#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 s ALA 10 N 0.00 2.84 -1.52 4.61 0.00 -1.26 -5.04 121.76 121.39 1a90 s ALA 10 Ca 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 51.96 49.66 1a90 s ALA 10 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1a90 s ALA 10 CO 0.00 -0.18 2.63 -0.35 0.00 0.00 0.00 175.76 177.85 1a90 n PRO 11 N -0.85 3.59 0.11 0.00 -0.04 -1.26 -4.00 135.00 132.56 1a90 n PRO 11 Ca -0.04 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1a90 n PRO 11 Cb 0.67 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1a90 n PRO 11 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a90 n VAL 12 N 3.73 0.00 -2.84 0.52 0.31 -0.41 -4.01 118.33 115.62 1a90 n VAL 12 Ca 0.67 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.71 1a90 n VAL 12 Cb 0.28 -0.01 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 1a90 n VAL 12 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a90 s PRO 13 N -1.46 3.71 0.77 5.55 0.04 -1.26 0.10 135.00 142.46 1a90 s PRO 13 Ca 0.00 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.30 1a90 s PRO 13 Cb 0.00 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.18 1a90 s PRO 13 CO 0.00 -0.06 1.13 0.54 0.04 0.00 0.00 177.00 178.65 1a90 s VAL 14 N -2.44 2.87 0.16 -0.36 0.11 -1.23 -4.16 120.40 115.35 1a90 s VAL 14 Ca 0.50 0.28 -0.24 0.00 -2.93 0.00 0.00 61.98 59.59 1a90 s VAL 14 Cb -0.10 -3.22 0.06 0.00 -1.53 0.00 0.00 36.38 31.58 1a90 s VAL 14 CO 0.34 -0.37 0.80 -1.81 -3.33 0.00 0.00 175.10 170.74 1a90 s ASP 15 N -4.33 -0.32 -0.47 3.54 1.11 -1.26 -4.91 116.67 110.03 1a90 s ASP 15 Ca 0.60 -0.30 0.00 0.00 0.18 0.00 0.00 52.55 53.03 1a90 s ASP 15 Cb -0.12 0.56 0.00 0.00 1.07 0.00 0.00 42.92 44.43 1a90 s ASP 15 CO 0.51 -0.99 0.00 -0.62 1.18 0.00 0.00 175.17 175.26 1a90 n GLU 16 N -0.40 -1.77 0.00 8.23 4.71 -1.26 0.48 120.64 130.63 1a90 n GLU 16 Ca -0.08 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1a90 n GLU 16 Cb 0.61 -4.54 0.00 0.00 -1.01 0.00 0.00 31.44 26.51 1a90 n GLU 16 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1a90 n ASN 17 N -0.40 0.00 -3.44 1.62 2.85 -1.26 -4.60 115.26 110.02 1a90 n ASN 17 Ca -0.05 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.10 1a90 n ASN 17 Cb 0.32 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.37 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1a90 n ASP 18 N 0.63 -5.83 -0.39 1.20 -0.08 0.18 -4.37 116.55 107.89 1a90 n ASP 18 Ca 0.00 -0.16 0.31 0.00 -1.51 0.00 0.00 54.79 53.44 1a90 n ASP 18 Cb 0.00 -2.29 0.61 0.00 2.34 0.00 0.00 41.12 41.78 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1a90 h GLU 19 N 1.74 0.19 -0.13 -0.67 4.11 -1.87 0.81 114.58 118.76 1a90 h GLU 19 Ca -0.48 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 1a90 h GLU 19 Cb 1.