#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 2.78 0.74 1.64 -6.30 -1.26 -4.94 118.70 111.36 2aas s GLU 2 Ca 0.00 0.17 -0.06 0.00 -2.50 0.00 0.00 54.97 52.58 2aas s GLU 2 Cb 0.00 -4.54 0.10 0.00 0.00 0.00 0.00 34.13 29.69 2aas s GLU 2 CO 0.00 -2.71 1.04 0.95 0.02 0.00 0.00 175.26 174.56 2aas s THR 3 N 8.37 2.23 0.29 -1.70 -4.23 -1.26 -4.94 115.64 114.41 2aas s THR 3 Ca 0.60 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2aas s THR 3 Cb -0.10 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.13 2aas s THR 3 CO 0.14 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.01 2aas h ALA 4 N -0.69 1.54 -0.28 3.99 0.00 -1.92 -0.45 119.26 121.45 2aas h ALA 4 Ca -0.42 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2aas h ALA 4 Cb 1.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2aas h ALA 4 CO 0.51 0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.91 2aas h ALA 5 N 1.60 0.36 -0.95 0.00 0.00 -1.77 -1.42 119.26 117.07 2aas h ALA 5 Ca 0.53 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2aas h ALA 5 Cb 0.72 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2aas h ALA 5 CO -0.34 -0.05 0.63 0.00 0.00 0.00 0.00 179.25 179.49 2aas h ALA 6 N 0.96 1.35 -0.40 0.00 0.00 -1.60 -1.51 119.26 118.07 2aas h ALA 6 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2aas h ALA 6 Cb 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2aas h ALA 6 CO -0.01 0.57 0.22 -0.22 0.00 0.00 0.00 179.25 179.81 2aas h LYS 7 N 1.24 0.56 -0.12 0.00 3.64 -0.69 0.76 116.57 121.96 2aas h LYS 7 Ca 0.36 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2aas h LYS 7 Cb -0.07 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 2aas h LYS 7 CO -0.10 0.46 -0.28 0.35 -2.27 0.00 0.00 179.45 177.61 2aas h PHE 8 N 0.52 -0.77 -0.32 1.91 3.57 -0.89 0.78 116.94 121.73 2aas h PHE 8 Ca 0.14 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2aas h PHE 8 Cb 0.07 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 2aas h PHE 8 CO -0.02 -0.37 -0.11 0.93 -2.23 0.00 0.00 178.31 176.51 2aas h GLU 9 N -0.36 -0.04 0.05 1.11 5.08 -0.83 -0.02 114.58 119.57 2aas h GLU 9 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2aas h GLU 9 Cb 0.51 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2aas h GLU 9 CO -0.32 -0.03 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.55 2aas h ARG 10 N -0.04 -0.06 -0.16 2.33 1.12 -0.48 -0.13 114.38 116.96 2aas h ARG 10 Ca 0.16 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.90 2aas h ARG 10 Cb 0.28 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 2aas h ARG 10 CO -0.36 0.03 -0.47 1.96 -3.11 0.00 0.00 179.97 178.02 2aas h GLN 11 N -0.14 0.40 0.00 0.20 4.20 -0.67 -3.42 115.11 115.68 2aas h GLN 11 Ca -0.01 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 2aas h GLN 11 Cb 0.12 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2aas h GLN 11 CO 0.01 0.79 -1.32 0.72 -0.67 0.00 0.00 178.83 178.36 2aas n HIS 12 N -3.98 0.00 -2.75 2.96 8.25 -0.04 -4.60 115.22 115.06 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 0.54 -0.21 -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 -2.11 4.36 -0.32 -0.41 -1.94 -0.07 0.33 119.30 119.13 2aas s MET 13 Ca -0.08 1.27 0.13 0.00 -1.71 0.00 0.00 55.69 55.31 2aas s MET 13 Cb 0.02 -3.56 0.46 0.00 2.01 0.00 0.00 34.83 33.77 2aas s MET 13 CO 0.12 -0.36 1.10 -0.25 -0.01 0.00 0.00 175.02 175.62 2aas n ASP 14 N 5.24 3.21 -0.06 3.03 9.92 -0.47 -4.91 116.55 132.51 2aas n ASP 14 Ca 0.08 -3.05 0.13 0.00 -0.53 0.00 0.00 54.79 51.43 2aas n ASP 14 Cb 0.48 -0.45 0.54 0.00 -0.64 0.00 0.00 41.12 41.06 2aas n ASP 14 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2aas h SER 15 N 2.57 0.29 -0.64 -2.24 4.64 -1.75 -0.49 113.55 115.92 2aas h SER 15 Ca 0.11 0.01 0.17 0.00 -0.47 0.00 0.00 61.79 61.61 2aas h SER 15 Cb 1.25 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2aas h SER 15 CO 0.57 0.17 0.45 0.77 -0.87 0.00 0.00 176.83 