#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3m s GLU 2 N 0.00 4.86 0.62 1.64 2.12 -1.26 -5.03 118.70 121.65 1r3m s GLU 2 Ca 0.00 1.49 -0.13 0.00 0.36 0.00 0.00 54.97 56.69 1r3m s GLU 2 Cb 0.00 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1r3m s GLU 2 CO 0.00 0.52 1.04 -1.54 -0.54 0.00 0.00 175.26 174.73 1r3m s SER 3 N -1.17 5.95 0.25 -1.70 1.04 -1.26 -4.86 113.70 111.94 1r3m s SER 3 Ca 0.41 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 58.38 1r3m s SER 3 Cb -0.26 -2.50 0.26 0.00 0.10 0.00 0.00 66.02 63.62 1r3m s SER 3 CO 0.32 -1.06 1.87 0.00 0.98 0.00 0.00 173.24 175.35 1r3m h ALA 4 N -0.02 1.20 -0.67 5.32 0.00 -1.95 0.29 119.26 123.44 1r3m h ALA 4 Ca -0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1r3m h ALA 4 Cb 1.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1r3m h ALA 4 CO 0.59 0.64 0.34 0.00 0.00 0.00 0.00 179.25 180.83 1r3m h ALA 5 N 1.30 1.36 -0.02 0.00 0.00 -1.89 0.17 119.26 120.19 1r3m h ALA 5 Ca 0.30 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 1r3m h ALA 5 Cb 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.57 1r3m h ALA 5 CO -0.05 0.52 -0.90 0.00 0.00 0.00 0.00 179.25 178.82 1r3m h ALA 6 N 1.45 0.13 -0.69 0.00 0.00 -1.67 -2.31 119.26 116.17 1r3m h ALA 6 Ca 0.23 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1r3m h ALA 6 Cb 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1r3m h ALA 6 CO -0.04 0.59 0.39 -0.22 0.00 0.00 0.00 179.25 179.97 1r3m h LYS 7 N 0.27 0.95 -0.24 0.00 3.64 -0.01 -0.83 116.57 120.35 1r3m h LYS 7 Ca -0.11 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1r3m h LYS 7 Cb 1.56 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1r3m h LYS 7 CO 0.18 0.69 -0.10 0.35 -2.27 0.00 0.00 179.45 178.29 1r3m h PHE 8 N 0.96 0.56 -0.95 1.91 3.57 -0.60 -1.44 116.94 120.95 1r3m h PHE 8 Ca 0.25 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1r3m h PHE 8 Cb 0.01 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1r3m h PHE 8 CO 0.01 0.75 0.62 0.93 -2.23 0.00 0.00 178.31 178.39 1r3m h GLU 9 N 0.21 1.21 -0.17 1.11 5.08 -1.13 0.36 114.58 121.26 1r3m h GLU 9 Ca 0.05 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1r3m h GLU 9 Cb 0.60 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1r3m h GLU 9 CO 0.03 0.80 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.60 1r3m h ARG 10 N 1.25 0.40 0.00 2.33 2.43 -1.13 -2.11 114.38 117.54 1r3m h ARG 10 Ca 0.36 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1r3m h ARG 10 Cb -0.09 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1r3m h ARG 10 CO -0.09 0.76 -0.43 1.96 -1.51 0.00 0.00 179.97 180.66 1r3m h GLN 11 N 0.04 0.00 0.00 0.20 4.20 -1.03 -3.41 115.11 115.12 1r3m h GLN 11 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1r3m h GLN 11 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1r3m h GLN 11 CO 0.04 0.43 -0.14 0.72 -0.67 0.00 0.00 178.83 179.21 1r3m n HIS 12 N -3.31 0.00 -3.77 2.96 8.25 0.13 -4.65 115.22 114.83 1r3m n HIS 12 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.11 1r3m n HIS 12 Cb 0.64 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.69 1r3m n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1r3m s MET 13 N -0.65 3.74 -0.46 -0.41 -1.94 -0.79 0.17 119.30 118.95 1r3m s MET 13 Ca 0.00 -0.07 0.06 0.00 -1.71 0.00 0.00 55.69 53.98 1r3m s MET 13 Cb 0.00 -3.27 0.30 0.00 2.01 0.00 0.00 34.83 33.87 1r3m s MET 13 CO 0.00 0.61 1.01 -3.47 -0.01 0.00 0.00 175.02 173.16 1r3m n ASP 14 N 2.46 -2.22 -4.76 3.03 2.03 0.18 -4.79 116.55 112.47 1r3m n ASP 14 Ca -0.18 -3.52 -0.41 0.00 0.52 0.00 0.00 54.79 51.20 1r3m n ASP 14 Cb 0.54 1.66 -0.01 0.00 -0.72 0.00 0.00 41.12 42.59 1r3m n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1r3m s SER 15 N -1.47 6.33 0.00 1.67 0.01 -1.22 -4.05 113.70 114.97 1r3m s SER 15 Ca 0.26 3.01 0.00 0.00 1.31 0.00 0.00 55.95 60.53 1r3m s SER 