Ca 0.41 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.57 2aas h ASP 53 Cb 0.58 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 2aas h ASP 53 CO -0.36 0.29 -1.67 0.58 -2.88 0.00 0.00 179.24 175.19 2aas h VAL 54 N 0.00 0.91 -0.82 2.25 2.07 -0.47 -3.21 116.25 116.98 2aas h VAL 54 Ca -0.00 -2.73 0.18 0.00 0.82 0.00 0.00 66.70 64.96 2aas h VAL 54 Cb 0.59 2.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 2aas h VAL 54 CO 0.04 0.58 0.55 1.56 0.02 0.00 0.00 177.57 180.32 2aas h GLN 55 N 0.01 0.38 -0.01 1.57 4.20 -0.39 -1.61 115.11 119.26 2aas h GLN 55 Ca -0.27 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2aas h GLN 55 Cb 2.00 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.69 2aas h GLN 55 CO 0.09 0.25 0.02 0.00 -0.67 0.00 0.00 178.83 178.52 2aas h ALA 56 N 1.63 1.26 0.01 3.87 0.00 -1.46 -1.88 119.26 122.70 2aas h ALA 56 Ca 0.41 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 2aas h ALA 56 Cb 1.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2aas h ALA 56 CO -0.14 -0.02 -0.95 0.28 0.00 0.00 0.00 179.25 178.42 2aas h VAL 57 N 0.00 1.44 0.00 0.00 2.07 -1.42 -3.11 116.25 115.22 2aas h VAL 57 Ca 0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 2aas h VAL 57 Cb 0.04 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2aas h VAL 57 CO -0.00 0.75 0.04 0.00 0.02 0.00 0.00 177.57 178.39 2aas n SER 59 N -2.92 3.83 0.00 0.00 7.64 -1.18 -4.94 113.62 116.05 2aas n SER 59 Ca -0.03 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.53 2aas n SER 59 Cb 0.11 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2aas n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aas n GLN 60 N 0.67 0.00 -3.01 1.43 6.02 -0.28 -5.02 117.38 117.20 2aas n GLN 60 Ca 0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 2aas n GLN 60 Cb 0.68 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.89 2aas n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2aas s LYS 61 N 3.26 3.71 0.17 -1.09 2.20 -0.29 -4.90 119.74 122.80 2aas s LYS 61 Ca 0.00 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 2aas s LYS 61 Cb 0.00 -3.82 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 2aas s LYS 61 CO 0.00 -0.83 1.19 1.21 -0.36 0.00 0.00 175.35 176.56 2aas s ASN 62 N 1.84 7.11 0.20 1.43 3.84 -1.26 -0.01 114.94 128.08 2aas s ASN 62 Ca 0.29 2.20 -0.02 0.00 0.21 0.00 0.00 52.86 55.54 2aas s ASN 62 Cb -0.14 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.92 2aas s ASN 62 CO 0.16 -0.36 0.15 0.68 -2.79 0.00 0.00 177.10 174.94 2aas s VAL 63 N 0.02 0.01 -0.07 -5.21 -7.23 0.02 -4.92 120.40 103.01 2aas s VAL 63 Ca 0.53 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 2aas s VAL 63 Cb -0.32 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 2aas s VAL 63 CO 0.36 -0.02 0.48 0.00 -0.31 0.00 0.00 175.10 175.60 2aas s ALA 64 N -4.14 3.53 0.70 1.32 0.00 -1.26 -2.56 121.76 119.35 2aas s ALA 64 Ca 0.37 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 2aas s ALA 64 Cb 