177.91 2aas h SER 16 N 0.32 0.10 -4.34 4.97 4.64 -1.91 -3.43 113.55 113.90 2aas h SER 16 Ca 0.27 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.92 2aas h SER 16 Cb 0.63 -0.01 -0.27 0.00 -0.31 0.00 0.00 62.40 62.43 2aas h SER 16 CO -0.06 0.05 -0.87 0.42 -0.87 0.00 0.00 176.83 175.49 2aas s THR 17 N -5.11 2.03 -0.16 2.95 -4.23 -0.19 -5.06 115.64 105.87 2aas s THR 17 Ca -0.06 -1.31 0.17 0.00 -1.18 0.00 0.00 61.69 59.31 2aas s THR 17 Cb 0.20 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 2aas s THR 17 CO 0.75 0.37 1.15 0.77 -0.54 0.00 0.00 174.62 177.12 2aas h SER 18 N 4.91 0.00 -4.48 3.99 4.64 -1.83 -3.43 113.55 117.35 2aas h SER 18 Ca -0.45 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 2aas h SER 18 Cb 1.14 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.03 2aas h SER 18 CO 0.44 0.47 0.42 0.00 -0.87 0.00 0.00 176.83 177.29 2aas s ALA 19 N -2.99 -1.86 -0.71 5.18 0.00 -1.26 -4.82 121.76 115.30 2aas s ALA 19 Ca 0.01 1.40 -0.26 0.00 0.00 0.00 0.00 51.96 53.11 2aas s ALA 19 Cb 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2aas s ALA 19 CO 0.77 -0.39 1.97 0.00 0.00 0.00 0.00 175.76 178.11 2aas s ALA 20 N -1.48 1.87 -2.00 0.00 0.00 -1.26 -4.85 121.76 114.03 2aas s ALA 20 Ca -0.04 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.14 2aas s ALA 20 Cb -0.00 -4.41 0.62 0.00 0.00 0.00 0.00 23.12 19.33 2aas s ALA 20 CO 0.02 -4.37 1.08 -1.13 0.00 0.00 0.00 175.76 171.36 2aas n SER 21 N 13.78 0.00 -3.69 0.00 3.41 -1.26 -4.59 113.62 121.27 2aas n SER 21 Ca 0.30 -0.76 -0.14 0.00 -0.26 0.00 0.00 58.87 58.01 2aas n SER 21 Cb 0.50 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.78 -0.40 0.61 4.04 0.15 -1.26 -5.02 113.70 110.03 2aas s SER 22 Ca 0.16 0.53 0.31 0.00 0.70 0.00 0.00 55.95 57.64 2aas s SER 22 Cb 0.07 0.59 1.68 0.00 -1.71 0.00 0.00 66.02 66.65 2aas s SER 22 CO 0.12 -0.38 1.93 0.77 1.20 0.00 0.00 173.24 176.88 2aas h SER 23 N 4.22 0.00 0.00 5.45 4.64 -1.86 -2.26 113.55 123.74 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 1.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 2aas h SER 23 CO 0.33 0.00 -0.42 0.59 -0.87 0.00 0.00 176.83 176.46 2aas n ASN 24 N -2.79 1.72 -0.01 4.97 4.13 -1.26 -1.86 115.26 120.16 2aas n ASN 24 Ca -0.02 -3.36 -0.09 0.00 1.68 0.00 0.00 54.58 52.79 2aas n ASN 24 Cb 0.28 -0.46 -0.03 0.00 -1.54 0.00 0.00 39.78 38.04 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 0.66 -0.58 -0.10 3.10 3.20 -1.73 -2.95 116.97 118.58 2aas h TYR 25 Ca -0.03 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2aas h TYR 25 Cb 1.12 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.67 2aas h TYR 25 CO 0.44 -0.30 0.12 0.00 -1.64 0.00 0.00 178.16 176.79 2aas h ASN 27 N 0.00 -1.43 0.01 0.00 4.21 -1.76 0.22 115.58 116.83 2aas h ASN 27 Ca 0.05 0.20 -0.09 0.00 1.21 0.00 0.00 56.30 57.67 2aas h ASN 27 Cb 0.29 0.60 0.01 0.00 -1.12 0.00 0.00 38.32 38.10 2aas h ASN 27 CO -0.00 -0.25 -0.34 -0.61 -1.29 0.00 0.00 177.43 174.94 2aas h GLN 28 N -0.18 0.22 -0.81 0.81 5.75 -1.77 -3.37 115.11 115.75 2aas h GLN 28 Ca 0.07 -0.25 0.14 0.00 -0.15 0.00 0.00 58.65 58.47 2aas h GLN 28 Cb 0.38 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.91 2aas h GLN 28 CO -0.52 0.98 0.38 0.52 -2.65 0.00 0.00 178.83 177.54 2aas h MET 29 N -0.43 0.53 -0.40 1.69 2.86 -1.36 -0.05 114.93 117.77 2aas h MET 29 Ca -0.04 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2aas h MET 29 Cb 1.10 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.59 2aas h MET 29 CO 0.07 0.35 0.11 0.52 1.06 0.00 0.00 176.91 179.02 2aas h MET 30 N 0.55 0.25 0.00 1.72 2.86 -0.73 -2.36 114.93 117.22 2aas h MET 30 Ca 0.44 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.90 2aas h MET 30 Cb 0.64 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2aas h MET 30 CO -0.37 0.17 -0.80 1.57 1.06 0.00 0.00 176.91 178.53 2aas h LYS 31 N 0.26 0.01 -0.91 1.72 2.10 -1.49 -2.59 116.57 115.67 2aas h