#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 3.44 0.96 1.64 2.12 -1.26 -4.99 118.70 120.61 2aas s GLU 2 Ca 0.00 -1.28 -0.12 0.00 0.36 0.00 0.00 54.97 53.93 2aas s GLU 2 Cb 0.00 -4.78 0.17 0.00 0.26 0.00 0.00 34.13 29.78 2aas s GLU 2 CO 0.00 -1.90 1.09 0.95 -0.54 0.00 0.00 175.26 174.86 2aas s THR 3 N 3.73 2.41 0.22 -1.70 -4.23 -1.26 -4.79 115.64 110.01 2aas s THR 3 Ca 0.33 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 2aas s THR 3 Cb -0.07 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.50 2aas s THR 3 CO -0.03 -0.17 1.68 0.00 -0.54 0.00 0.00 174.62 175.56 2aas h ALA 4 N -1.85 0.72 -0.76 3.99 0.00 -1.94 0.41 119.26 119.83 2aas h ALA 4 Ca -0.51 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2aas h ALA 4 Cb 1.29 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2aas h ALA 4 CO 0.52 -0.35 0.50 0.00 0.00 0.00 0.00 179.25 179.92 2aas h ALA 5 N 1.54 0.97 -0.75 0.00 0.00 -1.79 -1.81 119.26 117.43 2aas h ALA 5 Ca 0.34 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2aas h ALA 5 Cb 0.54 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2aas h ALA 5 CO -0.48 0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.46 2aas h ALA 6 N 1.29 0.97 -0.57 0.00 0.00 -1.59 -2.48 119.26 116.88 2aas h ALA 6 Ca 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aas h ALA 6 Cb -0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 2aas h ALA 6 CO -0.07 0.57 0.35 0.87 0.00 0.00 0.00 179.25 180.97 2aas h LYS 7 N 1.07 0.76 -0.06 0.00 1.57 -0.27 0.16 116.57 119.80 2aas h LYS 7 Ca 0.25 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2aas h LYS 7 Cb 0.18 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2aas h LYS 7 CO -0.03 0.54 -0.30 0.35 -0.57 0.00 0.00 179.45 179.45 2aas h PHE 8 N 0.76 -0.81 -0.37 -1.35 3.04 -1.19 0.22 116.94 117.24 2aas h PHE 8 Ca 0.20 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.26 2aas h PHE 8 Cb -0.03 0.37 -0.07 0.00 2.56 0.00 0.00 35.95 38.77 2aas h PHE 8 CO -0.03 -0.38 -0.10 0.93 -2.02 0.00 0.00 178.31 176.71 2aas h GLU 9 N -0.41 -0.00 -0.03 1.11 5.08 -0.91 0.29 114.58 119.70 2aas h GLU 9 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2aas h GLU 9 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2aas h GLU 9 CO -0.29 -0.00 0.02 -0.09 -1.00 0.00 0.00 179.01 177.64 2aas h ARG 10 N -0.00 0.05 -0.23 2.33 1.12 -0.45 -1.15 114.38 116.03 2aas h ARG 10 Ca 0.18 -0.01 -0.19 0.00 -1.11 0.00 0.00 59.98 58.85 2aas h ARG 10 Cb 0.28 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 2aas h ARG 10 CO -0.39 0.14 -0.61 1.96 -3.11 0.00 0.00 179.97 177.96 2aas h GLN 11 N -0.06 0.80 0.00 0.20 4.20 -0.36 -3.43 115.11 116.46 2aas h GLN 11 Ca 0.01 -0.55 -0.14 0.00 0.06 0.00 0.00 58.65 58.03 2aas h GLN 11 Cb 0.11 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2aas h GLN 11 CO -0.00 1.17 -1.51 0.72 -0.67 0.00 0.00 178.83 178.54 2aas n HIS 12 N -3.98 0.00 -2.45 2.96 8.25 1.00 -4.50 115.22 116.50 2aas n HIS 12 Ca -0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 2aas n HIS 12 Cb 0.66 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.17 4.39 -0.28 -0.41 -1.94 -0.44 0.33 119.30 118.77 2aas s MET 13 Ca -0.12 1.70 0.16 0.00 -1.71 0.00 0.00 55.69 55.72 2aas s MET 13 Cb 0.04 -3.47 0.49 0.00 2.01 0.00 0.00 34.83 33.89 2aas s MET 13 CO 0.18 -0.36 1.13 -0.25 -0.01 0.00 0.00 175.02 175.72 2aas n ASP 14 N 4.65 2.92 -0.26 3.03 9.92 -0.51 -4.90 116.55 131.40 2aas n ASP 14 Ca 0.10 -2.75 0.12 0.00 -0.53 0.00 0.00 54.79 51.73 2aas n ASP 14 Cb 0.46 -0.43 0.38 0.00 -0.64 0.00 0.00 41.12 40.90 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 2.46 0.64 -0.68 -2.24 0.02 -1.76 -0.19 113.55 111.81 2aas h SER 15 Ca 0.07 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.17 2aas h SER 15 Cb 1.36 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 2aas h SER 15 CO 0.43 0.33 0.46 0.28 -1.14 0.00 0.00 176.83 177.18 2aas h SER 16 N 0.68 0.40 -4.08 3.07 0.02 -1.92 -3.43 