15 Cb 0.27 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1r3m s SER 15 CO -0.11 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.22 1r3m n GLY 16 N 1.67 0.56 3.75 3.44 0.00 -0.38 -4.98 105.19 109.24 1r3m n GLY 16 Ca 0.06 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1r3m n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r3m s ASN 17 N -4.00 5.61 0.64 1.61 3.84 -1.26 -4.78 114.94 116.60 1r3m s ASN 17 Ca 0.00 0.25 -0.17 0.00 0.21 0.00 0.00 52.86 53.15 1r3m s ASN 17 Cb 0.00 -1.66 -0.01 0.00 -0.55 0.00 0.00 41.25 39.03 1r3m s ASN 17 CO 0.00 0.39 1.20 -0.44 -2.79 0.00 0.00 177.10 175.45 1r3m s SER 18 N -0.94 4.88 0.82 -4.21 0.01 -1.26 -5.02 113.70 107.98 1r3m s SER 18 Ca 0.14 2.33 -0.02 0.00 1.31 0.00 0.00 55.95 59.71 1r3m s SER 18 Cb -0.12 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.56 1r3m s SER 18 CO 0.03 -1.80 0.07 -0.81 0.41 0.00 0.00 173.24 171.14 1r3m n PRO 19 N -2.03 -1.31 0.00 12.44 -0.04 -1.26 -5.20 135.00 137.60 1r3m n PRO 19 Ca 0.13 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1r3m n PRO 19 Cb 0.50 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 1r3m n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1r3m n SER 22 N -2.46 0.00 0.28 3.54 3.41 -1.26 -4.99 113.62 112.15 1r3m n SER 22 Ca 0.01 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.80 1r3m n SER 22 Cb 0.05 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.73 1r3m n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1r3m h SER 23 N 0.00 0.00 0.12 4.04 4.64 -1.99 -1.14 113.55 119.22 1r3m h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r3m h SER 23 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r3m h SER 23 CO 0.00 0.01 -0.06 -3.20 -0.87 0.00 0.00 176.83 172.71 1r3m n ASN 24 N -3.10 0.84 0.14 4.97 5.15 -1.26 -4.36 115.26 117.63 1r3m n ASN 24 Ca 0.00 -1.07 -0.16 0.00 -0.60 0.00 0.00 54.58 52.75 1r3m n ASN 24 Cb 0.29 -0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.44 1r3m n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1r3m h TYR 25 N 1.23 -1.35 -0.45 1.20 3.20 -1.58 -2.40 116.97 116.82 1r3m h TYR 25 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1r3m h TYR 25 Cb 0.35 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1r3m h TYR 25 CO 0.00 -0.58 0.30 0.00 -1.64 0.00 0.00 178.16 176.24 1r3m h ASN 27 N 0.54 0.52 0.41 0.00 2.35 -1.70 0.17 115.58 117.88 1r3m h ASN 27 Ca 0.17 -0.11 -0.31 0.00 -0.55 0.00 0.00 56.30 55.50 1r3m h ASN 27 Cb 0.03 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1r3m h ASN 27 CO -0.04 0.62 -1.55 -0.07 -1.65 0.00 0.00 177.43 174.74 1r3m h LEU 28 N 0.52 0.44 -0.19 1.61 3.38 -0.90 -3.26 115.31 116.91 1r3m h LEU 28 Ca 0.11 -0.60 -0.22 0.00 0.09 0.00 0.00 57.88 57.25 1r3m h LEU 28 Cb 0.39 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1r3m h LEU 28 CO 0.02 1.50 -0.86 0.24 0.09 0.00 0.00 178.44 179.43 1r3m h MET 29 N 0.08 0.60 0.00 1.13 2.86 -1.06 0.31 114.93 118.84 1r3m h MET 29 Ca -0.25 -0.55 -0.03 0.00 -2.06 0.00 0.00 59.70 56.81 1r3m h MET 29 Cb 2.03 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.82 1r3m h MET 29 CO 0.17 1.17 -0.15 0.52 1.06 0.00 0.00 176.91 179.68 1r3m h MET 30 N 0.38 0.00 0.00 1.72 2.86 -0.81 -1.60 114.93 117.48 1r3m h MET 30 Ca -0.07 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.28 1r3m h MET 30 Cb 1.48 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.10 1r3m h MET 30 CO 0.16 0.15 -1.60 0.00 1.06 0.00 0.00 176.91 176.68 1r3m n ARG 33 N -5.06 1.48 -2.70 0.00 5.12 -0.61 -4.91 116.66 109.98 1r3m n ARG 33 Ca 0.06 -0.51 -0.15 0.00 -1.93 0.00 0.00 57.85 55.31 1r3m n ARG 33 Cb 0.23 -1.34 0.02 0.00 -1.16 0.00 0.00 32.46 30.22 1r3m n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1r3m n LYS 34 N -0.01 -3.01 -0.56 5.56 4.01 -0.28 -4.70 118.16 119.17 1r3m n LYS 34 Ca 0.05 0.64 0.09 0.00 -0.51 0.00 0.00 58.31 58.58 