0.06 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.61 2aas s ALA 64 CO 0.11 0.14 1.14 0.00 0.00 0.00 0.00 175.76 177.15 2aas h LYS 66 N -0.26 0.22 0.00 0.00 1.57 -1.97 0.21 116.57 116.34 2aas h LYS 66 Ca -0.47 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 2aas h LYS 66 Cb 1.26 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2aas h LYS 66 CO 0.52 0.14 -0.12 -2.95 -0.57 0.00 0.00 179.45 176.47 2aas h ASN 67 N 0.22 0.00 0.00 0.86 -1.07 -2.04 -3.47 115.58 110.08 2aas h ASN 67 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.91 2aas h ASN 67 Cb 1.68 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.93 2aas h ASN 67 CO -0.15 0.12 0.00 0.61 0.07 0.00 0.00 177.43 178.08 2aas n GLY 68 N 0.63 1.15 3.72 9.14 0.00 0.74 -5.11 105.19 115.46 2aas n GLY 68 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.17 4.29 -0.01 1.61 -0.21 -1.25 -4.69 119.66 119.24 2aas s GLN 69 Ca 0.00 2.18 0.02 0.00 0.02 0.00 0.00 55.36 57.58 2aas s GLN 69 Cb 0.00 -3.20 0.08 0.00 1.00 0.00 0.00 33.01 30.89 2aas s GLN 69 CO 0.00 -0.46 0.90 0.25 -2.12 0.00 0.00 175.29 173.86 2aas n THR 70 N 3.59 0.20 -1.96 -0.19 -2.24 -1.26 -0.22 114.28 112.20 2aas n THR 70 Ca 0.11 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 2aas n THR 70 Cb 0.41 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.12 5.45 -4.54 3.42 6.94 -1.26 -4.65 115.26 120.50 2aas n ASN 71 Ca 0.03 -3.76 -0.29 0.00 -0.02 0.00 0.00 54.58 50.54 2aas n ASN 71 Cb 0.19 -0.48 -0.10 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.21 0.19 -0.11 0.00 1.51 -0.58 -0.80 117.35 116.34 2aas s TYR 73 Ca 0.20 -0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.12 2aas s TYR 73 Cb -0.11 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 2aas s TYR 73 CO 0.12 -0.03 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.39 2aas s GLN 74 N -0.29 3.23 0.24 -0.62 0.74 0.98 -2.14 119.66 121.80 2aas s GLN 74 Ca -0.02 -0.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.65 2aas s GLN 74 Cb -0.02 -2.85 -0.09 0.00 1.10 0.00 0.00 33.01 31.15 2aas s GLN 74 CO -0.00 0.54 1.02 -1.54 -0.55 0.00 0.00 175.29 174.76 2aas s SER 75 N -0.44 7.46 0.56 6.67 1.04 -1.12 -1.13 113.70 126.73 2aas s SER 75 Ca 0.08 2.08 0.33 0.00 0.48 0.00 0.00 55.95 58.92 2aas s SER 75 Cb -0.12 -2.62 1.60 0.00 0.10 0.00 0.00 66.02 64.98 2aas s SER 75 CO 0.02 0.00 2.09 1.88 0.98 0.00 0.00 173.24 178.21 2aas h TYR 76 N 4.17 0.00 -3.41 5.02 0.05 -1.95 -3.43 116.97 117.42 2aas h TYR 76 Ca -0.46 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.67 2aas h TYR 76 Cb 1.21 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.80 2aas h TYR 76 CO 0.60 0.06 -0.71 -1.54 -1.05 0.00 0.00 178.16 175.52 2aas s SER 77 N -5.77 4.58 0.41 3.88 1.04 -1.26 -5.11 113.70 111.48 2aas s SER 77 Ca -0.02 -0.35 -0.24 0.00 0.48 0.00 0.00 55.95 55.82 2aas s SER 77 Cb 0.11 -0.94 -0.08 0.00 0.10 0.00 0.00 66.02 65.21 2aas s SER 77 CO 0.53 0.16 1.15 0.42 0.98 0.00 0.00 173.24 176.48 2aas s THR 78 N -1.32 3.25 0.24 2.02 -4.23 -1.26 -4.59 115.64 109.75 2aas s THR 78 Ca 0.23 1.01 0.10 0.00 -1.18 0.00 0.00 61.69 61.85 2aas s THR 78 Cb -0.11 -3.