113.55 108.29 2aas h SER 16 Ca 0.44 0.01 -0.69 0.00 -0.84 0.00 0.00 61.79 60.71 2aas h SER 16 Cb 0.72 -0.07 -0.24 0.00 0.14 0.00 0.00 62.40 62.94 2aas h SER 16 CO -0.20 0.23 -0.79 0.42 -1.14 0.00 0.00 176.83 175.35 2aas s THR 17 N -5.42 2.91 0.07 -2.27 -4.23 -0.08 -5.03 115.64 101.58 2aas s THR 17 Ca -0.08 -0.78 0.09 0.00 -1.18 0.00 0.00 61.69 59.74 2aas s THR 17 Cb 0.20 -2.13 -0.17 0.00 1.34 0.00 0.00 72.50 71.75 2aas s THR 17 CO 0.76 0.59 1.27 0.28 -0.54 0.00 0.00 174.62 176.98 2aas h SER 18 N 5.42 0.00 -4.83 3.99 0.02 -1.83 -3.43 113.55 112.89 2aas h SER 18 Ca -0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 2aas h SER 18 Cb 1.15 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.49 2aas h SER 18 CO 0.50 0.92 0.26 0.00 -1.14 0.00 0.00 176.83 177.37 2aas s ALA 19 N -2.74 -1.80 -0.74 3.77 0.00 -1.26 -4.81 121.76 114.17 2aas s ALA 19 Ca 0.01 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.08 2aas s ALA 19 Cb 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 2aas s ALA 19 CO 0.81 -0.36 2.07 0.00 0.00 0.00 0.00 175.76 178.28 2aas s ALA 20 N -1.18 1.63 -1.97 0.00 0.00 -1.26 -4.84 121.76 114.13 2aas s ALA 20 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2aas s ALA 20 Cb -0.00 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.66 2aas s ALA 20 CO 0.08 -4.70 0.70 -1.13 0.00 0.00 0.00 175.76 170.72 2aas n SER 21 N 14.76 0.02 -3.61 0.00 3.41 -1.26 -4.68 113.62 122.26 2aas n SER 21 Ca 0.35 -1.43 -0.15 0.00 -0.26 0.00 0.00 58.87 57.38 2aas n SER 21 Cb 0.49 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 2aas n SER 21 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2aas s SER 22 N -1.26 -0.66 0.54 4.04 0.15 -1.26 -5.01 113.70 110.25 2aas s SER 22 Ca 0.00 1.06 0.29 0.00 0.70 0.00 0.00 55.95 58.00 2aas s SER 22 Cb 0.00 1.02 1.57 0.00 -1.71 0.00 0.00 66.02 66.90 2aas s SER 22 CO 0.00 -0.38 1.86 0.77 1.20 0.00 0.00 173.24 176.69 2aas h SER 23 N 4.26 0.00 0.00 5.45 4.64 -1.85 -2.30 113.55 123.75 2aas h SER 23 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2aas h SER 23 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 2aas h SER 23 CO 0.21 0.00 -0.29 0.59 -0.87 0.00 0.00 176.83 176.47 2aas n ASN 24 N -2.66 1.62 -0.12 4.97 4.13 -1.26 -2.00 115.26 119.94 2aas n ASN 24 Ca -0.02 -2.94 -0.06 0.00 1.68 0.00 0.00 54.58 53.24 2aas n ASN 24 Cb 0.23 -0.39 -0.00 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 0.29 -0.74 -0.03 3.10 3.20 -1.73 -2.10 116.97 118.95 2aas h TYR 25 Ca -0.02 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2aas h TYR 25 Cb 1.16 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.81 2aas h TYR 25 CO 0.19 -0.35 0.03 0.00 -1.64 0.00 0.00 178.16 176.40 2aas h ASN 27 N 0.00 -1.72 0.22 0.00 4.21 -1.61 0.22 115.58 116.90 2aas h ASN 27 Ca 0.01 0.24 -0.30 0.00 1.21 0.00 0.00 56.30 57.47 2aas h ASN 27 Cb 0.08 0.73 0.03 0.00 -1.12 0.00 0.00 38.32 38.05 2aas h ASN 27 CO -0.00 -0.38 -1.29 -0.61 -1.29 0.00 0.00 177.43 173.86 2aas h GLN 28 N -0.34 0.49 -0.64 0.81 -0.00 -1.73 -3.36 115.11 110.33 2aas h GLN 28 Ca 0.11 -0.82 0.02 0.00 -0.00 0.00 0.00 58.65 57.96 2aas h GLN 28 Cb 0.58 0.30 -0.04 0.00 0.00 0.00 0.00 27.48 28.33 2aas h GLN 28 CO -0.62 1.39 0.41 0.52 0.00 0.00 0.00 178.83 180.53 2aas h MET 29 N 0.02 0.80 -0.15 1.69 2.86 -1.28 -1.52 114.93 117.35 2aas h MET 29 Ca -0.22 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 2aas h MET 29 Cb 2.01 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 2aas h MET 29 CO 0.24 0.53 -0.02 1.98 1.06 0.00 0.00 176.91 180.70 2aas h MET 30 N 0.83 0.21 -0.06 1.72 4.05 -0.72 -1.51 114.93 119.46 2aas h MET 30 Ca 0.25 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 2aas h MET 30 Cb -0.04 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2aas h MET 30 CO -0.08 0.26 -0.09 0.87 0.23 0.00 0.00 176.91 178.10 2aas h LYS 31 N 0.21 0.16 -0.48 0.39 1.57 -1.53 -2.38 116.57 114.51 2aas h LYS 31 Ca 0.05 