1r3m n LYS 34 Cb 0.25 -4.91 0.33 0.00 -0.51 0.00 0.00 35.03 30.19 1r3m n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1r3m n MET 35 N -2.90 3.60 -0.35 1.97 2.81 0.86 -4.31 117.12 118.79 1r3m n MET 35 Ca -0.09 -2.81 0.07 0.00 -1.81 0.00 0.00 57.70 53.06 1r3m n MET 35 Cb 0.59 -1.83 0.14 0.00 -0.71 0.00 0.00 33.22 31.41 1r3m n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1r3m n THR 36 N 0.92 1.69 -3.59 2.03 -2.24 -1.08 -1.91 114.28 110.09 1r3m n THR 36 Ca 0.24 -2.27 -0.37 0.00 -2.27 0.00 0.00 64.05 59.38 1r3m n THR 36 Cb 0.85 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 1r3m n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1r3m s GLN 37 N -2.54 3.79 0.00 -0.78 -1.52 -1.26 -4.38 119.66 112.97 1r3m s GLN 37 Ca 0.31 0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.97 1r3m s GLN 37 Cb 0.29 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.90 1r3m s GLN 37 CO -0.01 0.68 0.00 0.41 -0.25 0.00 0.00 175.29 176.12 1r3m n GLY 38 N 1.66 0.73 3.74 3.09 0.00 -1.26 -4.69 105.19 108.46 1r3m n GLY 38 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1r3m n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r3m s LYS 39 N 0.00 1.17 -0.08 1.61 -2.85 -1.26 -5.05 119.74 113.27 1r3m s LYS 39 Ca 0.00 -0.64 -0.20 0.00 -1.00 0.00 0.00 55.97 54.14 1r3m s LYS 39 Cb 0.00 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 1r3m s LYS 39 CO 0.00 -0.53 0.54 0.00 0.10 0.00 0.00 175.35 175.46 1r3m s LYS 41 N 0.48 4.24 0.14 0.00 2.20 -0.81 -4.94 119.74 121.06 1r3m s LYS 41 Ca 0.29 1.67 -0.29 0.00 -0.36 0.00 0.00 55.97 57.28 1r3m s LYS 41 Cb -0.16 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 1r3m s LYS 41 CO 0.13 -0.68 1.57 -1.35 -0.36 0.00 0.00 175.35 174.66 1r3m h PRO 42 N 8.13 -0.39 -4.19 4.03 0.11 -1.94 -3.43 132.00 134.32 1r3m h PRO 42 Ca -0.27 0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.59 1r3m h PRO 42 Cb 1.11 0.09 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 1r3m h PRO 42 CO 0.96 -0.26 -0.73 0.08 -0.21 0.00 0.00 178.00 177.84 1r3m s VAL 43 N -5.81 0.30 -0.13 3.15 1.01 -1.26 -0.64 120.40 117.02 1r3m s VAL 43 Ca -0.15 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 1r3m s VAL 43 Cb 0.10 -0.32 0.05 0.00 0.00 0.00 0.00 36.38 36.22 1r3m s VAL 43 CO 0.64 -0.10 0.55 0.21 0.00 0.00 0.00 175.10 176.40 1r3m s ASN 44 N -0.60 -0.54 -0.05 3.32 2.47 0.34 -5.00 114.94 114.89 1r3m s ASN 44 Ca -0.04 0.84 0.06 0.00 0.42 0.00 0.00 52.86 54.14 1r3m s ASN 44 Cb -0.04 0.84 -0.01 0.00 -1.45 0.00 0.00 41.25 40.59 1r3m s ASN 44 CO -0.00 -0.36 -0.22 -0.89 -3.72 0.00 0.00 177.10 171.91 1r3m s THR 45 N -0.40 1.82 -0.06 -5.21 2.01 -1.26 0.07 115.64 112.61 1r3m s THR 45 Ca -0.05 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1r3m s THR 45 Cb -0.03 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1r3m s THR 45 CO 0.04 0.51 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.07 1r3m s PHE 46 N -0.15 2.97 -0.10 4.92 0.08 -0.92 -4.38 117.98 120.40 1r3m s PHE 46 Ca -0.02 0.05 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 1r3m s PHE 46 Cb -0.12 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1r3m s PHE 46 CO 0.03 0.36 0.00 0.08 -0.10 0.00 0.00 175.22 175.59 1r3m s VAL 47 N -0.86 4.32 -2.28 -0.44 1.01 0.44 -1.69 120.40 120.90 1r3m s VAL 47 Ca 0.13 -0.23 0.19 0.00 0.00 0.00 0.00 61.98 62.07 1r3m s VAL 47 Cb -0.11 -2.84 0.13 0.00 0.00 0.00 0.00 36.38 33.56 1r3m s VAL 47 CO 0.03 0.58 1.08 1.41 0.00 0.00 0.00 175.10 178.20 1r3m n HIS 48 N 2.39 0.00 -1.80 5.22 -0.00 0.31 -0.65 115.22 120.69 1r3m n HIS 48 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.24 1r3m n HIS 48 Cb 0.53 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.69 1r3m n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1r3m s GLU 49 N -1.67 0.73 0.60 -0.41 0.41 -1.25 -1.25 118.70 115.86 1r3m s GLU 49 Ca 0.21 -0.22 -0.15 0.00 -0.41 0.00 0.00 54.97 54.41 1r3m s GLU 49 Cb 0.16 -1.84 -0.03 0.00 -1.78 0.00 0.00 34.13 30.64 1r3m s GLU 49 CO 0.27 -2.38 1.05 -1.54 -0.49 0.00 0.00 175.26 172.17 1r3m s SER 50 N -4.65 5.83 0.28 -0.19 1.04 -1.26 -4.13 113.70 110.61 1r3m s SER 50 Ca 0.71 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.88 1r3m s SER 50 Cb -0.07 -2.52 0.57 0.00 0.10 0.00 0.00 66.02 64.10 1r3m s SER 50 CO 0.53 -1.14 1.83 0.25 0.98 0.00 0.00 173.24 175.69 1r3m h LEU 51 N 0.24 0.92 -0.34 2.42 5.85 -1.97 -0.88 115.31 121.56 1r3m h LEU 51 Ca -0.46 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1r3m h LEU 51 Cb 1.21 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1r3m h LEU 51 CO 0.58 0.48 0.13 0.00 -0.34 0.00 0.00 178.44 179.29 1r3m h ALA 52 N 1.55 0.44 -0.47 1.25 0.00 -1.98 0.18 119.26 120.23 1r3m h ALA 52 Ca 0.51 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1r3m h ALA 52 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1r3m h ALA 52 CO -0.28 0.05 0.13 -0.44 0.00 0.00 0.00 179.25 178.71 1r3m h ASP 53 N 0.40 0.65 -0.09 0.00 3.32 -1.59 0.29 116.42 119.41 1r3m h ASP 53 Ca 0.11 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1r3m h ASP 53 Cb 0.20 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1r3m h ASP 53 CO -0.01 0.63 -0.47 0.58 -1.72 0.00 0.00 179.24 178.26 1r3m h VAL 54 N 0.69 1.39 -0.61 -1.35 2.07 -0.86 -3.24 116.25 114.34 1r3m h VAL 54 Ca 0.16 -1.82 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 1r3m h VAL 54 Cb 0.23 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1r3m h VAL 54 CO -0.01 0.54 0.10 0.11 0.02 0.00 0.00 177.57 178.33 1r3m h LYS 55 N 0.03 0.99 -0.13 1.57 1.57 -0.52 -1.49 116.57 118.59 1r3m h LYS 55 Ca -0.03 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1r3m h LYS 55 Cb 1.12 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1r3m h LYS 55 CO 0.10 0.91 0.14 0.00 -0.57 0.00 0.00 179.45 180.02 1r3m h ALA 56 N 1.17 1.75 -0.21 3.86 0.00 -0.98 -1.21 119.26 123.64 1r3m h ALA 56 Ca 0.19 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1r3m h ALA 56 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1r3m h ALA 56 CO 0.01 -0.20 0.27 0.28 0.00 0.00 0.00 179.25 179.61 1r3m h VAL 57 N 0.00 0.38 0.00 0.00 2.07 -1.29 0.11 116.25 117.52 1r3m h VAL 57 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1r3m h VAL 57 Cb 0.33 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1r3m h VAL 57 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1r3m n SER 59 N -1.23 2.18 -0.42 0.00 7.64 0.37 -5.02 113.62 117.13 1r3m n SER 59 Ca 0.09 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1r3m n SER 59 Cb 0.12 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1r3m n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3m n GLN 60 N 0.75 3.64 -1.80 1.43 6.02 -0.14 -5.01 117.38 122.27 1r3m n GLN 60 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 1r3m n GLN 60 Cb 0.34 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.57 1r3m n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1r3m s LYS 61 N 3.45 3.87 0.31 -1.09 2.20 -1.18 -4.82 119.74 122.48 1r3m s LYS 61 Ca 0.00 2.24 -0.28 0.00 -0.36 0.00 0.00 55.97 57.56 1r3m s LYS 61 Cb 0.00 -4.15 -0.09 0.00 -1.51 0.00 0.00 37.83 32.07 1r3m s LYS 61 CO 0.00 -1.24 1.11 0.15 -0.36 0.00 0.00 175.35 175.01 1r3m s LYS 62 N 4.82 4.49 0.03 4.03 1.02 -1.26 -0.03 119.74 132.84 1r3m s LYS 62 Ca 0.85 1.80 -0.11 0.00 0.02 0.00 0.00 55.97 58.52 1r3m s LYS 62 Cb -0.36 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1r3m s LYS 62 CO 0.36 0.08 0.24 0.14 -0.92 0.00 0.00 175.35 175.25 1r3m s VAL 63 N -1.26 0.09 0.15 3.17 -7.23 -0.21 -4.86 120.40 110.25 1r3m s VAL 63 Ca 0.48 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 1r3m s VAL 63 Cb -0.31 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.70 1r3m s VAL 63 CO 0.40 -0.42 0.91 -0.89 -0.31 0.00 0.00 