LYS 31 Ca 0.19 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.85 2aas h LYS 31 Cb 0.20 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.49 2aas h LYS 31 CO -0.22 0.81 0.60 0.77 -2.00 0.00 0.00 179.45 179.40 2aas h SER 32 N 0.01 1.02 -0.09 7.07 0.02 -0.68 -1.14 113.55 119.76 2aas h SER 32 Ca -0.01 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2aas h SER 32 Cb 1.42 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2aas h SER 32 CO 0.11 0.73 0.01 0.54 -1.14 0.00 0.00 176.83 177.07 2aas n ARG 33 N -4.41 1.54 -1.84 3.45 3.00 -0.92 -4.91 116.66 112.58 2aas n ARG 33 Ca 0.11 -0.45 -0.09 0.00 -0.01 0.00 0.00 57.85 57.41 2aas n ARG 33 Cb 0.04 -1.59 -0.02 0.00 0.00 0.00 0.00 32.46 30.90 2aas n ARG 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2aas n ASN 34 N 0.10 -2.66 0.14 0.55 2.04 -0.43 -4.80 115.26 110.20 2aas n ASN 34 Ca 0.04 0.25 -0.01 0.00 -0.44 0.00 0.00 54.58 54.42 2aas n ASN 34 Cb 0.40 -2.47 0.17 0.00 -2.53 0.00 0.00 39.78 35.36 2aas n ASN 34 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 2aas h LEU 35 N 0.00 0.00 -3.43 -4.53 3.38 -1.66 -3.23 115.31 105.84 2aas h LEU 35 Ca -0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2aas h LEU 35 Cb 0.85 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2aas h LEU 35 CO 0.25 0.61 0.06 0.35 0.09 0.00 0.00 178.44 179.80 2aas n THR 36 N -3.75 2.55 0.25 0.22 -2.24 -1.26 -4.56 114.28 105.50 2aas n THR 36 Ca -0.01 -1.98 -0.07 0.00 -2.27 0.00 0.00 64.05 59.73 2aas n THR 36 Cb 0.62 -0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.50 1.56 0.19 -0.78 5.02 -1.22 -3.41 118.16 119.01 2aas n LYS 37 Ca 0.30 -1.04 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 2aas n LYS 37 Cb 1.08 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 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 -0.02 -2.31 -4.18 4.39 2.03 -1.26 -5.12 116.55 110.08 2aas n ASP 38 Ca 0.19 0.68 -0.11 0.00 0.52 0.00 0.00 54.79 56.07 2aas n ASP 38 Cb 0.86 2.26 -0.10 0.00 -0.72 0.00 0.00 41.12 43.42 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 -1.90 0.91 -0.05 -0.67 1.70 -1.22 -4.95 118.95 112.77 2aas s ARG 39 Ca 0.00 -1.39 -0.30 0.00 -0.47 0.00 0.00 55.73 53.57 2aas s ARG 39 Cb 0.00 -0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.18 2aas s ARG 39 CO 0.00 -0.08 1.51 0.00 -1.08 0.00 0.00 175.30 175.65 2aas s LYS 41 N 3.34 4.24 0.17 0.00 2.20 -1.26 -4.97 119.74 123.47 2aas s LYS 41 Ca 0.67 2.17 -0.22 0.00 -0.36 0.00 0.00 55.97 58.24 2aas s LYS 41 Cb -0.31 -3.50 0.08 0.00 -1.51 0.00 0.00 37.83 32.59 2aas s LYS 41 CO 0.26 -0.63 1.60 -1.35 -0.36 0.00 0.00 175.35 174.87 2aas h PRO 42 N 7.81 -0.21 -4.23 4.03 0.11 -1.97 -3.41 132.00 134.13 2aas h PRO 42 Ca -0.41 0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.44 2aas h PRO 42 Cb 1.19 0.05 -0.26 0.00 0.11 0.00 0.00 31.00 32.09 2aas h PRO 42 CO 0.91 -0.14 -0.74 0.08 -0.21 0.00 0.00 178.00 177.90 2aas s VAL 43 N -6.02 0.33 0.02 3.15 1.01 -1.26 -0.83 120.40 116.81 2aas s VAL 43 Ca -0.15 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 2aas s VAL 43 Cb 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.21 2aas s VAL 43 CO 0.68 -0.09 0.32 0.21 0.00 0.00 0.00 175.10 176.23 2aas s ASN 44 N -0.60 -0.18 -0.16 3.32 3.84 0.41 -5.00 114.94 116.57 2aas s ASN 44 Ca -0.03 -0.04 -0.01 0.00 0.21 0.00 0.00 52.86 52.99 2aas s ASN 44 Cb -0.04 0.35 0.04 0.00 -0.55 0.00 0.00 41.25 41.05 2aas s ASN 44 CO -0.00 -0.55 -0.02 -0.89 -2.79 0.00 0.00 177.10 172.85 2aas s THR 45 N -2.01 0.88 0.20 -5.21 2.01 -1.26 -0.27 115.64 109.98 2aas s THR 45 Ca -0.09 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 2aas s THR 45 Cb -0.03 -1.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 2aas s THR 45 CO 0.00 0.05 0.66 -0.36 -0.69 0.00 0.00 174.62 174.29 2aas s PHE 46 N 1.72 3.61 -0.30 4.92 0.08 0.12 -4.51 117.98 123.63 2aas s PHE 46 Ca 0.01 1.25 0.03 0.00 0.12 0.00 0.00 56.93 58.34 2aas s PHE 46 Cb -0.15 -2.52 0.08 0.00 -0.57 0.00 0.00 43.02 39.85 2aas s PHE 46 CO -0.07 0.35 -0.03 0.08 -0.10 0.00 0.00 175.22 175.45 2aas s VAL 47 N -1.53 2.26 -1.44 -0.44 1.01 0.15 0.84 120.40 121.24 2aas s VAL 47 Ca 0.42 -1.