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2aas h LYS 31 Cb 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2aas h LYS 31 CO 0.01 0.66 0.32 1.03 -0.57 0.00 0.00 179.45 180.89 2aas h SER 32 N -0.33 0.43 -0.50 0.86 0.87 -0.68 0.05 113.55 114.24 2aas h SER 32 Ca 0.00 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 2aas h SER 32 Cb 0.65 -0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 62.38 2aas h SER 32 CO 0.02 0.29 0.27 -1.14 -0.53 0.00 0.00 176.83 175.74 2aas n ARG 33 N -4.48 2.18 0.00 2.24 3.00 -0.63 -4.94 116.66 114.03 2aas n ARG 33 Ca 0.06 -1.75 0.00 0.00 -0.00 0.00 0.00 57.85 56.15 2aas n ARG 33 Cb 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.88 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 -0.21 0.00 -0.11 6.15 3.02 0.00 -4.74 115.26 119.38 2aas n ASN 34 Ca 0.29 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.90 2aas n ASN 34 Cb 1.06 -0.85 0.39 0.00 -0.61 0.00 0.00 39.78 39.78 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2aas h LEU 35 N 0.00 0.57 -2.09 3.41 3.38 -1.61 -2.64 115.31 116.33 2aas h LEU 35 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aas h LEU 35 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2aas h LEU 35 CO 0.00 0.39 0.00 0.35 0.09 0.00 0.00 178.44 179.27 2aas n THR 36 N -4.47 0.20 1.14 0.22 -2.24 -1.23 -4.60 114.28 103.30 2aas n THR 36 Ca 0.08 -0.60 0.09 0.00 -2.27 0.00 0.00 64.05 61.35 2aas n THR 36 Cb 0.18 1.29 0.55 0.00 -2.10 0.00 0.00 70.33 70.25 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 1.41 0.55 0.01 -0.78 5.02 -0.99 -2.81 118.16 120.56 2aas n LYS 37 Ca 0.16 0.02 -0.03 0.00 -2.02 0.00 0.00 58.31 56.44 2aas n LYS 37 Cb 0.60 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 2aas n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2aas n ASP 38 N -1.04 0.88 -4.05 4.39 2.03 -1.26 -5.07 116.55 112.43 2aas n ASP 38 Ca 0.13 0.13 -0.07 0.00 0.52 0.00 0.00 54.79 55.50 2aas n ASP 38 Cb 0.08 -0.30 -0.10 0.00 -0.72 0.00 0.00 41.12 40.08 2aas n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aas s ARG 39 N -2.12 0.60 -0.32 -0.67 1.70 -1.12 -5.06 118.95 111.95 2aas s ARG 39 Ca -0.05 -1.11 -0.29 0.00 -0.47 0.00 0.00 55.73 53.81 2aas s ARG 39 Cb 0.01 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 2aas s ARG 39 CO 0.08 -0.12 1.68 0.00 -1.08 0.00 0.00 175.30 175.86 2aas s LYS 41 N 5.29 4.25 0.19 0.00 2.20 -1.26 -4.96 119.74 125.46 2aas s LYS 41 Ca 0.74 2.21 -0.11 0.00 -0.36 0.00 0.00 55.97 58.45 2aas s LYS 41 Cb -0.21 -3.34 0.20 0.00 -1.51 0.00 0.00 37.83 32.97 2aas s LYS 41 CO 0.33 -0.57 1.78 -1.35 -0.36 0.00 0.00 175.35 175.17 2aas h PRO 42 N 7.27 0.50 -2.37 4.03 0.11 -1.96 -3.42 132.00 136.16 2aas h PRO 42 Ca -0.42 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 2aas h PRO 42 Cb 1.20 -0.11 -0.23 0.00 0.11 0.00 0.00 31.00 31.97 2aas h PRO 42 CO 0.90 0.33 -0.10 0.54 -0.21 0.00 0.00 178.00 179.46 2aas s VAL 43 N -6.11 -0.01 0.04 3.15 0.11 -1.26 -0.61 120.40 115.71 2aas s VAL 43 Ca -0.13 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.67 2aas s VAL 43 Cb 0.15 -0.78 0.07 0.00 -1.53 0.00 0.00 36.38 34.29 2aas s VAL 43 CO 0.74 0.01 0.63 0.21 -3.33 0.00 0.00 175.10 173.36 2aas s ASN 44 N 0.78 -0.60 -0.12 3.54 2.47 -0.62 -5.04 114.94 115.36 2aas s ASN 44 Ca -0.04 0.37 0.01 0.00 0.42 0.00 0.00 52.86 53.61 2aas s ASN 44 Cb -0.05 0.56 -0.01 0.00 -1.45 0.00 0.00 41.25 40.29 2aas s ASN 44 CO -0.06 -0.76 -0.14 -0.89 -3.72 0.00 0.00 177.10 171.52 2aas s THR 45 N -2.35 2.95 0.11 -5.21 2.01 -1.26 -0.85 115.64 111.04 2aas s THR 45 Ca -0.06 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 2aas s THR 45 Cb -0.00 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2aas s THR 45 CO -0.01 0.53 0.30 -0.36 -0.69 0.00 0.00 174.62 174.40 2aas s PHE 46 N 0.25 3.50 -0.26 4.92 0.08 0.80 -4.17 117.98 123.10 2aas s PHE 46 Ca -0.10 0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.35 2aas s PHE 46 Cb -0.16 -1.87 0.07 0.00 -0.57 0.00 0.00 