#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 4.13 0.58 1.64 2.12 -1.26 -4.95 118.70 120.96 1r3m s GLU 2 Ca 0.00 2.55 -0.17 0.00 0.36 0.00 0.00 54.97 57.71 1r3m s GLU 2 Cb 0.00 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1r3m s GLU 2 CO 0.00 -0.59 1.06 -1.54 -0.54 0.00 0.00 175.26 173.65 1r3m s SER 3 N 0.38 5.85 0.26 -1.70 1.04 -1.26 -4.86 113.70 113.41 1r3m s SER 3 Ca 0.61 1.86 -0.05 0.00 0.48 0.00 0.00 55.95 58.85 1r3m s SER 3 Cb -0.47 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.42 1r3m s SER 3 CO 0.50 -1.12 1.93 0.00 0.98 0.00 0.00 173.24 175.53 1r3m h ALA 4 N 0.64 1.32 -0.11 5.32 0.00 -1.94 0.26 119.26 124.74 1r3m h ALA 4 Ca -0.47 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1r3m h ALA 4 Cb 1.22 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1r3m h ALA 4 CO 0.58 0.62 0.05 0.00 0.00 0.00 0.00 179.25 180.50 1r3m h ALA 5 N 1.40 0.14 -0.61 0.00 0.00 -1.91 -0.51 119.26 117.77 1r3m h ALA 5 Ca 0.37 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1r3m h ALA 5 Cb -0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1r3m h ALA 5 CO -0.09 -0.30 0.04 0.00 0.00 0.00 0.00 179.25 178.90 1r3m h ALA 6 N 0.93 0.91 -0.52 0.00 0.00 -1.82 -1.83 119.26 116.92 1r3m h ALA 6 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1r3m h ALA 6 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1r3m h ALA 6 CO -0.00 0.66 0.13 -0.22 0.00 0.00 0.00 179.25 179.81 1r3m h LYS 7 N 0.96 0.80 -0.33 0.00 3.64 -0.25 -1.30 116.57 120.09 1r3m h LYS 7 Ca 0.18 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1r3m h LYS 7 Cb 0.50 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1r3m h LYS 7 CO 0.02 0.72 -0.21 0.35 -2.27 0.00 0.00 179.45 178.06 1r3m h PHE 8 N 0.77 0.85 -0.58 1.91 3.57 -0.69 -0.82 116.94 121.95 1r3m h PHE 8 Ca 0.17 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1r3m h PHE 8 Cb 0.28 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1r3m h PHE 8 CO 0.02 0.96 0.29 0.93 -2.23 0.00 0.00 178.31 178.27 1r3m h GLU 9 N 0.49 0.82 -0.05 1.11 5.08 -1.00 0.65 114.58 121.69 1r3m h GLU 9 Ca 0.07 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1r3m h GLU 9 Cb 0.76 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1r3m h GLU 9 CO 0.06 0.63 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.34 1r3m h ARG 10 N 0.82 0.26 0.00 2.33 2.43 -1.17 -2.33 114.38 116.72 1r3m h ARG 10 Ca 0.21 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1r3m h ARG 10 Cb 0.07 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1r3m h ARG 10 CO -0.03 0.88 -0.56 1.96 -1.51 0.00 0.00 179.97 180.71 1r3m h GLN 11 N -0.28 0.00 0.00 0.20 4.20 -0.96 -3.42 115.11 114.85 1r3m h GLN 11 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1r3m h GLN 11 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1r3m h GLN 11 CO 0.06 0.56 0.00 0.72 -0.67 0.00 0.00 178.83 179.49 1r3m n HIS 12 N -3.28 0.00 -3.80 2.96 8.25 0.23 -4.71 115.22 114.86 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 0.74 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.45 3.63 -0.46 -0.41 -1.94 -0.87 0.95 119.30 119.75 1r3m s MET 13 Ca 0.00 -0.07 0.07 0.00 -1.71 0.00 0.00 55.69 53.98 1r3m s MET 13 Cb 0.00 -3.24 0.30 0.00 2.01 0.00 0.00 34.83 33.91 1r3m s MET 13 CO 0.00 0.68 1.02 -3.47 -0.01 0.00 0.00 175.02 173.24 1r3m n ASP 14 N 2.24 -2.17 -4.57 3.03 2.03 0.11 -4.77 116.55 112.46 1r3m n ASP 14 Ca -0.18 -3.53 -0.35 0.00 0.52 0.00 0.00 54.79 51.25 1r3m n ASP 14 Cb 0.54 1.64 0.10 0.00 -0.72 0.00 0.00 41.12 42.68 1r3m n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1r3m n SER 15 N 0.70 -0.18 0.00 1.67 7.64 -1.19 -3.82 113.62 118.45 1r3m n SER 15 Ca 0.09 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1r3m