175.10 174.79 1r3m s THR 64 N -2.37 4.39 0.94 5.32 2.01 -1.26 -2.92 115.64 121.74 1r3m s THR 64 Ca -0.06 1.98 -0.11 0.00 0.31 0.00 0.00 61.69 63.80 1r3m s THR 64 Cb -0.02 -4.28 0.15 0.00 0.01 0.00 0.00 72.50 68.37 1r3m s THR 64 CO -0.03 0.40 1.10 0.00 -0.69 0.00 0.00 174.62 175.41 1r3m h LYS 66 N -1.83 0.00 -0.76 0.00 1.57 -1.89 -1.99 116.57 111.67 1r3m h LYS 66 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1r3m h LYS 66 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1r3m h LYS 66 CO 0.47 0.13 0.01 0.27 -0.57 0.00 0.00 179.45 179.77 1r3m n ASN 67 N -3.74 3.85 0.00 0.86 0.23 -1.26 -4.90 115.26 110.29 1r3m n ASN 67 Ca -0.02 -2.57 0.00 0.00 -0.53 0.00 0.00 54.58 51.46 1r3m n ASN 67 Cb 0.24 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 1r3m n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r3m n GLY 68 N 0.35 3.01 3.67 4.83 0.00 -0.75 -5.00 105.19 111.29 1r3m n GLY 68 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1r3m n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r3m s GLN 69 N -0.13 0.98 -0.23 1.61 -0.21 -1.26 -4.65 119.66 115.77 1r3m s GLN 69 Ca 0.00 1.31 0.11 0.00 0.02 0.00 0.00 55.36 56.80 1r3m s GLN 69 Cb 0.00 -1.74 0.43 0.00 1.00 0.00 0.00 33.01 32.70 1r3m s GLN 69 CO 0.00 -2.58 1.21 0.25 -2.12 0.00 0.00 175.29 172.05 1r3m n THR 70 N -4.18 2.20 -1.73 -0.19 -2.24 -1.26 0.74 114.28 107.63 1r3m n THR 70 Ca 0.10 -3.45 -0.12 0.00 -2.27 0.00 0.00 64.05 58.31 1r3m n THR 70 Cb 0.53 -0.44 0.12 0.00 -2.10 0.00 0.00 70.33 68.44 1r3m n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1r3m n ASN 71 N -0.92 3.63 -4.86 3.42 6.94 -1.26 -4.91 115.26 117.30 1r3m n ASN 71 Ca 0.26 -3.81 -0.31 0.00 -0.02 0.00 0.00 54.58 50.70 1r3m n ASN 71 Cb 0.80 -0.51 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 1r3m n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1r3m s TYR 73 N -1.44 0.50 -0.12 0.00 2.02 -0.05 -1.04 117.35 117.22 1r3m s TYR 73 Ca 0.32 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1r3m s TYR 73 Cb -0.13 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.10 1r3m s TYR 73 CO 0.24 -0.06 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.97 1r3m s GLN 74 N -0.92 3.29 0.18 -0.62 0.74 0.96 -1.00 119.66 122.29 1r3m s GLN 74 Ca -0.06 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 54.52 1r3m s GLN 74 Cb -0.06 -2.77 -0.09 0.00 1.10 0.00 0.00 33.01 31.19 1r3m s GLN 74 CO 0.00 0.42 1.32 -1.54 -0.55 0.00 0.00 175.29 174.94 1r3m s SER 75 N -0.13 6.88 0.15 6.67 1.04 -0.13 -3.13 113.70 125.06 1r3m s SER 75 Ca 0.02 2.38 -0.15 0.00 0.48 0.00 0.00 55.95 58.69 1r3m s SER 75 Cb -0.13 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.42 1r3m s SER 75 CO 0.03 -0.55 1.75 0.07 0.98 0.00 0.00 173.24 175.51 1r3m h LYS 76 N 5.65 0.67 -6.28 4.02 2.10 -1.95 -3.42 116.57 117.36 1r3m h LYS 76 Ca -0.44 -0.09 -0.46 0.00 -2.00 0.00 0.00 60.65 57.66 1r3m h LYS 76 Cb 1.21 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1r3m h LYS 76 CO 0.79 0.54 -0.37 -1.12 -2.00 0.00 0.00 179.45 177.28 1r3m s SER 77 N -5.80 5.64 0.61 7.07 0.01 -1.26 -5.03 113.70 114.93 1r3m s SER 77 Ca -0.13 -0.35 -0.11 0.00 1.31 0.00 0.00 55.95 56.67 1r3m s SER 77 Cb 0.11 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 1r3m s SER 77 CO 0.75 -0.45 1.01 0.42 0.41 0.00 0.00 173.24 175.39 1r3m s THR 78 N -2.25 4.72 0.06 1.44 -4.23 -1.26 -4.34 115.64 109.78 1r3m s THR 78 Ca 0.45 0.83 0.02 0.00 -1.18 0.00 0.00 61.69 61.80 1r3m s THR 78 Cb -0.08 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 1r3m s THR 78 CO 0.29 -1.12 -0.07 -0.04 -0.54 0.00 0.00 174.62 173.15 1r3m s MET 79 N -5.12 0.65 -0.36 3.99 1.00 0.18 -4.85 119.30 114.78 1r3m s MET 79 Ca 0.54 -1.01 -0.25 0.00 0.00 0.00 0.00 55.69 54.97 1r3m s MET 79 Cb -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 34.83 34.53 1r3m s MET 79 CO 0.53 0.01 0.89 1.03 0.00 0.00 