43.02 40.49 2aas s PHE 46 CO 0.06 0.50 -0.03 0.08 -0.10 0.00 0.00 175.22 175.73 2aas s VAL 47 N -1.62 1.55 -1.11 -0.44 1.01 0.15 0.50 120.40 120.45 2aas s VAL 47 Ca 0.38 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 2aas s VAL 47 Cb -0.12 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.41 2aas s VAL 47 CO 0.27 -0.22 2.65 1.41 0.00 0.00 0.00 175.10 179.21 2aas n HIS 48 N 4.64 2.18 -4.24 5.22 8.25 0.21 -1.43 115.22 130.06 2aas n HIS 48 Ca -0.09 -2.60 -0.13 0.00 -0.26 0.00 0.00 57.72 54.63 2aas n HIS 48 Cb 0.44 -1.84 -0.10 0.00 1.12 0.00 0.00 29.99 29.60 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 -0.55 1.10 0.68 -0.41 0.41 -1.26 -4.57 118.70 114.10 2aas s GLU 49 Ca 0.59 -1.52 -0.15 0.00 -0.41 0.00 0.00 54.97 53.48 2aas s GLU 49 Cb 0.23 -0.29 0.01 0.00 -1.78 0.00 0.00 34.13 32.31 2aas s GLU 49 CO -0.11 -0.11 1.13 -1.54 -0.49 0.00 0.00 175.26 174.14 2aas s SER 50 N -3.17 4.88 0.23 -0.19 1.04 -1.26 -3.62 113.70 111.61 2aas s SER 50 Ca 0.23 2.07 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 2aas s SER 50 Cb 0.06 -2.56 0.32 0.00 0.10 0.00 0.00 66.02 63.94 2aas s SER 50 CO 0.03 -1.79 1.81 0.25 0.98 0.00 0.00 173.24 174.53 2aas h LEU 51 N -0.09 0.63 -0.73 2.42 5.85 -1.99 -1.91 115.31 119.49 2aas h LEU 51 Ca -0.47 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.42 2aas h LEU 51 Cb 1.26 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 2aas h LEU 51 CO 0.53 0.39 0.30 0.00 -0.34 0.00 0.00 178.44 179.32 2aas h ALA 52 N 1.41 1.01 -0.40 1.25 0.00 -1.98 0.35 119.26 120.89 2aas h ALA 52 Ca 0.35 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 2aas h ALA 52 Cb 0.27 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2aas h ALA 52 CO -0.21 -0.17 0.11 -0.44 0.00 0.00 0.00 179.25 178.53 2aas h ASP 53 N 0.47 0.54 0.67 0.00 3.32 -1.74 -2.24 116.42 117.44 2aas h ASP 53 Ca 0.39 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 57.11 2aas h ASP 53 Cb 0.54 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 2aas h ASP 53 CO -0.36 0.54 -1.47 0.58 -1.72 0.00 0.00 179.24 176.80 2aas h VAL 54 N 0.58 0.99 -0.58 -1.35 2.07 -0.89 -3.19 116.25 113.88 2aas h VAL 54 Ca 0.14 -2.75 0.11 0.00 0.82 0.00 0.00 66.70 65.02 2aas h VAL 54 Cb 0.21 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 2aas h VAL 54 CO -0.01 0.56 0.39 1.56 0.02 0.00 0.00 177.57 180.10 2aas h GLN 55 N 0.00 0.29 0.00 1.57 4.20 -0.13 -0.83 115.11 120.22 2aas h GLN 55 Ca -0.20 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2aas h GLN 55 Cb 1.88 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.59 2aas h GLN 55 CO 0.09 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 2aas h ALA 56 N 1.71 1.00 0.05 3.87 0.00 -1.39 -1.97 119.26 122.52 2aas h ALA 56 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 2aas h ALA 56 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2aas h ALA 56 CO -0.06 0.00 -1.19 0.28 0.00 0.00 0.00 179.25 178.28 2aas h VAL 57 N 0.00 1.52 0.00 0.00 2.07 -1.28 -3.23 116.25 115.33 2aas h VAL 57 Ca 0.00 -3.20 -0.00 0.00 0.82 0.00 0.00 66.70 64.32 2aas h VAL 57 Cb 0.06 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2aas h VAL 57 CO 0.00 0.89 -0.01 0.00 0.02 0.00 0.00 177.57 178.48 2aas n SER 59 N -3.23 3.47 0.00 0.00 3.41 -1.22 -4.94 113.62 111.10 2aas n SER 59 Ca -0.03 -3.49 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 2aas n SER 59 Cb 0.10 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 -0.82 3.65 -3.02 4.33 6.02 -0.61 -5.08 117.38 121.84 2aas n GLN 60 Ca 0.38 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.96 2aas n GLN 60 Cb 1.21 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 32.42 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 3.48 4.20 0.31 -1.09 2.47 -1.22 -4.86 119.74 123.03 2aas s LYS 61 Ca 0.00 0.75 -0.30 0.00 -1.56 0.00 0.00 55.97 54.87 2aas s LYS 61 Cb 0.00 -3.61 -0.11 0.00 -1.46 0.00 0.00 37.83 32.65 2aas s LYS 61 CO 0.00 -0.35 1.57 1.21 0.16 