n SER 15 Cb 0.67 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1r3m n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r3m n GLY 16 N 1.11 1.36 3.17 0.23 0.00 -0.93 -4.95 105.19 105.18 1r3m n GLY 16 Ca 0.11 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 1r3m n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r3m s ASN 17 N -4.00 1.43 0.29 1.61 -0.87 -1.26 -4.82 114.94 107.31 1r3m s ASN 17 Ca 0.00 -0.81 -0.29 0.00 -1.57 0.00 0.00 52.86 50.19 1r3m s ASN 17 Cb 0.00 0.01 -0.10 0.00 -0.02 0.00 0.00 41.25 41.14 1r3m s ASN 17 CO 0.00 -0.27 1.15 -0.44 -2.57 0.00 0.00 177.10 174.98 1r3m s SER 18 N -2.44 7.14 0.54 -1.22 0.01 -1.26 -4.95 113.70 111.53 1r3m s SER 18 Ca 0.05 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1r3m s SER 18 Cb -0.03 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1r3m s SER 18 CO -0.00 -0.25 0.00 -0.81 0.41 0.00 0.00 173.24 172.59 1r3m n PRO 19 N 1.11 -0.03 0.00 12.44 -0.04 -1.26 -5.20 135.00 142.02 1r3m n PRO 19 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1r3m n PRO 19 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.63 0.00 0.23 3.54 3.41 -1.26 -5.00 113.62 112.91 1r3m n SER 22 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1r3m n SER 22 Cb 0.00 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.11 4.04 4.64 -1.99 -0.54 113.55 119.59 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 0.22 0.00 0.59 -0.87 0.00 0.00 176.83 176.77 1r3m n ASN 24 N -3.71 1.90 0.06 4.97 4.13 -1.26 -4.43 115.26 116.92 1r3m n ASN 24 Ca -0.01 -1.68 -0.11 0.00 1.68 0.00 0.00 54.58 54.45 1r3m n ASN 24 Cb 0.33 -0.06 -0.05 0.00 -1.54 0.00 0.00 39.78 38.46 1r3m n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1r3m h TYR 25 N 2.75 -0.76 -0.77 3.10 3.20 -1.47 -1.11 116.97 121.91 1r3m h TYR 25 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1r3m h TYR 25 Cb 0.59 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1r3m h TYR 25 CO 0.06 -0.37 0.42 0.00 -1.64 0.00 0.00 178.16 176.63 1r3m h ASN 27 N 1.08 1.06 0.74 0.00 2.35 -1.65 0.29 115.58 119.44 1r3m h ASN 27 Ca 0.27 -0.19 -0.18 0.00 -0.55 0.00 0.00 56.30 55.65 1r3m h ASN 27 Cb 0.04 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1r3m h ASN 27 CO -0.04 0.96 -0.84 -0.07 -1.65 0.00 0.00 177.43 175.79 1r3m h LEU 28 N 1.10 0.09 -0.00 1.61 3.38 -0.82 -2.92 115.31 117.75 1r3m h LEU 28 Ca 0.25 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1r3m h LEU 28 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1r3m h LEU 28 CO -0.02 0.89 -0.20 0.24 0.09 0.00 0.00 178.44 179.45 1r3m h MET 29 N 0.04 0.13 -0.10 1.13 2.86 -0.72 -0.47 114.93 117.80 1r3m h MET 29 Ca -0.02 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1r3m h MET 29 Cb 1.47 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.17 1r3m h MET 29 CO 0.12 0.89 0.02 0.52 1.06 0.00 0.00 176.91 179.52 1r3m h MET 30 N -0.57 0.14 0.10 1.72 2.86 -0.51 0.17 114.93 118.84 1r3m h MET 30 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1r3m h MET 30 Cb 0.96 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1r3m h MET 30 CO 0.04 0.14 -0.05 0.00 1.06 0.00 0.00 176.91 178.10 1r3m n ARG 33 N -5.36 0.67 -3.04 0.00 5.12 0.57 -4.87 116.66 109.76 1r3m n ARG 33 Ca -0.08 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.72 1r3m n ARG 33 Cb 0.27 -1.04 0.05 0.00 -1.16 0.00 0.00 32.46 30.59 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 -0.54 -4.57 -0.41 5.56 4.01 -0.72 -4.72 118.16 116.78 1r3m n LYS 34 Ca 0.01 0.53 0.08 0.00 -0.51 0.00 0.00 58.31 58.42 1r3m n LYS 34 Cb 0.01 -4.62 0.24 0.00 -0.51 0.00 0.00 35.03 30.14 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 -3.14 2.61 -0.00 1.97 2.81 0.14 -4.39 117.12 117.12 1r3m n MET 35 Ca -0.09 -2.83 0.03 0.00 -1.81 0.00 0.00 57.70 53.00 1r3m n MET 35 Cb 0.57 -1.79 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 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 -0.69 0.00 -1.63 2.03 -2.24 -1.19 -2.17 114.28 108.39 1r3m n THR 36 Ca 0.21 -0.28 -0.45 0.00 -2.27 0.00 0.00 64.05 61.26 1r3m n THR 36 Cb 0.86 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 1r3m n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r3m n GLN 37 N -1.34 2.23 0.00 -0.78 1.13 -1.26 -2.83 117.38 114.52 1r3m n GLN 37 Ca 0.00 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.82 1r3m n GLN 37 Cb 0.11 -2.90 0.00 0.00 0.11 0.00 0.00 30.24 27.56 1r3m n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r3m n GLY 38 N 5.04 1.36 3.55 1.08 0.00 -1.26 -4.82 105.19 110.15 1r3m n GLY 38 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1r3m n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r3m s LYS 39 N 0.00 0.75 -0.20 1.61 2.20 -1.13 -5.08 119.74 117.89 1r3m s LYS 39 Ca 0.00 0.11 -0.16 0.00 -0.36 0.00 0.00 55.97 55.56 1r3m s LYS 39 Cb 0.00 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1r3m s LYS 39 CO 0.00 -0.25 0.43 0.00 -0.36 0.00 0.00 175.35 175.17 1r3m s LYS 41 N 1.43 3.77 0.12 0.00 2.20 -0.92 -4.93 119.74 121.41 1r3m s LYS 41 Ca 0.20 1.56 -0.25 0.00 -0.36 0.00 0.00 55.97 57.13 1r3m s LYS 41 Cb -0.15 -4.03 -0.06 0.00 -1.51 0.00 0.00 37.83 32.08 1r3m s LYS 41 CO 0.08 -1.32 1.43 -1.35 -0.36 0.00 0.00 175.35 173.83 1r3m h PRO 42 N 10.70 -0.06 -4.67 4.03 0.11 -1.94 -3.42 132.00 136.74 1r3m h PRO 42 Ca -0.32 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.43 1r3m h PRO 42 Cb 1.15 0.01 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 1r3m h PRO 42 CO 1.01 -0.04 -0.77 0.08 -0.21 0.00 0.00 178.00 178.07 1r3m s VAL 43 N -5.00 0.65 -0.17 3.15 1.01 -1.26 -2.29 120.40 116.49 1r3m s VAL 43 Ca -0.10 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1r3m s VAL 43 Cb 0.08 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.92 1r3m s VAL 43 CO 0.49 0.04 0.44 0.21 0.00 0.00 0.00 175.10 176.27 1r3m s ASN 44 N -0.58 -0.51 -0.13 3.32 2.47 0.16 -5.01 114.94 114.66 1r3m s ASN 44 Ca 0.00 0.91 -0.02 0.00 0.42 0.00 0.00 52.86 54.17 1r3m s ASN 44 Cb -0.05 0.86 -0.03 0.00 -1.45 0.00 0.00 41.25 40.58 1r3m s ASN 44 CO 0.00 -0.18 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.28 1r3m s THR 45 N 0.83 3.90 -0.04 -5.21 2.01 -1.26 -0.97 115.64 114.91 1r3m s THR 45 Ca -0.05 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1r3m s THR 45 Cb -0.06 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1r3m s THR 45 CO -0.06 0.53 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.99 1r3m s PHE 46 N -0.04 2.99 -0.14 4.92 0.08 -0.40 -4.42 117.98 120.96 1r3m s PHE 46 Ca 0.01 0.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.09 1r3m s PHE 46 Cb -0.13 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1r3m s PHE 46 CO 0.03 0.39 -0.09 0.08 -0.10 0.00 0.00 175.22 175.53 1r3m s VAL 47 N -0.93 3.41 -2.09 -0.44 1.01 0.27 -0.95 120.40 120.68 1r3m s VAL 47 Ca 0.15 -0.53 0.22 0.00 0.00 0.00 0.00 61.98 61.82 1r3m s VAL 47 Cb -0.11 -2.46 0.59 0.00 0.00 0.00 0.00 36.38 34.40 1r3m s VAL 47 CO 0.05 0.51 1.50 1.41 0.00 0.00 0.00 175.10 178.57 1r3m n HIS 48 N 3.54 0.87 -2.27 5.22 -0.00 -0.39 0.07 115.22 122.26 1r3m n HIS 48 Ca -0.18 -0.43 -0.27 0.00 -0.00 0.00 0.00 57.72 56.84 1r3m n HIS 48 Cb 0.53 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.56 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 -1.13 2.72 0.73 -0.41 0.41 -1.26 -2.18 118.70 117.57 1r3m s GLU 49 Ca 0.46 -0.00 -0.14 0.00 -0.41 0.00 0.00 54.97 54.88 1r3m s GLU 49 Cb 0.24 -2.21 0.04 0.00 -1.78 0.00 0.00 34.13 30.43 1r3m s GLU 49 