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 2aas s VAL 47 Cb -0.16 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.79 2aas s VAL 47 CO 0.20 -0.29 2.43 1.41 0.00 0.00 0.00 175.10 178.85 2aas n HIS 48 N 4.36 2.80 -4.04 5.22 8.25 0.11 -1.37 115.22 130.54 2aas n HIS 48 Ca -0.06 -2.93 -0.09 0.00 -0.26 0.00 0.00 57.72 54.38 2aas n HIS 48 Cb 0.42 -2.21 -0.09 0.00 1.12 0.00 0.00 29.99 29.24 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 1.05 0.90 0.63 -0.41 0.41 -1.26 -4.63 118.70 115.39 2aas s GLU 49 Ca 0.55 -1.25 -0.15 0.00 -0.41 0.00 0.00 54.97 53.71 2aas s GLU 49 Cb 0.16 0.29 -0.02 0.00 -1.78 0.00 0.00 34.13 32.77 2aas s GLU 49 CO -0.06 -0.27 1.07 -1.54 -0.49 0.00 0.00 175.26 173.97 2aas s SER 50 N -2.97 5.52 0.26 -0.19 1.04 -1.26 -3.54 113.70 112.56 2aas s SER 50 Ca 0.15 1.84 -0.01 0.00 0.48 0.00 0.00 55.95 58.42 2aas s SER 50 Cb 0.06 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 64.13 2aas s SER 50 CO -0.03 -1.35 1.82 0.25 0.98 0.00 0.00 173.24 174.91 2aas h LEU 51 N 0.15 0.79 -0.59 2.42 5.85 -1.99 -1.69 115.31 120.25 2aas h LEU 51 Ca -0.46 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.43 2aas h LEU 51 Cb 1.23 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 2aas h LEU 51 CO 0.56 0.43 0.07 0.00 -0.34 0.00 0.00 178.44 179.16 2aas h ALA 52 N 1.51 0.65 -0.54 1.25 0.00 -1.99 0.29 119.26 120.43 2aas h ALA 52 Ca 0.45 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.49 2aas h ALA 52 Cb 0.45 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2aas h ALA 52 CO -0.26 -0.35 0.21 -0.44 0.00 0.00 0.00 179.25 178.40 2aas h ASP 53 N 0.19 0.71 0.62 0.00 3.32 -1.70 -1.62 116.42 117.94 2aas h ASP 53 Ca 0.31 -0.09 -0.27 0.00 0.02 0.00 0.00 57.03 57.00 2aas h ASP 53 Cb 0.49 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2aas h ASP 53 CO -0.45 0.65 -1.47 0.58 -1.72 0.00 0.00 179.24 176.83 2aas h VAL 54 N 0.77 1.17 -0.74 -1.35 2.07 -0.99 -3.17 116.25 114.01 2aas h VAL 54 Ca 0.18 -2.93 0.10 0.00 0.82 0.00 0.00 66.70 64.88 2aas h VAL 54 Cb 0.16 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 2aas h VAL 54 CO -0.02 0.72 0.49 1.56 0.02 0.00 0.00 177.57 180.34 2aas h GLN 55 N 0.02 0.60 -0.01 1.57 4.20 -0.19 -1.24 115.11 120.05 2aas h GLN 55 Ca -0.20 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2aas h GLN 55 Cb 1.94 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 29.58 2aas h GLN 55 CO 0.11 0.40 0.04 0.00 -0.67 0.00 0.00 178.83 178.70 2aas h ALA 56 N 1.63 1.26 0.01 3.87 0.00 -1.27 -1.76 119.26 123.00 2aas h ALA 56 Ca 0.34 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.03 2aas h ALA 56 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2aas h ALA 56 CO -0.12 -0.04 -1.10 0.28 0.00 0.00 0.00 179.25 178.27 2aas h VAL 57 N 0.00 1.61 0.00 0.00 2.07 -1.31 -3.11 116.25 115.52 2aas h VAL 57 Ca 0.01 -3.32 0.00 0.00 0.82 0.00 0.00 66.70 64.21 2aas h VAL 57 Cb 0.08 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2aas h VAL 57 CO -0.00 0.93 0.00 0.00 0.02 0.00 0.00 177.57 178.52 2aas n SER 59 N -3.07 4.59 0.00 0.00 7.64 -1.17 -4.94 113.62 116.66 2aas n SER 59 Ca -0.01 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.87 2aas n SER 59 Cb 0.18 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 -0.09 3.96 -2.89 1.43 6.02 -0.63 -5.07 117.38 120.10 2aas n GLN 60 Ca 0.24 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.82 2aas n GLN 60 Cb 1.02 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 32.24 2aas n GLN 60 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2aas s LYS 61 N 3.20 4.39 0.24 -1.09 1.02 -1.25 -4.87 119.74 121.39 2aas s LYS 61 Ca 0.00 1.