0.00 0.00 175.35 177.94 2aas s ASN 62 N 1.28 6.38 0.21 1.43 3.84 -1.26 -1.44 114.94 125.37 2aas s ASN 62 Ca 0.31 2.96 0.00 0.00 0.21 0.00 0.00 52.86 56.34 2aas s ASN 62 Cb -0.16 -2.64 -0.04 0.00 -0.55 0.00 0.00 41.25 37.86 2aas s ASN 62 CO 0.10 -0.90 0.09 0.68 -2.79 0.00 0.00 177.10 174.28 2aas s VAL 63 N -0.20 0.29 -0.02 -5.21 -7.23 0.60 -4.93 120.40 103.69 2aas s VAL 63 Ca 0.61 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 2aas s VAL 63 Cb -0.47 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 2aas s VAL 63 CO 0.50 -0.12 0.66 0.00 -0.31 0.00 0.00 175.10 175.83 2aas s ALA 64 N -3.95 3.41 0.67 1.32 0.00 -1.26 -2.67 121.76 119.29 2aas s ALA 64 Ca 0.35 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 2aas s ALA 64 Cb 0.07 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2aas s ALA 64 CO 0.10 0.04 1.09 0.00 0.00 0.00 0.00 175.76 176.99 2aas h LYS 66 N -0.21 0.00 -0.00 0.00 3.11 -1.96 0.35 116.57 117.86 2aas h LYS 66 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2aas h LYS 66 Cb 1.23 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 2aas h LYS 66 CO 0.55 0.00 -0.01 0.27 -2.81 0.00 0.00 179.45 177.44 2aas n ASN 67 N -2.92 0.01 0.00 4.20 6.94 -1.26 -4.93 115.26 117.30 2aas n ASN 67 Ca -0.01 0.47 0.00 0.00 -0.02 0.00 0.00 54.58 55.03 2aas n ASN 67 Cb 0.19 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 2aas n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aas n GLY 68 N 1.50 0.89 3.73 4.83 0.00 0.12 -5.10 105.19 111.16 2aas n GLY 68 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2aas n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aas s GLN 69 N -0.35 4.65 -0.81 1.61 -0.44 -1.21 -4.63 119.66 118.48 2aas s GLN 69 Ca 0.00 1.53 -0.03 0.00 -2.50 0.00 0.00 55.36 54.36 2aas s GLN 69 Cb 0.00 -3.36 0.23 0.00 -1.64 0.00 0.00 33.01 28.24 2aas s GLN 69 CO 0.00 0.13 2.26 -2.37 0.50 0.00 0.00 175.29 175.81 2aas n THR 70 N 2.86 4.10 -1.78 -0.34 5.66 -1.26 -0.03 114.28 123.49 2aas n THR 70 Ca 0.03 -4.18 0.06 0.00 -3.05 0.00 0.00 64.05 56.91 2aas n THR 70 Cb 0.48 -1.49 0.16 0.00 -1.55 0.00 0.00 70.33 67.94 2aas n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2aas n ASN 71 N 0.21 1.55 -4.46 1.09 2.04 -1.26 -4.88 115.26 109.56 2aas n ASN 71 Ca 0.52 -3.40 -0.30 0.00 -0.44 0.00 0.00 54.58 50.97 2aas n ASN 71 Cb 0.33 -0.47 -0.12 0.00 -2.53 0.00 0.00 39.78 37.00 2aas n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2aas s TYR 73 N -1.05 0.08 0.11 0.00 2.02 0.27 -0.29 117.35 118.49 2aas s TYR 73 Ca 0.16 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.77 2aas s TYR 73 Cb -0.10 -0.06 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 2aas s TYR 73 CO 0.08 -0.08 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.78 2aas s GLN 74 N -0.53 2.28 0.22 -0.62 0.74 -0.52 -1.30 119.66 119.92 2aas s GLN 74 Ca -0.06 -0.99 -0.15 0.00 0.05 0.00 0.00 55.36 54.21 2aas s GLN 74 Cb -0.04 -2.37 -0.08 0.00 1.10 0.00 0.00 33.01 31.62 2aas s GLN 74 CO -0.00 0.51 0.63 -1.54 -0.55 0.00 0.00 175.29 174.33 2aas s SER 75 N -2.36 6.82 0.00 6.67 1.04 -0.64 -3.41 113.70 121.82 2aas s SER 75 Ca 0.24 1.16 0.28 0.00 0.48 0.00 0.00 55.95 58.11 2aas s SER 75 Cb -0.11 -2.32 1.08 0.00 0.10 0.00 0.00 66.02 64.77 2aas s SER 75 CO 0.16 -0.02 1.76 -1.22 0.98 0.00 0.00 173.24 174.90 2aas n TYR 76 N 0.33 0.00 -4.26 5.02 4.01 -1.26 -4.51 117.16 116.49 2aas n TYR 76 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 2aas n TYR 76 Cb 0.52 -0.07 -0.09 0.00 -0.31 0.00 0.00 39.34 39.39 2aas n TYR 76 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2aas s SER 77 N -2.25 1.21 0.24 7.72 1.04 -1.26 -5.08 113.70 115.33 2aas s SER 77 Ca 0.33 -1.64 -0.25 0.00 0.48 0.00 0.00 55.95 54.88 2aas s SER 77 Cb 0.20 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 2aas s SER 77 CO 0.42 -0.99 0.84 0.42 0.98 0.00 0.00 173.24 174.91 2aas s THR 78 N -3.67 4.33 0.08 2.02 -4.23 -1.26 -4.38 115.64 108.52 2aas s THR 78 Ca 