CO 0.32 -0.89 1.15 -1.54 -0.49 0.00 0.00 175.26 173.80 1r3m s SER 50 N -4.37 4.41 0.19 -0.19 1.04 -1.26 -4.11 113.70 109.42 1r3m s SER 50 Ca 0.56 2.12 -0.11 0.00 0.48 0.00 0.00 55.95 59.00 1r3m s SER 50 Cb -0.11 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.66 1r3m s SER 50 CO 0.46 -2.10 1.76 0.25 0.98 0.00 0.00 173.24 174.58 1r3m h LEU 51 N -0.51 0.27 -1.18 2.42 5.85 -1.97 -0.87 115.31 119.33 1r3m h LEU 51 Ca -0.46 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 1r3m h LEU 51 Cb 1.26 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1r3m h LEU 51 CO 0.50 0.17 -0.33 0.00 -0.34 0.00 0.00 178.44 178.45 1r3m h ALA 52 N 1.36 1.32 -0.36 1.25 0.00 -1.98 0.90 119.26 121.74 1r3m h ALA 52 Ca 0.27 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1r3m h ALA 52 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1r3m h ALA 52 CO -0.25 0.48 -0.38 -0.44 0.00 0.00 0.00 179.25 178.67 1r3m h ASP 53 N 0.13 0.91 -0.15 0.00 5.19 -1.60 -2.38 116.42 118.52 1r3m h ASP 53 Ca 0.02 -0.41 -0.16 0.00 -0.62 0.00 0.00 57.03 55.86 1r3m h ASP 53 Cb 0.65 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.91 1r3m h ASP 53 CO 0.05 1.18 -0.54 0.58 -3.12 0.00 0.00 179.24 177.39 1r3m h VAL 54 N 0.70 1.33 -0.44 -1.35 2.07 -0.88 -3.14 116.25 114.54 1r3m h VAL 54 Ca 0.06 -1.80 0.04 0.00 0.82 0.00 0.00 66.70 65.82 1r3m h VAL 54 Cb 0.95 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1r3m h VAL 54 CO 0.09 0.55 0.29 0.11 0.02 0.00 0.00 177.57 178.64 1r3m h LYS 55 N 0.28 0.42 0.00 1.57 1.57 -0.81 -0.97 116.57 118.63 1r3m h LYS 55 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1r3m h LYS 55 Cb 1.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1r3m h LYS 55 CO 0.11 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 1r3m n ALA 56 N -2.50 1.48 0.24 3.86 0.00 -0.90 -2.15 120.51 120.54 1r3m n ALA 56 Ca 0.05 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1r3m n ALA 56 Cb 0.19 -1.30 0.58 0.00 0.00 0.00 0.00 19.45 18.93 1r3m n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1r3m h VAL 57 N 0.00 0.55 0.00 0.00 2.07 -1.25 -2.53 116.25 115.10 1r3m h VAL 57 Ca 0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1r3m h VAL 57 Cb 0.23 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1r3m h VAL 57 CO 0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1r3m n SER 59 N -1.16 2.11 0.00 0.00 7.64 -0.95 -5.03 113.62 116.22 1r3m n SER 59 Ca 0.08 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1r3m n SER 59 Cb 0.07 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.43 3.18 -2.41 1.43 6.02 0.07 -5.03 117.38 120.22 1r3m n GLN 60 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 1r3m n GLN 60 Cb 0.28 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.52 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 4.79 4.24 -0.01 -1.09 2.20 -1.19 -4.85 119.74 123.82 1r3m s LYS 61 Ca 0.00 1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 56.99 1r3m s LYS 61 Cb 0.00 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1r3m s LYS 61 CO 0.00 -0.69 1.40 0.21 -0.36 0.00 0.00 175.35 175.91 1r3m s LYS 62 N 3.40 4.28 0.14 4.03 2.20 -1.26 -0.30 119.74 132.22 1r3m s LYS 62 Ca 0.56 1.95 0.01 0.00 -0.36 0.00 0.00 55.97 58.12 1r3m s LYS 62 Cb -0.22 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1r3m s LYS 62 CO 0.16 -0.59 0.00 0.14 -0.36 0.00 0.00 175.35 174.70 1r3m s VAL 63 N 2.53 0.50 0.02 4.02 -7.23 -0.49 -4.91 120.40 114.84 1r3m s VAL 63 Ca 0.63 -1.94 -0.22 0.00 -1.81 0.00 0.00 61.98 58.64 1r3m s VAL 63 Cb -0.31 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1r3m s VAL 63 CO 0.26 -0.59 0.66 -0.89 -0.31 0.00 0.00 175.10 174.23 1r3m s THR 64 N -3.77 4.82 0.98 5.32 2.01 -1.26 -3.12 115.64 120.63 1r3m s THR 64 Ca 0.20 1.40 -0.12 0.00 0.31 0.00 0.00 61.69 63.49 1r3m s THR 64 Cb 0.06 -4.01 0.18 0.00 0.01 0.00 0.00 72.50 68.75 1r3m s THR 64 CO 0.01 0.40 1.08 0.00 -0.69 0.00 0.00 174.62 175.42 1r3m h LYS 66 N -1.90 0.32 -0.61 0.00 1.57 -1.91 -2.30 116.57 111.74 1r3m h LYS 66 Ca -0.53 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1r3m h LYS 66 Cb 1.