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 2aas s THR 78 CO 0.15 0.05 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.06 2aas s MET 79 N -2.42 1.53 -0.53 3.99 -1.94 0.87 -4.84 119.30 115.96 2aas s MET 79 Ca 0.59 -1.66 -0.27 0.00 -1.71 0.00 0.00 55.69 52.64 2aas s MET 79 Cb -0.29 -1.57 0.03 0.00 2.01 0.00 0.00 34.83 35.02 2aas s MET 79 CO 0.36 0.30 1.06 0.45 -0.01 0.00 0.00 175.02 177.17 2aas s SER 80 N -3.28 6.46 -0.02 3.03 0.15 -1.26 -1.91 113.70 116.87 2aas s SER 80 Ca 0.26 0.04 0.07 0.00 0.70 0.00 0.00 55.95 57.01 2aas s SER 80 Cb -0.04 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2aas s SER 80 CO 0.11 -1.28 -0.23 0.27 1.20 0.00 0.00 173.24 173.32 2aas s ILE 81 N 4.34 1.80 -0.36 6.45 -0.00 0.68 -0.84 121.20 133.26 2aas s ILE 81 Ca 0.39 -0.96 -0.00 0.00 -0.00 0.00 0.00 60.65 60.07 2aas s ILE 81 Cb -0.09 -1.50 0.09 0.00 -0.00 0.00 0.00 42.46 40.96 2aas s ILE 81 CO 0.25 0.51 0.10 -0.89 -0.00 0.00 0.00 174.94 174.91 2aas s THR 82 N -0.45 2.89 0.00 8.37 2.01 0.20 -0.28 115.64 128.38 2aas s THR 82 Ca 0.06 -1.97 -0.30 0.00 0.31 0.00 0.00 61.69 59.79 2aas s THR 82 Cb -0.10 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 2aas s THR 82 CO -0.00 -0.51 1.11 -0.62 -0.69 0.00 0.00 174.62 173.91 2aas s ASP 83 N 1.41 7.19 -0.43 3.53 2.15 -0.03 0.28 116.67 130.77 2aas s ASP 83 Ca 0.05 1.81 -0.03 0.00 0.43 0.00 0.00 52.55 54.81 2aas s ASP 83 Cb -0.21 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 39.96 2aas s ASP 83 CO -0.05 -0.42 0.23 0.00 -0.17 0.00 0.00 175.17 174.76 2aas s ARG 85 N 1.06 3.37 0.34 0.00 6.06 -0.25 -1.67 118.95 127.86 2aas s ARG 85 Ca 0.09 -0.67 -0.28 0.00 -2.50 0.00 0.00 55.73 52.37 2aas s ARG 85 Cb -0.23 -2.75 -0.12 0.00 0.06 0.00 0.00 34.95 31.91 2aas s ARG 85 CO -0.04 0.06 1.36 -1.91 -2.50 0.00 0.00 175.30 172.28 2aas n GLU 86 N 3.98 2.29 -3.30 5.12 4.07 -0.39 0.57 120.64 132.97 2aas n GLU 86 Ca -0.18 0.80 -0.25 0.00 -0.06 0.00 0.00 57.16 57.47 2aas n GLU 86 Cb 0.52 -2.44 -0.02 0.00 -0.06 0.00 0.00 31.44 29.45 2aas n GLU 86 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2aas s THR 87 N -0.97 5.07 0.26 6.31 -4.23 -0.51 -4.71 115.64 116.85 2aas s THR 87 Ca 0.56 -0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 60.76 2aas s THR 87 Cb -0.55 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 69.72 2aas s THR 87 CO 0.61 -0.52 1.88 1.23 -0.54 0.00 0.00 174.62 177.28 2aas h GLY 88 N 0.96 1.45 -3.12 3.99 0.00 -1.96 -2.94 103.07 101.45 2aas h GLY 88 Ca -0.49 -0.45 -0.20 0.00 0.00 0.00 0.00 47.33 46.18 2aas h GLY 88 CO 0.63 0.33 0.26 -1.14 0.00 0.00 0.00 176.54 176.62 2aas n SER 89 N -4.53 5.24 -4.38 0.19 3.41 -1.26 -4.85 113.62 107.44 2aas n SER 89 Ca 0.14 -2.75 -0.39 0.00 -0.26 0.00 0.00 58.87 55.61 2aas n SER 89 Cb 0.16 -0.94 -0.12 0.00 -0.26 0.00 0.00 64.21 63.06 