0.40 1.68 0.08 0.00 -1.18 0.00 0.00 61.69 62.66 2aas s THR 78 Cb 0.04 -4.05 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 2aas s THR 78 CO 0.22 0.32 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.38 2aas s MET 79 N -1.66 1.18 -0.38 3.99 -1.94 -0.07 -4.83 119.30 115.59 2aas s MET 79 Ca 0.43 -1.05 -0.28 0.00 -1.71 0.00 0.00 55.69 53.08 2aas s MET 79 Cb -0.20 -1.37 -0.03 0.00 2.01 0.00 0.00 34.83 35.24 2aas s MET 79 CO 0.25 0.33 1.94 0.45 -0.01 0.00 0.00 175.02 177.98 2aas s SER 80 N -1.61 5.55 0.02 3.03 0.15 -1.26 -2.47 113.70 117.10 2aas s SER 80 Ca 0.06 1.19 0.09 0.00 0.70 0.00 0.00 55.95 57.99 2aas s SER 80 Cb -0.09 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2aas s SER 80 CO 0.03 -2.00 -0.26 0.27 1.20 0.00 0.00 173.24 172.48 2aas s ILE 81 N 8.08 2.11 -0.44 6.45 -5.25 -0.05 -0.62 121.20 131.48 2aas s ILE 81 Ca 0.83 -1.26 -0.00 0.00 -0.99 0.00 0.00 60.65 59.22 2aas s ILE 81 Cb -0.22 -1.78 0.12 0.00 2.95 0.00 0.00 42.46 43.53 2aas s ILE 81 CO 0.31 0.46 0.21 -0.89 -1.79 0.00 0.00 174.94 173.24 2aas s THR 82 N -0.72 3.01 -0.11 8.37 2.01 0.18 -0.70 115.64 127.68 2aas s THR 82 Ca 0.11 -2.44 -0.26 0.00 0.31 0.00 0.00 61.69 59.41 2aas s THR 82 Cb -0.10 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2aas s THR 82 CO 0.01 -0.71 0.87 -1.81 -0.69 0.00 0.00 174.62 172.28 2aas s ASP 83 N 1.14 7.08 -0.09 3.53 1.01 -0.10 -0.14 116.67 129.10 2aas s ASP 83 Ca 0.11 1.32 0.00 0.00 0.71 0.00 0.00 52.55 54.70 2aas s ASP 83 Cb -0.22 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.25 2aas s ASP 83 CO -0.05 -0.34 -0.07 0.00 0.21 0.00 0.00 175.17 174.92 2aas s ARG 85 N 1.41 1.47 0.24 0.00 3.52 -0.31 -1.58 118.95 123.69 2aas s ARG 85 Ca -0.02 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.60 2aas s ARG 85 Cb -0.13 -1.44 -0.09 0.00 -1.56 0.00 0.00 34.95 31.73 2aas s ARG 85 CO -0.04 0.39 1.27 -2.00 -0.81 0.00 0.00 175.30 174.11 2aas s GLU 86 N -0.51 4.43 0.25 5.12 2.12 0.22 0.15 118.70 130.49 2aas s GLU 86 Ca 0.07 2.03 0.09 0.00 0.36 0.00 0.00 54.97 57.52 2aas s GLU 86 Cb -0.07 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2aas s GLU 86 CO -0.00 -0.15 0.04 -0.08 -0.54 0.00 0.00 175.26 174.52 2aas s THR 87 N -0.35 3.69 0.39 -1.70 -1.32 -0.47 -4.78 115.64 111.10 2aas s THR 87 Ca 0.53 -1.76 0.18 0.00 -1.21 0.00 0.00 61.69 59.43 2aas s THR 87 Cb -0.36 -2.97 0.38 0.00 -1.51 0.00 0.00 72.50 68.04 2aas s THR 87 CO 0.42 -0.35 1.77 1.23 -2.21 0.00 0.00 174.62 175.48 2aas h GLY 88 N 1.88 1.28 -2.01 6.08 0.00 -1.97 -2.56 103.07 105.75 2aas h GLY 88 Ca -0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 2aas h GLY 88 CO 0.60 -0.15 0.04 -1.14 0.00 0.00 0.00 176.54 175.90 2aas n SER 89 N -4.65 2.82 -4.54 0.19 3.41 -1.26 -4.73 113.62 104.86 2aas n SER 89 Ca 0.26 -2.11 -0.43 0.00 -0.26 0.00 0.00 58.87 56.33 2aas n SER 89 Cb 0.87 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 2aas n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2aas s SER 90 N 0.71 6.82 -0.66 4.04 1.04 -0.97 -4.24 113.70 120.44 2aas s SER 90 Ca 0.04 -2.37 -0.04 0.00 0.48 0.00 0.00 55.95 54.06 2aas s SER 90 Cb 0.03 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.81 2aas s SER 90 CO 0.01 -1.12 0.49 -0.54 0.98 0.00 0.00 173.24 173.06 2aas s LYS 91 N 3.56 2.70 -0.13 4.02 1.02 0.09 -4.84 119.74 126.16 2aas s LYS 91 Ca 0.48 -2.57 -0.24 0.00 0.02 0.00 0.00 55.97 53.66 2aas s LYS 91 Cb 0.01 -3.81 -0.11 0.00 -0.52 0.00 0.00 37.83 33.40 2aas s LYS 91 CO 0.01 -1.19 0.73 0.98 -0.92 0.00 0.00 175.35 174.96 2aas n TYR 92 N 3.46 0.65 1.80 3.18 9.36 -1.26 -0.17 117.16 134.17 2aas n TYR 92 Ca 0.09 0.61 0.15 0.00 3.32 0.00 0.00 57.90 62.07 2aas n TYR 92 Cb 0.39 -1.19 0.81 0.00 -0.63 0.00 0.00 39.34 38.72 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 1.49 1.10 -2.87 2.98 -0.04 -1.26 -5.01 135.00 131.38 2aas n PRO 93 Ca 0.14 -0.25 -0.44 0.00 -0.04 0.00 0.00 63.50 62.91 2aas n PRO 93 Cb 0.01 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 