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1r3m h LYS 66 CO 0.54 0.60 0.00 0.27 -0.57 0.00 0.00 179.45 180.28 1r3m n ASN 67 N -4.10 1.56 0.00 0.86 0.23 -1.26 -4.87 115.26 107.67 1r3m n ASN 67 Ca -0.01 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 1r3m n ASN 67 Cb 0.41 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 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 0.38 1.91 3.77 4.83 0.00 -0.86 -5.00 105.19 110.22 1r3m n GLY 68 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 2.32 -0.55 1.61 -0.21 -1.26 -4.72 119.66 116.80 1r3m s GLN 69 Ca 0.00 1.19 0.04 0.00 0.02 0.00 0.00 55.36 56.61 1r3m s GLN 69 Cb 0.00 -1.90 0.39 0.00 1.00 0.00 0.00 33.01 32.50 1r3m s GLN 69 CO 0.00 -1.60 1.23 0.25 -2.12 0.00 0.00 175.29 173.05 1r3m n THR 70 N -3.39 2.83 -2.26 -0.19 -2.24 -1.26 -0.57 114.28 107.20 1r3m n THR 70 Ca 0.09 -5.03 0.02 0.00 -2.27 0.00 0.00 64.05 56.86 1r3m n THR 70 Cb 0.53 -1.30 0.08 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.42 1.58 -4.93 3.42 6.94 -1.26 -4.98 115.26 115.61 1r3m n ASN 71 Ca 0.40 -2.68 -0.28 0.00 -0.02 0.00 0.00 54.58 52.00 1r3m n ASN 71 Cb 0.53 -0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 37.53 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 -1.63 0.33 -0.12 0.00 2.02 0.26 -1.40 117.35 116.81 1r3m s TYR 73 Ca 0.35 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.73 1r3m s TYR 73 Cb -0.12 -0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.20 1r3m s TYR 73 CO 0.28 -0.08 -0.06 -1.14 -1.57 0.00 0.00 175.55 172.99 1r3m s GLN 74 N -0.84 3.35 0.56 -0.62 0.74 0.59 -1.20 119.66 122.23 1r3m s GLN 74 Ca -0.07 -0.54 -0.21 0.00 0.05 0.00 0.00 55.36 54.59 1r3m s GLN 74 Cb -0.06 -2.78 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1r3m s GLN 74 CO -0.00 0.38 1.33 -1.54 -0.55 0.00 0.00 175.29 174.91 1r3m s SER 75 N -0.02 5.19 0.27 6.67 1.04 0.56 -3.20 113.70 124.20 1r3m s SER 75 Ca 0.00 2.71 0.13 0.00 0.48 0.00 0.00 55.95 59.27 1r3m s SER 75 Cb -0.13 -2.63 0.28 0.00 0.10 0.00 0.00 66.02 63.63 1r3m s SER 75 CO 0.03 -1.62 1.55 0.07 0.98 0.00 0.00 173.24 174.25 1r3m h LYS 76 N 1.31 0.00 -5.87 4.02 2.10 -1.95 -3.44 116.57 112.74 1r3m h LYS 76 Ca -0.51 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.55 1r3m h LYS 76 Cb 1.30 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.53 1r3m h LYS 76 CO 0.57 0.62 -0.56 -1.12 -2.00 0.00 0.00 179.45 176.95 1r3m s SER 77 N -6.64 4.19 0.48 7.07 0.01 -1.26 -5.09 113.70 112.46 1r3m s SER 77 Ca 0.00 -1.13 -0.12 0.00 1.31 0.00 0.00 55.95 56.01 1r3m s SER 77 Cb 0.11 -0.47 -0.06 0.00 0.21 0.00 0.00 66.02 65.80 1r3m s SER 77 CO 0.75 -0.42 0.88 0.42 0.41 0.00 0.00 173.24 175.28 1r3m s THR 78 N -2.61 4.69 0.05 1.44 -4.23 -1.26 -4.39 115.64 109.34 1r3m s THR 78 Ca 0.37 0.84 0.04 0.00 -1.18 0.00 0.00 61.69 61.77 1r3m s THR 78 Cb 0.04 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 1r3m s THR 78 CO 0.20 -0.68 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.44 1r3m s MET 79 N -4.15 0.77 -0.32 3.99 -1.94 0.21 -4.83 119.30 113.05 1r3m s MET 79 Ca 0.54 -0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 53.42 1r3m s MET 79 Cb -0.10 -0.73 0.01 0.00 2.01 0.00 0.00 34.83 36.01 1r3m s MET 79 CO 0.35 0.17 1.25 1.03 -0.01 0.00 0.00 175.02 177.81 1r3m s ARG 80 N -1.44 3.92 0.27 2.03 0.52 -1.26 -0.81 118.95 122.18 1r3m s ARG 