0.00 175.02 177.47 1r3m s ARG 80 N -2.65 3.84 0.22 2.03 0.52 -1.26 -1.76 118.95 119.90 1r3m s ARG 80 Ca -0.00 0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.77 1r3m s ARG 80 Cb -0.03 -3.80 -0.05 0.00 0.52 0.00 0.00 34.95 31.60 1r3m s ARG 80 CO -0.02 -0.90 0.02 0.96 0.02 0.00 0.00 175.30 175.37 1r3m s ILE 81 N 3.36 0.88 -0.11 1.52 -4.36 -0.70 -0.53 121.20 121.25 1r3m s ILE 81 Ca 0.36 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1r3m s ILE 81 Cb -0.12 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.25 1r3m s ILE 81 CO 0.18 -0.30 -0.13 -0.89 0.24 0.00 0.00 174.94 174.04 1r3m s THR 82 N -3.52 1.35 -0.17 8.37 2.01 -0.68 -0.68 115.64 122.32 1r3m s THR 82 Ca 0.29 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.55 1r3m s THR 82 Cb 0.06 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1r3m s THR 82 CO 0.09 0.42 0.61 -0.62 -0.69 0.00 0.00 174.62 174.43 1r3m s ASP 83 N 1.24 6.72 -0.18 3.53 2.15 0.31 -2.17 116.67 128.27 1r3m s ASP 83 Ca -0.02 0.87 -0.02 0.00 0.43 0.00 0.00 52.55 53.81 1r3m s ASP 83 Cb -0.14 -2.35 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 1r3m s ASP 83 CO -0.05 -0.21 -0.10 0.00 -0.17 0.00 0.00 175.17 174.64 1r3m s ARG 85 N 0.97 0.91 0.25 0.00 0.52 -0.59 -0.50 118.95 120.50 1r3m s ARG 85 Ca -0.01 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.22 1r3m s ARG 85 Cb -0.15 -0.89 -0.09 0.00 0.52 0.00 0.00 34.95 34.34 1r3m s ARG 85 CO -0.01 0.22 1.17 -2.00 0.02 0.00 0.00 175.30 174.70 1r3m s GLU 86 N -0.98 4.54 0.51 3.54 2.12 0.19 -0.07 118.70 128.56 1r3m s GLU 86 Ca 0.02 1.89 -0.06 0.00 0.36 0.00 0.00 54.97 57.17 1r3m s GLU 86 Cb -0.07 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1r3m s GLU 86 CO 0.01 0.04 0.83 0.95 -0.54 0.00 0.00 175.26 176.55 1r3m s THR 87 N -0.72 4.77 0.39 -1.70 -4.23 -0.90 -4.81 115.64 108.43 1r3m s THR 87 Ca 0.48 0.29 0.06 0.00 -1.18 0.00 0.00 61.69 61.34 1r3m s THR 87 Cb -0.33 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 69.93 1r3m s THR 87 CO 0.41 -0.86 2.03 1.23 -0.54 0.00 0.00 174.62 176.89 1r3m h GLY 88 N 0.10 0.64 2.00 3.99 0.00 -1.95 -1.25 103.07 106.60 1r3m h GLY 88 Ca -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1r3m h GLY 88 CO 0.62 0.25 0.00 1.44 0.00 0.00 0.00 176.54 178.84 1r3m n SER 89 N -4.45 0.47 -4.69 0.19 7.64 -1.26 -4.76 113.62 106.76 1r3m n SER 89 Ca 0.04 0.59 -0.42 0.00 1.01 0.00 0.00 58.87 60.08 1r3m n SER 89 Cb 0.07 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.55 1r3m n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r3m s SER 90 N -3.87 7.08 -0.15 6.43 0.15 -0.47 -4.92 113.70 117.95 1r3m s SER 90 Ca 0.07 1.82 -0.04 0.00 0.70 0.00 0.00 55.95 58.50 1r3m s SER 90 Cb 0.11 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.93 1r3m s SER 90 CO 0.41 -0.55 0.24 -1.59 1.20 0.00 0.00 173.24 172.96 1r3m s LYS 91 N 1.99 0.15 0.33 5.44 -2.85 -0.79 -4.87 119.74 119.15 1r3m s LYS 91 Ca 0.56 0.55 -0.28 0.00 -1.00 0.00 0.00 55.97 55.80 1r3m s LYS 91 Cb -0.25 -0.44 -0.13 0.00 -2.06 0.00 0.00 37.83 34.95 1r3m s LYS 91 CO 0.23 -0.42 1.15 0.98 0.10 0.00 0.00 175.35 177.40 1r3m n TYR 92 N 5.34 1.78 1.82 1.78 9.36 -1.26 0.26 117.16 136.24 1r3m n TYR 92 Ca -0.06 0.61 0.15 0.00 3.32 0.00 0.00 57.90 61.92 1r3m n TYR 92 Cb 0.50 -2.33 0.86 0.00 -0.63 0.00 0.00 39.34 37.74 1r3m n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1r3m n PRO 93 N 0.57 0.91 -1.76 2.98 -0.04 -1.26 -4.95 135.00 131.45 1r3m n PRO 93 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 1r3m n PRO 93 Cb 0.35 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1r3m n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1r3m n ASN 94 N -1.00 7.41 -4.56 3.54 4.13 0.73 -4.94 115.26 120.57 1r3m n ASN 94 Ca 0.22 -2.89 -0.39 0.00 1.68 0.00 0.00 54.58 53.20 1r3m n ASN 94 Cb 0.10 -1.49 -0.03 0.00 -1.54 0.00 0.00 39.78 36.83 1r3m