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.76 2aas s LYS 61 Cb 0.00 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 2aas s LYS 61 CO 0.00 -0.16 1.30 1.21 -0.92 0.00 0.00 175.35 176.78 2aas s ASN 62 N 1.02 6.88 0.19 2.83 3.04 -1.26 -1.38 114.94 126.26 2aas s ASN 62 Ca 0.41 2.48 -0.00 0.00 0.04 0.00 0.00 52.86 55.79 2aas s ASN 62 Cb -0.18 -2.62 -0.04 0.00 -1.54 0.00 0.00 41.25 36.87 2aas s ASN 62 CO 0.17 -0.51 0.08 0.68 -3.04 0.00 0.00 177.10 174.49 2aas s VAL 63 N -0.34 0.27 -0.04 -5.21 -7.23 -0.01 -4.92 120.40 102.93 2aas s VAL 63 Ca 0.54 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.55 2aas s VAL 63 Cb -0.37 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2aas s VAL 63 CO 0.43 -0.19 0.52 0.00 -0.31 0.00 0.00 175.10 175.54 2aas s ALA 64 N -3.95 3.53 0.54 1.32 0.00 -1.26 -2.52 121.76 119.42 2aas s ALA 64 Ca 0.33 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 2aas s ALA 64 Cb 0.07 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 2aas s ALA 64 CO 0.09 0.19 1.19 0.00 0.00 0.00 0.00 175.76 177.22 2aas h LYS 66 N 1.34 0.12 0.00 0.00 1.79 -1.96 0.37 116.57 118.23 2aas h LYS 66 Ca -0.50 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2aas h LYS 66 Cb 1.27 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2aas h LYS 66 CO 0.57 0.08 0.00 -2.95 -1.08 0.00 0.00 179.45 176.07 2aas h ASN 67 N 0.12 0.00 0.00 0.86 -1.07 -2.03 -3.47 115.58 109.99 2aas h ASN 67 Ca 0.77 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.14 2aas h ASN 67 Cb 2.48 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.73 2aas h ASN 67 CO -0.33 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.78 2aas n GLY 68 N 0.91 0.94 3.70 9.14 0.00 0.13 -5.10 105.19 114.90 2aas n GLY 68 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.14 4.38 0.42 1.61 -0.44 -1.21 -4.71 119.66 119.57 2aas s GLN 69 Ca 0.00 1.74 0.28 0.00 -2.50 0.00 0.00 55.36 54.88 2aas s GLN 69 Cb 0.00 -3.48 1.00 0.00 -1.64 0.00 0.00 33.01 28.89 2aas s GLN 69 CO 0.00 -0.38 1.82 1.79 0.50 0.00 0.00 175.29 179.02 2aas h THR 70 N 4.80 0.00 -2.75 -0.34 1.35 -1.90 0.28 112.91 114.35 2aas h THR 70 Ca -0.38 -0.55 -0.80 0.00 -0.55 0.00 0.00 66.41 64.14 2aas h THR 70 Cb 1.18 1.49 -0.26 0.00 -1.73 0.00 0.00 68.15 68.84 2aas h THR 70 CO 0.85 0.00 0.95 -0.46 -0.25 0.00 0.00 175.52 176.61 2aas n ASN 71 N -2.80 6.02 -4.20 5.36 6.94 -1.26 -4.44 115.26 120.87 2aas n ASN 71 Ca 0.02 -3.29 -0.14 0.00 -0.02 0.00 0.00 54.58 51.16 2aas n ASN 71 Cb 0.35 -1.33 -0.10 0.00 -2.36 0.00 0.00 39.78 36.33 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 -2.84 0.19 0.12 0.00 1.51 -0.27 -0.83 117.35 115.24 2aas s TYR 73 Ca 0.10 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 2aas s TYR 73 Cb -0.00 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 2aas s TYR 73 CO -0.00 -0.07 0.21 -1.14 -1.11 0.00 0.00 175.55 173.43 2aas s GLN 74 N -0.65 3.24 -0.19 -0.62 2.00 -0.48 -1.97 119.66 120.98 2aas s GLN 74 Ca -0.06 -0.63 -0.10 0.00 -2.00 0.00 0.00 55.36 52.56 2aas s GLN 74 Cb -0.05 -2.88 -0.05 0.00 0.80 0.00 0.00 33.01 30.84 2aas s GLN 74 CO -0.00 0.54 0.13 -1.54 -0.50 0.00 0.00 175.29 173.92 2aas s SER 75 N -2.92 6.21 0.27 6.67 1.04 -1.02 -3.86 113.70 120.10 2aas s SER 75 Ca 0.33 0.24 0.25 0.00 0.48 0.00 0.00 55.95 57.25 2aas s SER 75 Cb -0.11 -2.09 0.96 0.00 0.10 0.00 0.00 66.02 64.87 2aas s SER 75 CO 0.26 0.19 1.74 1.88 0.98 0.00 0.00 173.24 178.30 2aas h TYR 76 N 6.57 0.00 -2.63 5.02 0.05 -1.97 -3.41 116.97 120.60 2aas h TYR 76 Ca -0.42 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.79 2aas h TYR 76 Cb 1.16 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.82 2aas h TYR 76 CO 0.59 0.00 -0.58 -1.54 -1.05 0.00 0.00 178.16 175.58 2aas s SER 77 N -4.42 5.29 0.33 3.88 1.04 -1.26 -5.11 113.70 113.44 2aas s SER 77 Ca 0.06 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 55.98 2aas s SER 77 Cb 0.10 -1.30 -0.09 0.00 0.10 0.00 0.00 66.02 64.82 2aas s SER 77 CO 0.45 0.05 1.02 0.42 0.98 0.00 0.00 173.24 