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 90 N 0.61 5.49 0.31 4.04 0.15 -1.11 -4.62 113.70 118.56 2aas s SER 90 Ca 0.20 -0.76 0.05 0.00 0.70 0.00 0.00 55.95 56.14 2aas s SER 90 Cb 0.16 -1.97 -0.06 0.00 -1.71 0.00 0.00 66.02 62.44 2aas s SER 90 CO 0.01 -0.26 0.02 -0.54 1.20 0.00 0.00 173.24 173.67 2aas s LYS 91 N 1.55 1.62 -0.12 5.44 1.02 -1.20 -4.85 119.74 123.20 2aas s LYS 91 Ca 0.03 -1.88 -0.13 0.00 0.02 0.00 0.00 55.97 54.01 2aas s LYS 91 Cb -0.18 -0.96 -0.05 0.00 -0.52 0.00 0.00 37.83 36.13 2aas s LYS 91 CO 0.05 -0.12 0.29 -0.47 -0.92 0.00 0.00 175.35 174.18 2aas s TYR 92 N -3.21 3.54 -0.42 3.18 5.04 -1.26 -0.95 117.35 123.28 2aas s TYR 92 Ca 0.34 0.67 0.07 0.00 -2.44 0.00 0.00 57.07 55.71 2aas s TYR 92 Cb 0.07 -2.26 0.54 0.00 0.35 0.00 0.00 41.96 40.67 2aas s TYR 92 CO 0.14 0.41 1.47 -0.35 -1.34 0.00 0.00 175.55 175.88 2aas n PRO 93 N 2.91 3.12 -2.84 4.97 -0.04 -1.26 -4.99 135.00 136.87 2aas n PRO 93 Ca -0.14 -2.18 -0.40 0.00 -0.04 0.00 0.00 63.50 60.74 2aas n PRO 93 Cb 0.52 -1.97 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 2aas n PRO 93 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aas n ASN 94 N 0.07 6.67 -4.63 3.54 6.94 -0.13 -5.00 115.26 122.72 2aas n ASN 94 Ca 0.27 -3.57 -0.43 0.00 -0.02 0.00 0.00 54.58 50.83 2aas n ASN 94 Cb 1.06 -1.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 2aas n ASN 94 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aas s ALA 96 N 5.19 2.85 0.10 0.00 0.00 -1.26 -4.57 121.76 124.07 2aas s ALA 96 Ca 0.74 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.75 2aas s ALA 96 Cb -0.27 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 2aas s ALA 96 CO 0.30 -0.16 -0.20 0.71 0.00 0.00 0.00 175.76 176.41 2aas s TYR 97 N 1.02 1.75 -0.31 0.00 1.51 -1.26 -1.43 117.35 118.62 2aas s TYR 97 Ca 0.00 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 55.46 2aas s TYR 97 Cb -0.15 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 2aas s TYR 97 CO 0.00 0.19 0.55 0.21 -1.11 0.00 0.00 175.55 175.40 2aas s LYS 98 N -1.87 3.82 -0.21 -0.62 2.36 0.19 -4.65 119.74 118.77 2aas s LYS 98 Ca 0.06 0.10 -0.08 0.00 -2.55 0.00 0.00 55.97 53.50 2aas s LYS 98 Cb -0.10 -3.74 -0.04 0.00 -1.05 0.00 0.00 37.83 32.90 2aas s LYS 98 CO 0.04 -0.55 0.08 0.99 1.55 0.00 0.00 175.35 177.46 2aas s THR 99 N 2.45 4.77 -0.20 3.43 2.01 -0.95 -1.09 115.64 126.06 2aas s THR 99 Ca 0.21 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 2aas s THR 99 Cb -0.15 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2aas s THR 99 CO 0.12 0.41 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.46 2aas s THR 100 N 0.80 2.80 -0.29 -0.82 2.01 -0.33 -4.66 115.64 115.16 2aas s THR 100 Ca 0.04 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 2aas s THR 100 Cb -0.13 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 2aas s THR 100 CO 0.02 0.48 0.57 -1.58 -0.69 0.00 0.00 174.62 173.41 2aas s GLN 101 N 1.37 3.96 -0.02 4.92 2.00 -1.26 -0.85 119.66 129.79 