n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r3m s ALA 96 N 9.01 3.22 0.04 0.00 0.00 -1.26 -4.95 121.76 127.82 1r3m s ALA 96 Ca 0.73 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1r3m s ALA 96 Cb -0.15 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 1r3m s ALA 96 CO 0.24 0.65 -0.10 0.71 0.00 0.00 0.00 175.76 177.26 1r3m s TYR 97 N -1.12 0.87 -0.32 0.00 2.02 -1.26 -2.12 117.35 115.42 1r3m s TYR 97 Ca 0.20 -0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 56.36 1r3m s TYR 97 Cb -0.11 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 40.91 1r3m s TYR 97 CO 0.12 -0.02 0.21 0.21 -1.57 0.00 0.00 175.55 174.49 1r3m s LYS 98 N -1.42 3.59 -0.06 -0.62 2.47 0.90 -4.62 119.74 119.99 1r3m s LYS 98 Ca -0.05 -0.57 -0.21 0.00 -1.56 0.00 0.00 55.97 53.58 1r3m s LYS 98 Cb -0.09 -3.71 -0.04 0.00 -1.46 0.00 0.00 37.83 32.52 1r3m s LYS 98 CO 0.01 -0.36 0.60 0.99 0.16 0.00 0.00 175.35 176.74 1r3m s THR 99 N 1.71 5.04 -0.05 3.43 2.01 -1.26 -1.54 115.64 124.97 1r3m s THR 99 Ca 0.06 1.23 -0.02 0.00 0.31 0.00 0.00 61.69 63.26 1r3m s THR 99 Cb -0.17 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.44 1r3m s THR 99 CO 0.10 0.33 0.09 -0.89 -0.69 0.00 0.00 174.62 173.56 1r3m s THR 100 N 0.38 -0.15 -0.10 -0.82 2.01 -0.25 -4.97 115.64 111.74 1r3m s THR 100 Ca 0.32 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.54 1r3m s THR 100 Cb -0.17 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1r3m s THR 100 CO 0.15 0.17 0.50 -1.10 -0.69 0.00 0.00 174.62 173.66 1r3m s GLN 101 N 2.18 4.32 0.18 4.92 -0.21 -1.26 0.12 119.66 129.91 1r3m s GLN 101 Ca 0.04 0.51 -0.02 0.00 0.02 0.00 0.00 55.36 55.91 1r3m s GLN 101 Cb -0.12 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1r3m s GLN 101 CO -0.04 0.20 0.15 0.14 -2.12 0.00 0.00 175.29 173.61 1r3m s VAL 102 N 0.47 0.03 -0.25 1.09 -7.23 0.15 -4.95 120.40 109.72 1r3m s VAL 102 Ca 0.27 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1r3m s VAL 102 Cb -0.16 -2.31 0.06 0.00 0.56 0.00 0.00 36.38 34.54 1r3m s VAL 102 CO 0.12 -0.15 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.11 1r3m s GLU 103 N -4.11 1.60 0.17 4.82 2.02 -1.26 -1.72 118.70 120.22 1r3m s GLU 103 Ca 0.32 -1.06 -0.11 0.00 0.02 0.00 0.00 54.97 54.14 1r3m s GLU 103 Cb 0.06 -2.61 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 1r3m s GLU 103 CO 0.08 -0.64 0.33 0.15 0.02 0.00 0.00 175.26 175.21 1r3m s LYS 104 N 1.36 1.19 0.50 1.61 1.02 -0.72 -4.80 119.74 119.91 1r3m s LYS 104 Ca -0.04 -1.10 -0.19 0.00 0.02 0.00 0.00 55.97 54.65 1r3m s LYS 104 Cb -0.19 0.41 -0.08 0.00 -0.52 0.00 0.00 37.83 37.45 1r3m s LYS 104 CO -0.07 -0.45 1.04 -1.01 -0.92 0.00 0.00 175.35 173.94 1r3m s HIS 105 N -3.94 3.01 0.14 3.18 3.76 0.86 0.48 115.29 122.78 1r3m s HIS 105 Ca 0.15 1.56 0.10 0.00 -0.15 0.00 0.00 55.06 56.72 1r3m s HIS 105 Cb 0.02 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.63 1r3m s HIS 105 CO -0.01 -0.86 -0.18 0.96 -0.85 0.00 0.00 174.74 173.80 1r3m s ILE 106 N -2.07 2.77 -0.16 0.60 -4.36 -1.26 -0.82 121.20 115.90 1r3m s ILE 106 Ca 0.66 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 59.42 1r3m s ILE 106 Cb -0.16 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.27 1r3m s ILE 106 CO 0.23 0.02 -0.18 -0.63 0.24 0.00 0.00 174.94 174.62 1r3m s ILE 107 N -1.32 1.88 0.10 8.37 1.01 0.24 -0.95 121.20 130.52 1r3m s ILE 107 Ca 0.19 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.09 1r3m s ILE 107 Cb -0.10 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1r3m s ILE 107 CO 0.11 0.51 -0.21 0.68 0.00 0.00 0.00 174.94 176.03 1r3m s VAL 108 N 1.26 1.71 0.04 2.92 -7.23 -0.17 -0.22 120.40 118.71 1r3m s VAL 108 Ca 0.03 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.48 1r3m s VAL 108 Cb -0.13 -1.55 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1r3m s VAL 108 CO -0.10 -0.03 0.62 0.00 -0.31 0.00 0.00 175.10 175.28 1r3m s ALA 