176.16 2aas s THR 78 N -1.84 3.85 0.06 2.02 -4.23 -1.26 -4.60 115.64 109.62 2aas s THR 78 Ca 0.30 1.61 0.08 0.00 -1.18 0.00 0.00 61.69 62.50 2aas s THR 78 Cb -0.09 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 2aas s THR 78 CO 0.22 0.19 -0.22 -0.04 -0.54 0.00 0.00 174.62 174.24 2aas s MET 79 N -1.95 1.91 -0.65 3.99 -1.94 0.10 -4.80 119.30 115.96 2aas s MET 79 Ca 0.50 -1.07 -0.26 0.00 -1.71 0.00 0.00 55.69 53.15 2aas s MET 79 Cb -0.24 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 2aas s MET 79 CO 0.30 0.52 1.98 0.45 -0.01 0.00 0.00 175.02 178.27 2aas s SER 80 N -1.48 5.06 0.01 3.03 0.15 -1.26 -1.43 113.70 117.78 2aas s SER 80 Ca 0.14 0.27 0.08 0.00 0.70 0.00 0.00 55.95 57.14 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 0.05 -2.58 -0.24 0.27 1.20 0.00 0.00 173.24 171.93 2aas s ILE 81 N 9.98 2.28 -0.42 6.45 -5.25 0.79 -0.71 121.20 134.33 2aas s ILE 81 Ca 0.73 -1.19 -0.02 0.00 -0.99 0.00 0.00 60.65 59.18 2aas s ILE 81 Cb -0.12 -1.86 0.11 0.00 2.95 0.00 0.00 42.46 43.54 2aas s ILE 81 CO 0.17 0.47 0.21 -0.89 -1.79 0.00 0.00 174.94 173.11 2aas s THR 82 N -0.74 3.25 -0.15 8.37 2.01 0.25 -0.19 115.64 128.44 2aas s THR 82 Ca 0.11 -2.14 -0.23 0.00 0.31 0.00 0.00 61.69 59.74 2aas s THR 82 Cb -0.10 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 2aas s THR 82 CO 0.01 -0.70 0.74 -0.62 -0.69 0.00 0.00 174.62 173.36 2aas s ASP 83 N 1.70 6.89 -0.02 3.53 -1.08 0.47 0.16 116.67 128.32 2aas s ASP 83 Ca 0.09 1.08 0.02 0.00 -0.52 0.00 0.00 52.55 53.22 2aas s ASP 83 Cb -0.22 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2aas s ASP 83 CO -0.04 -0.29 -0.07 0.00 0.52 0.00 0.00 175.17 175.29 2aas s ARG 85 N 0.24 0.38 0.49 0.00 3.52 -0.68 -0.45 118.95 122.45 2aas s ARG 85 Ca -0.03 -0.64 -0.24 0.00 -0.13 0.00 0.00 55.73 54.69 2aas s ARG 85 Cb -0.08 -0.03 -0.07 0.00 -1.56 0.00 0.00 34.95 33.21 2aas s ARG 85 CO 0.00 -0.01 1.38 0.39 -0.81 0.00 0.00 175.30 176.25 2aas n GLU 86 N 1.60 1.96 -2.70 5.12 1.02 -0.01 -0.05 120.64 127.59 2aas n GLU 86 Ca -0.23 0.71 -0.22 0.00 -0.02 0.00 0.00 57.16 57.40 2aas n GLU 86 Cb 0.55 -2.58 0.03 0.00 -0.02 0.00 0.00 31.44 29.42 2aas n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2aas s THR 87 N -1.24 2.96 0.20 2.62 -4.23 -0.24 -4.69 115.64 111.03 2aas s THR 87 Ca 0.66 -0.61 0.33 0.00 -1.18 0.00 0.00 61.69 60.89 2aas s THR 87 Cb -0.44 -3.11 0.34 0.00 1.34 0.00 0.00 72.50 70.63 2aas s THR 87 CO 0.54 -0.08 2.01 1.23 -0.54 0.00 0.00 174.62 177.78 2aas h GLY 88 N 0.12 0.00 -1.99 3.99 0.00 -1.97 -2.52 103.07 100.70 2aas h GLY 88 Ca -0.43 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 2aas h GLY 88 CO 0.53 0.00 0.02 1.44 0.00 0.00 0.00 176.54 178.54 2aas n SER 89 N -2.68 3.53 -4.40 0.19 7.64 -1.26 -4.95 113.62 111.69 2aas n SER 89 Ca -0.02 -3.29 -0.45 0.00 1.01 0.00 0.00 58.87 56.12 2aas n SER 89 Cb 0.08 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2aas n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2aas s SER 90 N -2.02 6.49 0.41 6.43 0.15 -0.95 -4.56 113.70 119.65 2aas s SER 90 Ca 0.45 -1.92 0.07 0.00 0.70 0.00 0.00 55.95 55.25 2aas s SER 90 Cb 0.38 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 2aas s SER 90 CO 0.07 -1.01 0.18 -0.54 1.20 0.00 0.00 173.24 173.14 2aas s LYS 91 N 2.26 2.23 -0.14 5.44 1.02 -0.88 -4.78 119.74 124.89 2aas s LYS 91 Ca 0.23 -1.84 -0.14 0.00 0.02 0.00 0.00 55.97 54.24 2aas s LYS 91 Cb -0.12 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 2aas s LYS 91 CO -0.03 -0.12 0.32 -0.47 -0.92 0.00 0.00 175.35 174.13 2aas s TYR 92 N -2.60 3.49 -2.20 3.18 5.04 -1.26 -1.13 117.35 121.88 2aas s TYR 92 Ca 0.41 0.66 0.19 0.00 -2.44 0.00 0.00 57.07 55.89 2aas s TYR 92 Cb 0.04 -2.35 0.75 0.00 0.35 0.00 0.00 41.96 40.75 2aas s TYR 92 CO 0.23 0.28 1.53 -0.35 -1.34 0.00 0.00 175.55 175.90 2aas n PRO 93 N 3.38 1.60 -1.74 4.97 -0.04 -1.26 -4.98 135.00 136.93 2aas n PRO 93 Ca -0.12 -0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 