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1a90 h GLU 19 CO 0.24 0.13 0.05 0.78 0.07 0.00 0.00 179.01 180.28 1a90 h GLY 20 N 0.20 0.21 0.08 1.06 0.00 -1.99 -1.69 103.07 100.94 1a90 h GLY 20 Ca 0.71 -0.11 0.18 0.00 0.00 0.00 0.00 47.33 48.10 1a90 h GLY 20 CO -0.32 0.11 0.45 -2.00 0.00 0.00 0.00 176.54 174.79 1a90 h LEU 21 N 0.05 0.51 -0.95 3.11 5.85 0.38 0.52 115.31 124.78 1a90 h LEU 21 Ca 0.04 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1a90 h LEU 21 Cb 0.18 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1a90 h LEU 21 CO -0.00 0.16 0.24 1.56 -0.34 0.00 0.00 178.44 180.06 1a90 h GLN 22 N 0.58 1.01 0.00 1.25 4.20 -0.82 0.54 115.11 121.87 1a90 h GLN 22 Ca 0.51 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1a90 h GLN 22 Cb 0.82 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1a90 h GLN 22 CO -0.42 0.84 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 1a90 h ARG 23 N 0.98 0.00 0.05 1.46 3.08 0.80 -1.44 114.38 119.30 1a90 h ARG 23 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1a90 h ARG 23 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1a90 h ARG 23 CO -0.02 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 178.86 1a90 h ALA 24 N 2.10 -0.06 -0.65 0.04 0.00 0.14 -1.97 119.26 118.86 1a90 h ALA 24 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1a90 h ALA 24 Cb 0.43 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1a90 h ALA 24 CO 0.00 -0.08 0.26 1.25 0.00 0.00 0.00 179.25 180.68 1a90 h LEU 25 N -0.97 0.86 -0.78 0.00 7.12 -1.25 -2.07 115.31 118.22 1a90 h LEU 25 Ca -0.01 -0.12 -0.08 0.00 0.13 0.00 0.00 57.88 57.81 1a90 h LEU 25 Cb 0.49 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1a90 h LEU 25 CO 0.01 0.77 -0.38 -0.61 -0.13 0.00 0.00 178.44 178.10 1a90 h GLN 26 N 0.93 0.00 0.31 1.25 4.15 -1.37 -0.05 115.11 120.34 1a90 h GLN 26 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 1a90 h GLN 26 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1a90 h GLN 26 CO -0.02 0.38 -0.15 0.35 -1.93 0.00 0.00 178.83 177.46 1a90 h PHE 27 N 0.00 -0.39 -0.03 3.99 3.04 -0.66 -0.52 116.94 122.37 1a90 h PHE 27 Ca -0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1a90 h PHE 27 Cb 0.97 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.61 1a90 h PHE 27 CO 0.00 -0.07 -0.03 0.00 -2.02 0.00 0.00 178.31 176.20 1a90 h ALA 28 N -0.66 0.04 -0.94 2.41 0.00 -1.54 -2.67 119.26 115.90 1a90 h ALA 28 Ca -0.04 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1a90 h ALA 28 Cb 0.50 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1a90 h ALA 28 CO 0.07 -0.19 0.61 0.97 0.00 0.00 0.00 179.25 180.71 1a90 h ILE 29 N -0.40 1.08 -0.80 0.00 6.09 -1.01 0.35 117.51 122.83 1a90 h ILE 29 Ca 0.00 -0.38 0.08 0.00 -1.37 0.00 0.00 64.86 63.20 1a90 h ILE 29 Cb 0.52 -0.11 -0.05 0.00 0.47 0.00 0.00 36.82 37.65 1a90 h ILE 29 CO 0.01 0.20 0.52 0.00 -3.07 0.00 0.00 178.15 175.81 1a90 h ALA 30 N 1.48 1.70 0.00 0.18 0.00 -0.98 0.25 119.26 121.90 1a90 h ALA 30 Ca 0.40 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1a90 h ALA 30 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1a90 h ALA 30 CO -0.15 0.15 -0.30 0.93 0.00 0.00 0.00 179.25 179.88 1a90 h GLU 31 N 0.79 0.00 -0.10 0.00 4.39 -0.01 -2.59 