80 Ca -0.02 1.17 0.06 0.00 -0.52 0.00 0.00 55.73 56.41 1r3m s ARG 80 Cb -0.09 -3.86 -0.06 0.00 0.52 0.00 0.00 34.95 31.47 1r3m s ARG 80 CO 0.01 -1.11 -0.05 0.96 0.02 0.00 0.00 175.30 175.13 1r3m s ILE 81 N 4.28 1.58 -0.13 1.52 -4.36 -0.27 -1.26 121.20 122.56 1r3m s ILE 81 Ca 0.54 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1r3m s ILE 81 Cb -0.15 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.14 1r3m s ILE 81 CO 0.22 -0.31 -0.15 -0.89 0.24 0.00 0.00 174.94 174.06 1r3m s THR 82 N -3.05 1.55 -0.29 8.37 2.01 -0.13 -2.51 115.64 121.59 1r3m s THR 82 Ca 0.29 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1r3m s THR 82 Cb 0.04 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1r3m s THR 82 CO 0.11 0.45 0.20 -0.62 -0.69 0.00 0.00 174.62 174.08 1r3m s ASP 83 N 1.20 6.02 -0.30 3.53 2.15 0.12 -1.28 116.67 128.12 1r3m s ASP 83 Ca -0.02 -0.10 -0.08 0.00 0.43 0.00 0.00 52.55 52.78 1r3m s ASP 83 Cb -0.14 -2.12 -0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1r3m s ASP 83 CO -0.06 -0.09 0.11 0.00 -0.17 0.00 0.00 175.17 174.97 1r3m s ARG 85 N 1.56 1.15 0.92 0.00 0.52 -0.98 -0.67 118.95 121.45 1r3m s ARG 85 Ca 0.04 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.42 1r3m s ARG 85 Cb -0.17 -1.16 0.14 0.00 0.52 0.00 0.00 34.95 34.28 1r3m s ARG 85 CO 0.04 0.30 1.09 -1.21 0.02 0.00 0.00 175.30 175.55 1r3m s GLU 86 N -0.85 1.09 0.44 3.54 2.02 -0.97 0.42 118.70 124.39 1r3m s GLU 86 Ca 0.05 0.88 0.05 0.00 0.02 0.00 0.00 54.97 55.96 1r3m s GLU 86 Cb -0.07 -1.78 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 1r3m s GLU 86 CO 0.01 -2.37 0.01 0.95 0.02 0.00 0.00 175.26 173.87 1r3m s THR 87 N -2.88 1.68 0.32 3.63 -4.23 -0.98 -4.72 115.64 108.46 1r3m s THR 87 Ca 0.64 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.28 1r3m s THR 87 Cb -0.19 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 71.02 1r3m s THR 87 CO 0.58 0.00 1.75 1.23 -0.54 0.00 0.00 174.62 177.64 1r3m h GLY 88 N 1.63 0.00 -0.48 3.99 0.00 -1.98 -1.58 103.07 104.65 1r3m h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1r3m h GLY 88 CO 0.78 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.76 1r3m n SER 89 N -3.92 0.23 -4.17 0.19 7.64 -1.26 -4.62 113.62 107.71 1r3m n SER 89 Ca -0.01 -0.96 -0.26 0.00 1.01 0.00 0.00 58.87 58.64 1r3m n SER 89 Cb 0.48 -0.12 -0.16 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.04 2.18 -0.30 6.43 0.15 -0.60 -4.54 113.70 115.99 1r3m s SER 90 Ca 0.00 -0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.14 1r3m s SER 90 Cb 0.00 -0.36 0.18 0.00 -1.71 0.00 0.00 66.02 64.13 1r3m s SER 90 CO 0.00 0.21 1.12 -0.75 1.20 0.00 0.00 173.24 175.02 1r3m s LYS 91 N -0.29 0.19 0.39 5.44 2.36 -0.07 -4.85 119.74 122.92 1r3m s LYS 91 Ca 0.04 0.40 -0.24 0.00 -2.55 0.00 0.00 55.97 53.62 1r3m s LYS 91 Cb -0.09 0.16 -0.12 0.00 -1.05 0.00 0.00 37.83 36.73 1r3m s LYS 91 CO 0.00 -0.05 0.85 0.98 1.55 0.00 0.00 175.35 178.68 1r3m n TYR 92 N 4.11 0.62 0.85 4.03 9.36 -1.26 0.69 117.16 135.55 1r3m n TYR 92 Ca -0.13 0.61 0.02 0.00 3.32 0.00 0.00 57.90 61.72 1r3m n TYR 92 Cb 0.55 -2.15 0.07 0.00 -0.63 0.00 0.00 39.34 37.19 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 0.38 1.65 -3.23 2.98 -0.04 -1.26 -4.95 135.00 130.54 1r3m n PRO 93 Ca 0.10 -0.58 -0.41 0.00 -0.04 0.00 0.00 63.50 62.58 1r3m n PRO 93 Cb 0.38 -1.53 -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 0.07 5.62 -4.64 3.54 4.13 0.22 -5.03 115.26 119.16 1r3m n ASN 94 Ca 0.05 -3.27 -0.43 0.00 1.68 0.00 0.00 54.58 52.61 1r3m n ASN 94 Cb 0.36 -1.22 -0.02 0.00 -1.54 0.00 0.00 39.78 37.36 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 3.84 1.96 -0.06 0.00 0.00 -1.26 -5.00 121.76 121.24 1r3m s ALA 96 Ca 0.50 