62.03 2aas n PRO 93 Cb 0.52 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.14 6.42 -4.67 3.54 6.94 -0.28 -4.93 115.26 122.42 2aas n ASN 94 Ca 0.15 -2.85 -0.43 0.00 -0.02 0.00 0.00 54.58 51.43 2aas n ASN 94 Cb 0.28 -1.54 -0.02 0.00 -2.36 0.00 0.00 39.78 36.13 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 3.13 1.93 0.12 0.00 0.00 -1.26 -4.58 121.76 121.10 2aas s ALA 96 Ca 0.59 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.75 2aas s ALA 96 Cb -0.26 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2aas s ALA 96 CO 0.20 -0.14 -0.24 0.71 0.00 0.00 0.00 175.76 176.30 2aas s TYR 97 N 1.05 2.05 -0.31 0.00 1.51 -1.26 -1.08 117.35 119.31 2aas s TYR 97 Ca -0.04 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.48 2aas s TYR 97 Cb -0.15 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2aas s TYR 97 CO -0.04 0.29 0.34 -1.59 -1.11 0.00 0.00 175.55 173.44 2aas s LYS 98 N -2.07 3.75 -0.11 -0.62 -2.85 0.93 -4.58 119.74 114.20 2aas s LYS 98 Ca 0.11 -0.27 0.01 0.00 -1.00 0.00 0.00 55.97 54.82 2aas s LYS 98 Cb -0.10 -3.74 -0.02 0.00 -2.06 0.00 0.00 37.83 31.92 2aas s LYS 98 CO 0.05 -0.40 -0.13 0.99 0.10 0.00 0.00 175.35 175.97 2aas s THR 99 N 2.00 3.12 -0.13 3.79 2.01 -0.77 -1.69 115.64 123.96 2aas s THR 99 Ca 0.12 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.48 2aas s THR 99 Cb -0.16 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.07 2aas s THR 99 CO 0.11 0.54 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.50 2aas s THR 100 N 0.01 1.82 -0.26 -0.82 2.01 0.51 -4.52 115.64 114.39 2aas s THR 100 Ca -0.04 -0.84 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 2aas s THR 100 Cb -0.14 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 2aas s THR 100 CO 0.04 0.50 0.60 -1.58 -0.69 0.00 0.00 174.62 173.49 2aas s GLN 101 N 0.88 4.09 0.01 4.92 2.00 -1.26 -0.39 119.66 129.90 2aas s GLN 101 Ca -0.07 0.48 0.00 0.00 -2.00 0.00 0.00 55.36 53.77 2aas s GLN 101 Cb -0.15 -3.65 -0.01 0.00 0.80 0.00 0.00 33.01 29.99 2aas s GLN 101 CO -0.02 -0.40 -0.02 0.00 -0.50 0.00 0.00 175.29 174.35 2aas s ALA 102 N 2.46 0.09 -0.52 1.58 0.00 0.74 -5.01 121.76 121.10 2aas s ALA 102 Ca 0.25 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 2aas s ALA 102 Cb -0.15 0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.18 2aas s ALA 102 CO 0.09 -0.09 0.44 -0.80 0.00 0.00 0.00 175.76 175.40 2aas s ASN 103 N -0.86 5.96 0.13 0.00 -0.87 -1.26 -0.15 114.94 117.89 2aas s ASN 103 Ca -0.09 -1.92 0.04 0.00 -1.57 0.00 0.00 52.86 49.31 2aas s ASN 103 Cb -0.06 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 39.02 2aas s ASN 103 CO -0.01 -0.75 -0.09 -0.54 -2.57 0.00 0.00 177.10 173.14 2aas s LYS 104 N 1.37 0.97 0.31 -0.60 1.02 -0.51 -4.74 119.74 117.56 2aas s LYS 104 Ca 0.05 -1.39 -0.23 0.00 0.02 0.00 0.00 55.97 54.42 2aas s LYS 104 Cb -0.27 -0.48 -0.10 0.00 -0.52 0.00 0.00 37.83 36.46 2aas s LYS 104 CO 0.00 0.05 0.87 -1.01 -0.92 0.00 0.00 175.35 174.34 2aas s HIS 105 N -3.36 3.62 0.01 3.18 3.76 -1.26 0.01 115.29 121.26 2aas s HIS 105 Ca 0.14 1.63 0.06 0.00 -0.15 0.00 0.00 55.06 56.74 2aas s HIS 105 Cb 0.03 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 2aas s HIS 105 CO -0.01 0.20 -0.17 0.96 -0.85 0.00 0.00 174.74 174.87 2aas s ILE 106 N -1.67 2.85 -0.33 0.60 -4.36 -1.26 -0.18 121.20 116.85 2aas s ILE 106 Ca 0.50 -1.04 -0.06 0.00 -0.26 0.00 0.00 60.65 59.79 2aas s ILE 106 Cb -0.17 -2.17 0.04 0.00 1.25 0.00 0.00 42.46 41.41 2aas s ILE 106 CO 0.21 0.42 0.10 -0.63 0.24 0.00 0.00 174.94 175.29 2aas s ILE 107 N -0.86 3.76 -0.09 8.37 1.01 0.29 -2.42 121.20 131.26 2aas s ILE 107 Ca 0.14 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 2aas s ILE 107 Cb -0.11 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2aas s ILE 107 CO 0.04 -0.16 -0.07 0.68 0.00 0.00 0.00 174.94 175.43 2aas s VAL 108 N 1.40 3.71 -0.19 2.92 -7.23 -0.83 -1.92 120.40 118.26 2aas s VAL 