114.58 117.06 1a90 h GLU 31 Ca 0.36 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.99 1a90 h GLU 31 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1a90 h GLU 31 CO -0.13 0.30 -0.19 -0.92 -1.16 0.00 0.00 179.01 176.91 1a90 h TYR 32 N 0.00 0.37 -0.14 4.33 5.03 0.93 -1.42 116.97 126.07 1a90 h TYR 32 Ca -0.00 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.18 1a90 h TYR 32 Cb 0.95 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 1a90 h TYR 32 CO 0.00 0.80 0.09 -0.97 -1.32 0.00 0.00 178.16 176.75 1a90 h ASN 33 N -0.15 0.14 0.43 -2.11 -0.73 -1.30 0.35 115.58 112.20 1a90 h ASN 33 Ca 0.00 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1a90 h ASN 33 Cb 0.77 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.33 1a90 h ASN 33 CO 0.04 0.11 0.00 -1.14 -0.37 0.00 0.00 177.43 176.07 1a90 n ARG 34 N -5.00 0.16 0.07 6.67 0.63 -0.98 -1.57 116.66 116.64 1a90 n ARG 34 Ca -0.04 0.50 0.12 0.00 -0.92 0.00 0.00 57.85 57.51 1a90 n ARG 34 Cb 0.03 -1.88 0.22 0.00 0.45 0.00 0.00 32.46 31.29 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a90 n ALA 35 N -1.76 2.79 0.01 5.13 0.00 0.06 -4.33 120.51 122.43 1a90 n ALA 35 Ca 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1a90 n ALA 35 Cb 0.15 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1a90 n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a90 h SER 36 N 0.00 -0.06 0.00 0.00 0.87 -0.75 -3.47 113.55 110.14 1a90 h SER 36 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1a90 h SER 36 Cb 0.74 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1a90 h SER 36 CO 0.00 0.10 0.00 0.59 -0.53 0.00 0.00 176.83 176.99 1a90 n ASN 37 N -2.99 0.00 0.00 6.23 4.13 -1.25 -4.93 115.26 116.45 1a90 n ASN 37 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1a90 n ASN 37 Cb 0.03 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1a90 n ASP 38 N 0.00 0.00 0.00 6.41 2.03 -1.26 -5.06 116.55 118.67 1a90 n ASP 38 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1a90 n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1a90 n ASP 38 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1a90 n LYS 39 N 0.00 0.00 0.00 -0.67 5.02 -1.26 -5.04 118.16 116.21 1a90 n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a90 n LYS 39 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1a90 n TYR 40 N 0.00 -0.78 -3.81 2.13 0.18 -1.25 -4.73 117.16 108.89 1a90 n TYR 40 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 1a90 n TYR 40 Cb 0.00 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.82 1a90 n TYR 40 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1a90 s SER 41 N -2.21 -0.06 -0.70 9.48 1.04 -1.07 -4.80 113.70 115.38 1a90 s SER 41 Ca 0.00 0.16 -0.26 0.00 0.48 0.00 0.00 55.95 56.33 1a90 s SER 41 Cb 0.00 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 1a90 s SER 41 CO 0.00 -0.07 2.02 -0.44 0.98 0.00 0.00 173.24 175.73 1a90 s SER 42 N 0.44 4.97 0.25 7.02 0.01 -1.26 -1.47 113.70 123.66 1a90 s SER 42 Ca -0.03 0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.43 