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1r3m s ALA 96 Cb -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1r3m s ALA 96 CO 0.17 0.38 -0.08 0.71 0.00 0.00 0.00 175.76 176.93 1r3m s TYR 97 N -0.11 1.11 -0.19 0.00 2.02 -1.26 -2.31 117.35 116.60 1r3m s TYR 97 Ca -0.03 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.08 1r3m s TYR 97 Cb -0.13 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1r3m s TYR 97 CO 0.03 -0.24 0.62 0.21 -1.57 0.00 0.00 175.55 174.59 1r3m s LYS 98 N 0.83 4.22 0.26 -0.62 2.20 0.17 -4.40 119.74 122.39 1r3m s LYS 98 Ca -0.12 0.60 -0.23 0.00 -0.36 0.00 0.00 55.97 55.86 1r3m s LYS 98 Cb -0.15 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 1r3m s LYS 98 CO 0.01 -0.21 0.81 0.99 -0.36 0.00 0.00 175.35 176.60 1r3m s THR 99 N 1.82 4.41 -0.15 3.43 2.01 -1.26 -2.33 115.64 123.57 1r3m s THR 99 Ca 0.28 1.53 -0.04 0.00 0.31 0.00 0.00 61.69 63.77 1r3m s THR 99 Cb -0.16 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.48 1r3m s THR 99 CO 0.10 0.21 0.24 -0.89 -0.69 0.00 0.00 174.62 173.59 1r3m s THR 100 N -1.52 -0.37 -0.12 -0.82 2.01 -0.23 -4.95 115.64 109.64 1r3m s THR 100 Ca 0.45 0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.37 1r3m s THR 100 Cb -0.18 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1r3m s THR 100 CO 0.23 0.00 0.68 -1.58 -0.69 0.00 0.00 174.62 173.26 1r3m s GLN 101 N 2.37 4.35 0.06 4.92 2.00 -1.26 0.15 119.66 132.25 1r3m s GLN 101 Ca 0.04 0.80 -0.14 0.00 -2.00 0.00 0.00 55.36 54.06 1r3m s GLN 101 Cb -0.13 -3.50 0.02 0.00 0.80 0.00 0.00 33.01 30.20 1r3m s GLN 101 CO -0.10 -0.06 0.30 0.08 -0.50 0.00 0.00 175.29 175.02 1r3m s VAL 102 N 1.25 0.09 -0.28 1.34 1.01 -1.04 -4.99 120.40 117.77 1r3m s VAL 102 Ca 0.34 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1r3m s VAL 102 Cb -0.17 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.27 1r3m s VAL 102 CO 0.15 -0.40 -0.07 -1.61 0.00 0.00 0.00 175.10 173.17 1r3m s GLU 103 N -2.82 2.26 0.08 2.72 2.02 -1.26 -1.11 118.70 120.60 1r3m s GLU 103 Ca -0.03 -1.35 -0.05 0.00 0.02 0.00 0.00 54.97 53.56 1r3m s GLU 103 Cb 0.00 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1r3m s GLU 103 CO -0.05 -0.61 0.09 0.15 0.02 0.00 0.00 175.26 174.87 1r3m s LYS 104 N 1.14 0.78 0.58 1.61 1.02 0.01 -4.78 119.74 120.10 1r3m s LYS 104 Ca -0.07 -1.14 -0.16 0.00 0.02 0.00 0.00 55.97 54.62 1r3m s LYS 104 Cb -0.20 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 1r3m s LYS 104 CO -0.04 -0.22 1.06 -1.01 -0.92 0.00 0.00 175.35 174.22 1r3m s HIS 105 N -3.92 2.98 0.20 3.18 3.76 -0.99 0.68 115.29 121.17 1r3m s HIS 105 Ca 0.09 1.52 0.11 0.00 -0.15 0.00 0.00 55.06 56.63 1r3m s HIS 105 Cb 0.06 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.68 1r3m s HIS 105 CO -0.08 -1.10 -0.23 0.96 -0.85 0.00 0.00 174.74 173.44 1r3m s ILE 106 N -2.37 2.27 -0.15 0.60 -4.36 -1.26 -0.70 121.20 115.23 1r3m s ILE 106 Ca 0.64 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1r3m s ILE 106 Cb -0.16 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.47 1r3m s ILE 106 CO 0.35 -0.18 -0.15 -0.63 0.24 0.00 0.00 174.94 174.57 1r3m s ILE 107 N -1.82 1.60 0.09 8.37 1.01 0.25 -0.33 121.20 130.37 1r3m s ILE 107 Ca 0.21 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1r3m s ILE 107 Cb -0.07 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1r3m s ILE 107 CO 0.10 0.46 -0.19 0.68 0.00 0.00 0.00 174.94 175.99 1r3m s VAL 108 N 1.42 1.58 -0.01 2.92 -7.23 -0.34 0.18 120.40 118.92 1r3m s VAL 108 Ca 0.04 -1.46 -0.20 0.00 -1.81 0.00 0.00 61.98 58.55 1r3m s VAL 108 Cb -0.13 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 1r3m s VAL 108 CO -0.10 -0.07 0.58 0.00 -0.31 0.00 0.00 175.10 175.21 1r3m s ALA 109 N -1.14 3.49 0.12 1.32 0.00 0.36 -0.57 121.76 125.34 1r3m s ALA 109 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.11 1r3m s ALA 109 Cb -0.10 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1r3m s ALA 109 CO 0.04 0.17 -0.17 0.00 0.00 0.00 0.00 175.76 175.80 1r3m s GLY 111 N -2.21 -0.23 0.00 0.00 0.00 0.32 -4.84 107.32 100.37 1r3m s GLY 111 Ca 0.19 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1r3m s GLY 111 CO 0.11 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.50 1r3m n GLY 112 N -0.53 -3.26 2.80 0.20 0.00 -1.26 -1.94 105.19 101.20 1r3m n GLY 112 Ca -0.06 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.96 0.06 0.85 1.61 1.02 -1.26 -2.83 119.74 118.22 1r3m s LYS 113 Ca 0.00 0.44 -0.12 0.00 0.02 0.00 0.00 55.97 56.31 1r3m s LYS 113 Cb 0.00 -0.58 0.11 0.00 -0.52 0.00 0.00 37.83 36.84 1r3m s LYS 113 CO 0.00 -0.40 1.19 -1.25 -0.92 0.00 0.00 175.35 173.97 1r3m s PRO 114 N 2.29 1.40 -0.43 -1.68 0.04 -1.26 -5.05 135.00 130.31 1r3m s PRO 114 Ca 0.04 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 1r3m s PRO 114 Cb -0.13 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1r3m s PRO 114 CO -0.07 -2.38 1.66 0.45 0.04 0.00 0.00 177.00 176.70 1r3m s SER 115 N -2.32 5.92 0.34 6.66 0.15 -1.13 -4.88 113.70 118.44 1r3m s SER 115 Ca 0.71 0.87 0.10 0.00 0.70 0.00 0.00 55.95 58.33 1r3m s SER 115 Cb -0.27 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.45 1r3m s SER 115 CO 0.53 -1.76 -0.08 0.68 1.20 0.00 0.00 173.24 173.81 1r3m s VAL 116 N 6.82 2.37 0.10 4.45 -7.23 -0.82 -4.78 120.40 121.32 1r3m s VAL 116 Ca 0.69 -2.17 -0.31 0.00 -1.81 0.00 0.00 61.98 58.38 1r3m s VAL 116 Cb -0.17 -2.65 -0.09 0.00 0.56 0.00 0.00 36.38 34.04 1r3m s VAL 116 CO 0.30 -0.23 1.64 -2.84 -0.31 0.00 0.00 175.10 173.66 1r3m s PRO 117 N -3.62 4.20 -0.01 4.82 0.02 -1.26 -0.52 135.00 138.63 1r3m s PRO 117 Ca 0.33 2.36 0.05 0.00 0.02 0.00 0.00 61.00 63.76 1r3m s PRO 117 Cb 0.01 -3.46 -0.08 0.00 0.02 0.00 0.00 34.50 30.99 1r3m s PRO 117 CO 0.17 -0.70 0.14 1.33 -0.33 0.00 0.00 177.00 177.61 1r3m n VAL 118 N 4.49 0.00 -3.71 3.83 0.24 0.20 -4.49 118.33 118.90 1r3m n VAL 118 Ca 0.15 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.15 1r3m n VAL 118 Cb 0.40 0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 33.16 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 -2.23 -0.36 -0.34 6.34 3.76 -1.12 -4.65 115.29 116.70 1r3m s HIS 119 Ca -0.01 0.72 -0.16 0.00 -0.15 0.00 0.00 55.06 55.46 1r3m s HIS 119 Cb 0.04 0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.89 1r3m s HIS 119 CO 0.22 -0.38 0.40 0.12 -0.85 0.00 0.00 174.74 174.26 1r3m s PHE 120 N -0.79 3.21 -0.10 1.40 2.19 -1.26 -0.48 117.98 122.14 1r3m s PHE 120 Ca -0.09 0.07 -0.12 0.00 0.33 0.00 0.00 56.93 57.12 1r3m s PHE 120 Cb -0.04 -2.72 -0.27 0.00 -1.31 0.00 0.00 43.02 38.68 1r3m s PHE 120 CO 0.04 -0.44 0.50 0.22 1.83 0.00 0.00 175.22 177.38 1r3m h ASP 121 N 8.43 0.43 0.00 6.13 3.58 -0.59 -3.48 116.42 130.93 1r3m h ASP 121 Ca -0.29 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.27 1r3m h ASP 121 Cb 1.14 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1r3m h ASP 121 CO 0.71 1.73 0.00 0.00 -2.88 0.00 0.00 179.24 178.80 1r3m n ALA 122 N -2.98 0.00 -2.80 -0.78 0.00 -0.74 -4.91 120.51 108.30 1r3m n ALA 122 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 1r3m n ALA 122 Cb 0.98 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.28 1r3m n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1r3m s SER 123 N -0.51 1.24 0.00 0.00 1.04 -1.26 0.84 113.70 115.06 1r3m s SER 123 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1r3m s SER 123 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1r3m s SER 123 CO 0.00 0.10 0.22 0.55 0.98 0.00 0.00 173.24 175.09