2aas s GLN 101 Ca 0.05 0.28 0.02 0.00 -2.00 0.00 0.00 55.36 53.71 2aas s GLN 101 Cb -0.14 -3.70 0.00 0.00 0.80 0.00 0.00 33.01 29.98 2aas s GLN 101 CO -0.07 -0.47 -0.06 0.00 -0.50 0.00 0.00 175.29 174.19 2aas s ALA 102 N 2.44 0.61 -0.56 1.58 0.00 0.62 -5.02 121.76 121.43 2aas s ALA 102 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 2aas s ALA 102 Cb -0.15 -0.22 0.15 0.00 0.00 0.00 0.00 23.12 22.90 2aas s ALA 102 CO 0.10 0.11 0.39 1.21 0.00 0.00 0.00 175.76 177.57 2aas s ASN 103 N 0.11 5.41 0.17 0.00 3.84 -1.26 -0.23 114.94 122.98 2aas s ASN 103 Ca -0.01 -2.51 0.01 0.00 0.21 0.00 0.00 52.86 50.56 2aas s ASN 103 Cb -0.06 -1.89 -0.05 0.00 -0.55 0.00 0.00 41.25 38.70 2aas s ASN 103 CO -0.00 -0.47 0.02 -0.54 -2.79 0.00 0.00 177.10 173.32 2aas s LYS 104 N 0.44 1.10 0.44 0.43 1.02 -0.80 -4.80 119.74 117.57 2aas s LYS 104 Ca 0.13 -1.54 -0.20 0.00 0.02 0.00 0.00 55.97 54.38 2aas s LYS 104 Cb -0.21 -0.15 -0.10 0.00 -0.52 0.00 0.00 37.83 36.84 2aas s LYS 104 CO -0.04 -0.18 0.95 -1.01 -0.92 0.00 0.00 175.35 174.15 2aas s HIS 105 N -3.75 3.33 0.06 3.18 3.76 -1.26 -0.09 115.29 120.52 2aas s HIS 105 Ca 0.25 1.58 0.09 0.00 -0.15 0.00 0.00 55.06 56.83 2aas s HIS 105 Cb 0.07 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 2aas s HIS 105 CO 0.05 -0.14 -0.26 0.96 -0.85 0.00 0.00 174.74 174.50 2aas s ILE 106 N -2.24 2.11 -0.31 0.60 -4.36 -1.26 0.70 121.20 116.44 2aas s ILE 106 Ca 0.61 -1.45 -0.07 0.00 -0.26 0.00 0.00 60.65 59.48 2aas s ILE 106 Cb -0.09 -1.82 0.02 0.00 1.25 0.00 0.00 42.46 41.81 2aas s ILE 106 CO 0.16 0.28 0.10 -0.63 0.24 0.00 0.00 174.94 175.09 2aas s ILE 107 N -0.87 4.02 -0.11 8.37 1.01 0.89 -2.80 121.20 131.71 2aas s ILE 107 Ca 0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 2aas s ILE 107 Cb -0.10 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 2aas s ILE 107 CO 0.03 -0.01 0.01 0.68 0.00 0.00 0.00 174.94 175.65 2aas s VAL 108 N 1.49 4.36 -0.39 2.92 -7.23 -0.91 -1.40 120.40 119.23 2aas s VAL 108 Ca 0.02 -0.22 -0.25 0.00 -1.81 0.00 0.00 61.98 59.72 2aas s VAL 108 Cb -0.18 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 33.91 2aas s VAL 108 CO 0.03 0.57 0.88 0.00 -0.31 0.00 0.00 175.10 176.27 2aas s ALA 109 N -0.52 3.37 -0.01 1.32 0.00 0.18 -1.53 121.76 124.57 2aas s ALA 109 Ca 0.09 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2aas s ALA 109 Cb -0.12 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2aas s ALA 109 CO 0.02 -1.67 -0.08 0.00 0.00 0.00 0.00 175.76 174.03 2aas s GLU 111 N -1.25 1.81 0.24 0.00 2.02 -0.53 -4.87 118.70 116.12 2aas s GLU 111 Ca 0.16 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.03 2aas s GLU 111 Cb -0.11 0.54 0.00 0.00 0.10 0.00 0.00 34.13 34.66 2aas s GLU 111 CO 0.06 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 174.90 2aas n GLY 112 N -0.54 -2.50 2.95 -1.39 0.00 -1.26 -0.43 105.19 102.02 2aas n GLY 112 Ca -0.06 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.78 0.34 0.51 1.61 2.47 -1.26 -3.38 114.94 112.44 2aas s ASN 113 Ca 0.00 0.31 -0.21 0.00 0.42 0.00 0.00 52.86 53.38 2aas s ASN 113 Cb 0.00 1.01 -0.06 0.00 -1.45 0.00 0.00 41.25 40.75 2aas s ASN 113 CO 0.00 -0.29 1.18 -2.16 -3.72 0.00 0.00 177.10 172.11 2aas s PRO 114 N 2.51 3.47 -0.07 0.43 0.04 -1.26 -5.05 135.00 135.08 2aas s PRO 114 Ca 0.09 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 2aas s PRO 114 Cb -0.15 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 2aas s PRO 114 CO -0.14 -0.79 1.99 -0.47 0.04 0.00 0.00 177.00 177.63 2aas s TYR 115 N -1.59 1.36 0.04 0.56 5.04 -1.22 -4.97 117.35 116.56 2aas s TYR 115 Ca 0.69 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 55.30 2aas s TYR 115 Cb -0.29 -4.11 -0.02 0.00 0.35 0.00 0.00 41.96 37.89 2aas s TYR 115 CO 0.34 -4.82 -0.09 0.14 -1.34 0.00 0.00 175.55 169.78 2aas s VAL 116 N 5.62 0.64 0.05 3.14 -7.23 0.43 -4.89 120.40 118.16 2aas s VAL 116 Ca 0.90 -0.96 -0.32 0.00 -1.81 0.00 0.00 61.98 59.79 2aas s VAL 116 Cb -0.38 -0.66 -0.11 0.00 0.56 0.00 0.00 36.38 35.80 2aas s VAL 116 CO 0.38 -0.25 1.87 -2.65 -0.31 0.00 0.00 175.10 174.14 2aas n PRO 117 N 1.72 2.62 -0.07 4.82 -0.02 -1.26 -1.46 135.00 141.34 2aas n PRO 117 Ca -0.21 0.96 -0.06 0.00 -2.02 0.00 0.00 63.50 62.17 2aas n PRO 117 Cb 0.55 -2.85 -0.13 0.00 -0.02 0.00 0.00 33.50 31.06 2aas n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2aas n VAL 118 N 4.99 1.00 -3.94 -1.45 0.24 0.64 -4.34 118.33 115.48 2aas n VAL 118 Ca 0.20 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.34 61.75 2aas n VAL 118 Cb 0.36 -0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.46 0.24 -0.07 6.34 3.76 -1.04 -3.38 115.29 118.68 2aas s HIS 119 Ca -0.08 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2aas s HIS 119 Cb 0.05 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 2aas s HIS 119 CO 0.66 -0.41 -0.08 0.12 -0.85 0.00 0.00 174.74 174.18 2aas s PHE 120 N -3.14 2.89 0.00 1.40 2.19 -1.26 -0.65 117.98 119.41 2aas s PHE 120 Ca -0.00 -0.04 0.00 0.00 0.33 0.00 0.00 56.93 57.22 2aas s PHE 120 Cb 0.02 -1.71 0.00 0.00 -1.31 0.00 0.00 43.02 40.02 2aas s PHE 120 CO -0.07 0.28 0.00 -3.47 1.83 0.00 0.00 175.22 173.79 2aas n ASP 121 N 2.30 0.00 -4.21 6.13 2.03 -0.50 -4.93 116.55 117.38 2aas n ASP 121 Ca -0.18 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.94 2aas n ASP 121 Cb 0.53 -0.01 -0.12 0.00 -0.72 0.00 0.00 41.12 40.80 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 -2.09 1.35 -0.21 -1.67 0.00 -1.18 -5.00 121.76 112.96 2aas s ALA 122 Ca 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 2aas s ALA 122 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2aas s ALA 122 CO 0.00 0.17 -0.01 -1.12 0.00 0.00 0.00 175.76 174.80 2aas s SER 123 N -1.98 4.72 0.00 0.00 0.01 -1.26 -0.08 113.70 115.11 2aas s SER 123 Ca 0.02 -0.25 0.28 0.00 1.31 0.00 0.00 55.95 57.32 2aas s SER 123 Cb -0.08 -1.81 0.98 0.00 0.21 0.00 0.00 66.02 65.32 2aas s SER 123 CO 0.03 0.04 1.71 0.52 0.41 0.00 0.00 173.24 175.94