1a90 s SER 42 Cb -0.05 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1a90 s SER 42 CO -0.02 -2.71 -0.06 -0.60 0.41 0.00 0.00 173.24 170.26 1a90 s ARG 43 N 7.39 2.14 1.04 12.44 3.52 -0.48 -3.37 118.95 141.63 1a90 s ARG 43 Ca 0.75 -1.44 -0.18 0.00 -0.13 0.00 0.00 55.73 54.72 1a90 s ARG 43 Cb -0.11 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.18 1a90 s ARG 43 CO 0.14 0.37 -0.28 1.55 -0.81 0.00 0.00 175.30 176.27 1a90 n VAL 44 N -0.64 0.00 0.08 7.11 3.14 -1.26 -2.04 118.33 124.71 1a90 n VAL 44 Ca -0.07 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1a90 n VAL 44 Cb 0.58 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 1a90 n VAL 44 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1a90 n VAL 45 N -3.77 0.00 -3.73 1.55 0.24 -1.26 -4.60 118.33 106.76 1a90 n VAL 45 Ca 0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.03 1a90 n VAL 45 Cb 0.61 -0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.86 1a90 n VAL 45 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1a90 s ARG 46 N -2.00 1.76 1.03 7.34 0.52 -1.26 -5.01 118.95 121.33 1a90 s ARG 46 Ca 0.00 -2.66 -0.22 0.00 -0.52 0.00 0.00 55.73 52.33 1a90 s ARG 46 Cb 0.00 -2.66 -0.07 0.00 0.52 0.00 0.00 34.95 32.75 1a90 s ARG 46 CO 0.00 -1.27 -0.72 0.28 0.02 0.00 0.00 175.30 173.61 1a90 n VAL 47 N 2.66 0.00 0.00 3.52 0.31 -1.26 -2.62 118.33 120.94 1a90 n VAL 47 Ca 0.18 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1a90 n VAL 47 Cb 0.38 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 1a90 n VAL 47 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1a90 n ILE 48 N -3.66 0.00 -3.38 2.52 5.41 0.01 -4.73 119.36 115.53 1a90 n ILE 48 Ca -0.00 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.58 1a90 n ILE 48 Cb 0.66 -0.32 -0.09 0.00 -0.71 0.00 0.00 39.64 39.19 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1a90 s SER 49 N -3.94 1.47 -0.32 4.38 0.01 -1.21 -4.95 113.70 109.14 1a90 s SER 49 Ca 0.00 -1.07 -0.10 0.00 1.31 0.00 0.00 55.95 56.09 1a90 s SER 49 Cb 0.00 0.53 -0.00 0.00 0.21 0.00 0.00 66.02 66.76 1a90 s SER 49 CO 0.00 -0.34 0.17 0.00 0.41 0.00 0.00 173.24 173.48 1a90 s ALA 50 N 2.01 3.29 0.04 1.44 0.00 -1.26 -2.23 121.76 125.05 1a90 s ALA 50 Ca 0.12 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1a90 s ALA 50 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1a90 s ALA 50 CO -0.22 -0.96 -0.08 -1.59 0.00 0.00 0.00 175.76 172.91 1a90 s LYS 51 N 1.61 0.56 -0.16 0.00 -2.85 -0.51 -3.50 119.74 114.89 1a90 s LYS 51 Ca 0.04 -0.78 -0.02 0.00 -1.00 0.00 0.00 55.97 54.22 1a90 s LYS 51 Cb -0.17 -0.34 0.05 0.00 -2.06 0.00 0.00 37.83 35.30 1a90 s LYS 51 CO 0.07 0.06 -0.01 -0.98 0.10 0.00 0.00 175.35 174.59 1a90 s ARG 52 N -1.60 0.95 0.46 1.78 1.70 0.28 -1.21 118.95 121.31 1a90 s ARG 52 Ca -0.09 -0.37 -0.03 0.00 -0.47 0.00 0.00 55.73 54.77 1a90 s ARG 52 Cb -0.10 -1.87 -0.02 0.00 -0.57 0.00 0.00 34.95 32.39 1a90 s ARG 52 CO 0.01 -0.50 0.72 -0.65 -1.08 0.00 0.00 175.30 173.79 1a90 s GLN 