108 Ca -0.02 -0.46 -0.21 0.00 -1.81 0.00 0.00 61.98 59.48 2aas s VAL 108 Cb -0.19 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2aas s VAL 108 CO 0.03 0.57 0.65 0.00 -0.31 0.00 0.00 175.10 176.04 2aas s ALA 109 N -0.49 3.53 -0.02 1.32 0.00 0.45 -1.11 121.76 125.45 2aas s ALA 109 Ca 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2aas s ALA 109 Cb -0.12 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 2aas s ALA 109 CO 0.02 -0.54 -0.19 0.00 0.00 0.00 0.00 175.76 175.05 2aas s GLU 111 N -0.44 1.70 0.45 0.00 2.02 -0.27 -4.92 118.70 117.25 2aas s GLU 111 Ca 0.07 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2aas s GLU 111 Cb -0.08 0.53 0.00 0.00 0.10 0.00 0.00 34.13 34.68 2aas s GLU 111 CO -0.01 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 174.94 2aas n GLY 112 N -0.43 -2.32 2.88 -1.39 0.00 -1.26 -0.79 105.19 101.88 2aas n GLY 112 Ca -0.03 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.01 0.77 0.40 1.61 2.47 -1.26 -3.25 114.94 112.67 2aas s ASN 113 Ca 0.00 0.24 -0.25 0.00 0.42 0.00 0.00 52.86 53.27 2aas s ASN 113 Cb 0.00 0.56 -0.08 0.00 -1.45 0.00 0.00 41.25 40.27 2aas s ASN 113 CO 0.00 -0.28 1.17 -2.16 -3.72 0.00 0.00 177.10 172.12 2aas s PRO 114 N 2.38 4.04 -0.12 0.43 0.04 -1.26 -5.05 135.00 135.46 2aas s PRO 114 Ca 0.04 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 2aas s PRO 114 Cb -0.14 -2.67 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 2aas s PRO 114 CO -0.10 -0.33 2.06 -0.47 0.04 0.00 0.00 177.00 178.19 2aas s TYR 115 N -1.42 1.31 0.02 0.56 5.04 -1.20 -4.95 117.35 116.70 2aas s TYR 115 Ca 0.57 0.14 0.05 0.00 -2.44 0.00 0.00 57.07 55.39 2aas s TYR 115 Cb -0.31 -4.06 -0.02 0.00 0.35 0.00 0.00 41.96 37.92 2aas s TYR 115 CO 0.39 -4.56 -0.15 0.14 -1.34 0.00 0.00 175.55 170.03 2aas s VAL 116 N 6.46 1.20 0.00 3.14 -7.23 0.03 -4.82 120.40 119.19 2aas s VAL 116 Ca 0.93 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 2aas s VAL 116 Cb -0.36 -1.04 -0.08 0.00 0.56 0.00 0.00 36.38 35.47 2aas s VAL 116 CO 0.37 0.18 1.83 -2.16 -0.31 0.00 0.00 175.10 175.01 2aas s PRO 117 N -0.76 4.16 -0.20 4.82 0.04 -1.26 -1.11 135.00 140.69 2aas s PRO 117 Ca 0.04 2.44 0.14 0.00 0.04 0.00 0.00 61.00 63.66 2aas s PRO 117 Cb -0.07 -4.06 -0.23 0.00 0.04 0.00 0.00 34.50 30.17 2aas s PRO 117 CO 0.00 -0.90 0.06 1.33 0.04 0.00 0.00 177.00 177.53 2aas n VAL 118 N 5.48 1.43 -3.93 -0.36 0.24 0.79 -4.42 118.33 117.56 2aas n VAL 118 Ca 0.19 -0.80 -0.10 0.00 -2.04 0.00 0.00 64.34 61.59 2aas n VAL 118 Cb 0.42 -0.70 -0.12 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.50 0.15 -0.11 6.34 3.76 -0.97 -3.65 115.29 118.31 2aas s HIS 119 Ca -0.15 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2aas s HIS 119 Cb 0.07 -0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.60 2aas s HIS 119 CO 0.79 -0.16 0.01 0.12 -0.85 0.00 0.00 174.74 174.65 2aas s PHE 120 N -1.07 3.17 0.00 1.40 5.36 -1.26 -0.41 117.98 125.17 2aas s PHE 120 Ca -0.12 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 2aas s PHE 120 Cb -0.07 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 2aas s PHE 120 CO -0.00 0.35 0.00 -3.47 -1.46 0.00 0.00 175.22 170.64 2aas n ASP 121 N 2.56 0.00 -4.08 6.13 2.03 -0.81 -4.97 116.55 117.41 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 -0.02 -0.14 0.00 -0.72 0.00 0.00 41.12 40.78 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 -2.28 0.93 -0.29 -1.67 0.00 -1.22 -5.02 121.76 112.21 2aas s ALA 122 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 2aas s ALA 122 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2aas s ALA 122 CO 0.00 0.19 0.14 -1.12 0.00 0.00 0.00 175.76 174.97 2aas s SER 123 N -0.64 5.50 0.00 0.00 0.01 -1.26 -0.55 113.70 116.76 2aas s SER 123 Ca 0.02 -0.39 0.20 0.00 1.31 0.00 0.00 55.95 57.09 2aas s SER 123 Cb -0.06 -1.99 0.16 0.00 0.21 0.00 0.00 66.02 64.33 2aas s SER 123 CO 0.00 -0.14 1.12 1.33 0.41 0.00 0.00 173.24 175.97