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 -2.07 6.90 0.02 3.54 2.47 0.76 -4.95 114.94 121.60 2aas s ASN 94 Ca 0.43 -2.60 -0.21 0.00 0.42 0.00 0.00 52.86 50.90 2aas s ASN 94 Cb 0.21 -2.43 -0.06 0.00 -1.45 0.00 0.00 41.25 37.53 2aas s ASN 94 CO 0.38 -0.92 0.61 0.00 -3.72 0.00 0.00 177.10 173.45 2aas s ALA 96 N -0.34 2.29 0.02 0.00 0.00 -1.26 -4.53 121.76 117.94 2aas s ALA 96 Ca 0.32 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.35 2aas s ALA 96 Cb -0.19 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2aas s ALA 96 CO 0.18 0.23 -0.15 0.71 0.00 0.00 0.00 175.76 176.73 2aas s TYR 97 N 0.42 1.34 -0.46 0.00 2.02 -1.26 -1.37 117.35 118.04 2aas s TYR 97 Ca -0.15 -0.30 -0.27 0.00 -0.37 0.00 0.00 57.07 55.97 2aas s TYR 97 Cb -0.17 -0.82 0.03 0.00 -0.40 0.00 0.00 41.96 40.59 2aas s TYR 97 CO 0.07 0.02 1.04 0.15 -1.57 0.00 0.00 175.55 175.25 2aas s LYS 98 N -0.77 3.66 -0.14 -0.62 1.02 0.12 -4.54 119.74 118.48 2aas s LYS 98 Ca 0.04 0.41 -0.03 0.00 0.02 0.00 0.00 55.97 56.42 2aas s LYS 98 Cb -0.07 -3.90 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 2aas s LYS 98 CO 0.00 -1.28 -0.06 0.99 -0.92 0.00 0.00 175.35 174.09 2aas s THR 99 N 4.08 3.73 -0.08 2.17 2.01 -0.85 -1.17 115.64 125.54 2aas s THR 99 Ca 0.43 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 62.03 2aas s THR 99 Cb -0.09 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.82 2aas s THR 99 CO 0.28 0.51 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.67 2aas s THR 100 N 0.22 1.48 -0.28 -0.82 2.01 0.03 -4.60 115.64 113.67 2aas s THR 100 Ca -0.03 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 2aas s THR 100 Cb -0.14 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 2aas s THR 100 CO 0.03 0.43 0.41 -1.58 -0.69 0.00 0.00 174.62 173.23 2aas s GLN 101 N 0.56 3.97 0.03 4.92 -0.44 -1.26 -0.92 119.66 126.51 2aas s GLN 101 Ca -0.16 0.06 0.02 0.00 -2.50 0.00 0.00 55.36 52.78 2aas s GLN 101 Cb -0.17 -3.68 -0.02 0.00 -1.64 0.00 0.00 33.01 27.51 2aas s GLN 101 CO 0.06 -0.34 -0.07 0.00 0.50 0.00 0.00 175.29 175.44 2aas s ALA 102 N 2.15 0.52 -0.41 1.58 0.00 0.13 -5.01 121.76 120.70 2aas s ALA 102 Ca 0.16 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 2aas s ALA 102 Cb -0.16 0.02 0.09 0.00 0.00 0.00 0.00 23.12 23.07 2aas s ALA 102 CO 0.10 0.00 0.24 -0.80 0.00 0.00 0.00 175.76 175.30 2aas s ASN 103 N -1.25 5.51 0.16 0.00 0.01 -1.26 -0.87 114.94 117.24 2aas s ASN 103 Ca -0.08 -1.64 0.03 0.00 -0.71 0.00 0.00 52.86 50.47 2aas s ASN 103 Cb -0.08 -1.94 -0.05 0.00 0.41 0.00 0.00 41.25 39.59 2aas s ASN 103 CO 0.00 -0.54 -0.06 -0.54 -1.51 0.00 0.00 177.10 174.46 2aas s LYS 104 N 1.35 1.09 0.41 -0.60 1.02 -1.03 -4.80 119.74 117.18 2aas s LYS 104 Ca 0.04 -1.49 -0.25 0.00 0.02 0.00 0.00 55.97 54.29 2aas s LYS 104 Cb -0.23 -0.49 -0.08 0.00 -0.52 0.00 0.00 37.83 36.51 2aas s LYS 104 CO 0.00 -0.01 1.16 -1.01 -0.92 0.00 0.00 175.35 174.57 2aas s HIS 105 N -3.45 3.03 0.11 3.18 3.76 -1.26 -0.89 115.29 119.76 2aas s HIS 105 Ca 0.20 1.55 0.10 0.00 -0.15 0.00 0.00 55.06 56.76 2aas s HIS 105 Cb 0.04 -3.37 -0.04 0.00 1.11 0.00 0.00 32.58 30.32 2aas s HIS 105 CO 0.02 -1.31 -0.24 0.96 -0.85 0.00 0.00 174.74 173.31 2aas s ILE 106 N -1.47 2.40 -0.16 0.60 -4.36 -1.26 0.22 121.20 117.18 2aas s ILE 106 Ca 0.59 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 2aas s ILE 106 Cb -0.29 -2.05 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 2aas s ILE 106 CO 0.37 0.16 -0.15 -0.63 0.24 0.00 0.00 174.94 174.93 2aas s ILE 107 N -1.02 2.72 0.02 8.37 1.01 0.36 -1.62 121.20 131.04 2aas s ILE 107 Ca 0.14 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.12 2aas s ILE 107 Cb -0.10 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2aas s ILE 107 CO 0.06 0.51 -0.21 0.68 0.00 0.00 0.00 174.94 175.98 2aas s VAL 108 N 0.81 1.70 -0.11 2.92 -7.23 -0.42 -1.03 120.40 117.04 2aas s VAL 108 Ca -0.05 -1.