109 N -1.12 3.50 -0.12 1.32 0.00 0.16 -0.87 121.76 124.64 1r3m s ALA 109 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1r3m s ALA 109 Cb -0.10 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1r3m s ALA 109 CO 0.04 0.23 -0.14 0.00 0.00 0.00 0.00 175.76 175.90 1r3m s GLY 111 N 0.17 0.87 0.00 0.00 0.00 0.28 -4.80 107.32 103.84 1r3m s GLY 111 Ca -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1r3m s GLY 111 CO 0.05 -0.99 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1r3m n GLY 112 N -0.29 -2.61 2.71 0.20 0.00 -1.26 -1.80 105.19 102.13 1r3m n GLY 112 Ca -0.02 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 1r3m n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3m s LYS 113 N -0.53 0.56 0.68 1.61 -0.14 -1.26 -2.47 119.74 118.18 1r3m s LYS 113 Ca 0.00 -0.44 -0.12 0.00 -1.36 0.00 0.00 55.97 54.05 1r3m s LYS 113 Cb 0.00 -2.02 -0.00 0.00 -1.68 0.00 0.00 37.83 34.13 1r3m s LYS 113 CO 0.00 -0.69 1.06 -1.25 -0.76 0.00 0.00 175.35 173.71 1r3m s PRO 114 N 1.89 3.01 -0.28 -1.68 0.04 -1.26 -5.06 135.00 131.65 1r3m s PRO 114 Ca 0.01 1.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.77 1r3m s PRO 114 Cb -0.17 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1r3m s PRO 114 CO -0.11 -1.05 1.85 0.45 0.04 0.00 0.00 177.00 178.18 1r3m s SER 115 N -3.59 5.92 0.26 6.66 0.15 -1.03 -4.87 113.70 117.19 1r3m s SER 115 Ca 0.59 1.51 0.04 0.00 0.70 0.00 0.00 55.95 58.80 1r3m s SER 115 Cb -0.14 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 1r3m s SER 115 CO 0.51 -1.65 0.00 0.68 1.20 0.00 0.00 173.24 173.98 1r3m s VAL 116 N 6.75 1.14 0.21 4.45 -7.23 -0.75 -4.82 120.40 120.16 1r3m s VAL 116 Ca 0.82 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 1r3m s VAL 116 Cb -0.25 -2.45 -0.11 0.00 0.56 0.00 0.00 36.38 34.13 1r3m s VAL 116 CO 0.34 -0.25 1.62 -2.84 -0.31 0.00 0.00 175.10 173.65 1r3m s PRO 117 N -3.85 4.17 0.00 4.82 0.02 -1.26 -0.55 135.00 138.34 1r3m s PRO 117 Ca 0.30 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1r3m s PRO 117 Cb 0.06 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1r3m s PRO 117 CO 0.11 -0.65 0.00 1.33 -0.33 0.00 0.00 177.00 177.46 1r3m n VAL 118 N 3.49 0.00 -3.69 3.83 0.24 0.49 -4.29 118.33 118.40 1r3m n VAL 118 Ca 0.13 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 1r3m n VAL 118 Cb 0.37 0.69 -0.08 0.00 -1.47 0.00 0.00 33.84 33.35 1r3m n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1r3m s HIS 119 N -1.20 -0.38 -0.36 6.34 3.76 -1.17 -4.60 115.29 117.67 1r3m s HIS 119 Ca 0.00 0.74 -0.14 0.00 -0.15 0.00 0.00 55.06 55.51 1r3m s HIS 119 Cb 0.00 0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.88 1r3m s HIS 119 CO 0.00 -0.40 0.27 0.12 -0.85 0.00 0.00 174.74 173.87 1r3m s PHE 120 N -0.86 3.23 -0.12 1.40 2.19 -1.26 -0.66 117.98 121.90 1r3m s PHE 120 Ca -0.09 -0.30 -0.19 0.00 0.33 0.00 0.00 56.93 56.68 1r3m s PHE 120 Cb -0.03 -2.52 -0.26 0.00 -1.31 0.00 0.00 43.02 38.89 1r3m s PHE 120 CO 0.05 -0.43 0.57 0.22 1.83 0.00 0.00 175.22 177.46 1r3m h ASP 121 N 8.53 0.28 -5.97 6.13 3.58 -0.93 -3.48 116.42 124.56 1r3m h ASP 121 Ca -0.30 -0.83 0.39 0.00 0.42 0.00 0.00 57.03 56.71 1r3m h ASP 121 Cb 1.15 -0.09 -0.13 0.00 1.72 0.00 0.00 39.33 41.98 1r3m h ASP 121 CO 0.66 1.48 0.98 0.00 -2.88 0.00 0.00 179.24 179.49 1r3m s ALA 122 N -2.42 -2.53 0.09 -0.78 0.00 -0.87 -4.87 121.76 110.38 1r3m s ALA 122 Ca -0.20 0.82 0.08 0.00 0.00 0.00 0.00 51.96 52.65 1r3m s ALA 122 Cb 0.03 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1r3m s ALA 122 CO 0.73 -1.08 -0.21 -1.54 0.00 0.00 0.00 175.76 173.67 1r3m s SER 123 N -3.14 2.49 0.00 0.00 1.04 -1.26 0.80 113.70 113.62 1r3m s SER 123 Ca 0.18 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1r3m s SER 123 Cb 0.06 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1r3m s SER 123 CO -0.06 0.08 0.00 0.55 0.98 0.00 0.00 173.24 174.79