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.80 2aas s VAL 108 Cb -0.15 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 2aas s VAL 108 CO 0.00 0.32 0.62 0.00 -0.31 0.00 0.00 175.10 175.72 2aas s ALA 109 N -0.69 3.43 -0.02 1.32 0.00 0.13 -0.56 121.76 125.37 2aas s ALA 109 Ca 0.08 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2aas s ALA 109 Cb -0.09 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 2aas s ALA 109 CO 0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 175.76 175.42 2aas s GLU 111 N -0.26 1.46 0.45 0.00 0.41 0.08 -4.90 118.70 115.96 2aas s GLU 111 Ca 0.04 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 53.60 2aas s GLU 111 Cb -0.08 0.51 0.00 0.00 -1.78 0.00 0.00 34.13 32.79 2aas s GLU 111 CO 0.00 -0.62 0.00 0.41 -0.49 0.00 0.00 175.26 174.56 2aas n GLY 112 N -0.36 -1.81 2.81 -1.39 0.00 -1.26 -0.55 105.19 102.63 2aas n GLY 112 Ca -0.07 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.00 1.02 0.53 1.61 2.47 -1.26 -3.51 114.94 111.81 2aas s ASN 113 Ca 0.00 -0.05 -0.20 0.00 0.42 0.00 0.00 52.86 53.04 2aas s ASN 113 Cb 0.00 0.58 -0.06 0.00 -1.45 0.00 0.00 41.25 40.32 2aas s ASN 113 CO 0.00 -0.31 1.12 -2.84 -3.72 0.00 0.00 177.10 171.35 2aas s PRO 114 N 2.39 3.42 -0.29 0.43 0.02 -1.26 -5.05 135.00 134.65 2aas s PRO 114 Ca 0.08 1.58 -0.28 0.00 0.02 0.00 0.00 61.00 62.40 2aas s PRO 114 Cb -0.15 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.31 2aas s PRO 114 CO -0.13 -0.79 1.94 -0.47 -0.33 0.00 0.00 177.00 177.23 2aas s TYR 115 N -1.79 1.59 -0.01 6.54 5.04 -1.23 -4.95 117.35 122.54 2aas s TYR 115 Ca 0.72 0.60 0.07 0.00 -2.44 0.00 0.00 57.07 56.02 2aas s TYR 115 Cb -0.23 -4.06 -0.02 0.00 0.35 0.00 0.00 41.96 38.00 2aas s TYR 115 CO 0.26 -3.33 -0.23 0.14 -1.34 0.00 0.00 175.55 171.05 2aas s VAL 116 N 7.39 1.81 -0.03 3.14 -7.23 0.29 -4.85 120.40 120.92 2aas s VAL 116 Ca 0.87 -1.02 -0.32 0.00 -1.81 0.00 0.00 61.98 59.70 2aas s VAL 116 Cb -0.26 -1.51 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 2aas s VAL 116 CO 0.34 0.48 1.95 -0.81 -0.31 0.00 0.00 175.10 176.75 2aas n PRO 117 N 2.42 2.55 -0.02 4.82 -0.04 -1.26 -0.74 135.00 142.73 2aas n PRO 117 Ca -0.16 0.93 0.05 0.00 -0.04 0.00 0.00 63.50 64.28 2aas n PRO 117 Cb 0.52 -2.86 -0.12 0.00 -0.04 0.00 0.00 33.50 31.00 2aas n PRO 117 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aas n VAL 118 N 5.47 0.18 -3.75 0.52 0.24 0.95 -4.51 118.33 117.43 2aas n VAL 118 Ca 0.22 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 2aas n VAL 118 Cb 0.36 0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.95 -0.31 -0.12 6.34 5.65 -1.11 -3.94 115.29 118.85 2aas s HIS 119 Ca -0.06 0.67 -0.04 0.00 0.25 0.00 0.00 55.06 55.88 2aas s HIS 119 Cb 0.09 0.13 -0.03 0.00 -1.18 0.00 0.00 32.58 31.58 2aas s HIS 119 CO 0.64 -0.29 0.03 0.12 -0.65 0.00 0.00 174.74 174.58 2aas s PHE 120 N -0.53 3.21 -0.02 3.88 5.36 -1.26 -0.69 117.98 127.93 2aas s PHE 120 Ca -0.06 0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 56.00 2aas s PHE 120 Cb -0.04 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 2aas s PHE 120 CO 0.02 0.35 -0.06 -3.47 -1.46 0.00 0.00 175.22 170.60 2aas n ASP 121 N 2.67 0.52 -3.69 6.13 2.03 -0.20 -4.96 116.55 119.05 2aas n ASP 121 Ca -0.18 0.08 -0.14 0.00 0.52 0.00 0.00 54.79 55.07 2aas n ASP 121 Cb 0.53 -0.37 -0.09 0.00 -0.72 0.00 0.00 41.12 40.47 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 -2.54 -1.17 -0.21 -1.67 0.00 -1.21 -5.02 121.76 109.92 2aas s ALA 122 Ca -0.05 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 2aas s ALA 122 Cb 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2aas s ALA 122 CO 0.08 -0.26 0.04 -1.54 0.00 0.00 0.00 175.76 174.08 2aas s SER 123 N -0.47 5.16 0.00 0.00 1.04 -1.26 -0.49 113.70 117.68 2aas s SER 123 Ca -0.06 -0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.31 2aas s SER 123 Cb -0.03 -1.90 0.05 0.00 0.10 0.00 0.00 66.02 64.24 2aas s SER 123 CO 0.03 0.06 0.71 1.33 0.98 0.00 0.00 173.24 176.35