53 N 1.78 3.35 -0.52 3.89 -0.21 -0.42 -1.29 119.66 126.24 1a90 s GLN 53 Ca 0.01 -0.10 0.04 0.00 0.02 0.00 0.00 55.36 55.33 1a90 s GLN 53 Cb -0.16 -2.47 0.17 0.00 1.00 0.00 0.00 33.01 31.55 1a90 s GLN 53 CO -0.07 -0.20 0.39 -0.51 -2.12 0.00 0.00 175.29 172.79 1a90 s LEU 54 N -4.63 2.73 0.00 2.90 1.02 -1.26 -1.66 118.68 117.79 1a90 s LEU 54 Ca 0.47 -3.34 0.00 0.00 0.02 0.00 0.00 54.13 51.27 1a90 s LEU 54 Cb -0.10 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.20 1a90 s LEU 54 CO 0.41 -0.14 0.00 0.55 0.02 0.00 0.00 176.35 177.19 1a90 n VAL 55 N 2.55 0.00 -0.55 -1.59 3.14 -1.26 -4.84 118.33 115.78 1a90 n VAL 55 Ca 0.25 0.00 0.46 0.00 -2.96 0.00 0.00 64.34 62.09 1a90 n VAL 55 Cb 0.42 0.00 0.76 0.00 -1.06 0.00 0.00 33.84 33.97 1a90 n VAL 55 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1a90 h SER 56 N 0.00 0.00 -5.46 6.55 4.64 -2.02 -3.40 113.55 113.86 1a90 h SER 56 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1a90 h SER 56 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 1a90 h SER 56 CO 0.00 0.00 -0.22 -0.83 -0.87 0.00 0.00 176.83 174.91 1a90 s GLY 57 N -3.83 1.23 0.45 -0.77 0.00 -1.26 -4.97 107.32 98.17 1a90 s GLY 57 Ca -0.05 -1.37 -0.11 0.00 0.00 0.00 0.00 44.72 43.19 1a90 s GLY 57 CO 0.82 -0.94 0.83 -0.42 0.00 0.00 0.00 173.10 173.39 1a90 s ILE 58 N -3.42 4.75 -0.05 0.90 1.01 -0.81 -4.42 121.20 119.16 1a90 s ILE 58 Ca 0.29 0.69 0.05 0.00 0.00 0.00 0.00 60.65 61.69 1a90 s ILE 58 Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1a90 s ILE 58 CO 0.16 -0.65 -0.21 -0.54 0.00 0.00 0.00 174.94 173.70 1a90 s LYS 59 N -4.12 2.13 -0.41 2.79 1.02 -0.66 -1.18 119.74 119.31 1a90 s LYS 59 Ca 0.52 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1a90 s LYS 59 Cb -0.10 -1.84 0.11 0.00 -0.52 0.00 0.00 37.83 35.48 1a90 s LYS 59 CO 0.35 0.32 0.15 0.71 -0.92 0.00 0.00 175.35 175.97 1a90 s TYR 60 N -0.10 3.61 0.01 3.18 2.02 0.33 -1.30 117.35 125.10 1a90 s TYR 60 Ca -0.03 -2.83 -0.18 0.00 -0.37 0.00 0.00 57.07 53.66 1a90 s TYR 60 Cb -0.12 -3.02 -0.06 0.00 -0.40 0.00 0.00 41.96 38.36 1a90 s TYR 60 CO 0.03 -0.92 0.51 0.42 -1.57 0.00 0.00 175.55 174.02 1a90 s ILE 61 N 0.74 4.92 0.03 2.71 -1.09 -0.35 -1.16 121.20 127.00 1a90 s ILE 61 Ca 0.11 1.08 0.03 0.00 -2.23 0.00 0.00 60.65 59.64 1a90 s ILE 61 Cb -0.21 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1a90 s ILE 61 CO -0.05 0.50 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.85 1a90 s LEU 62 N -0.67 2.16 -0.03 2.97 1.98 0.65 -1.42 118.68 124.32 1a90 s LEU 62 Ca 0.27 -0.39 -0.05 0.00 -2.89 0.00 0.00 54.13 51.08 1a90 s LEU 62 Cb -0.18 -0.29 0.01 0.00 0.66 0.00 0.00 46.19 46.39 1a90 s LEU 62 CO 0.16 -0.07 0.12 -1.10 -1.89 0.00 0.00 176.35 173.56 1a90 s GLN 63 N -1.04 0.22 -0.25 1.98 1.11 -0.95 -1.09 119.66 119.64 1a90 s GLN 63 Ca -0.04 0.01 -0.26 0.00 0.01 0.00 0.00 55.36 55.08 1a90 s GLN 63 Cb -0.07 0.10 0.12 0.00 -1.01 0.00 0.00 33.01 32.14 1a90 s GLN 63 CO 0.00 -0.04 0.98 0.14 0.01 0.00 0.00 175.29 176.38 1a90 s VAL 64 N -0.32 0.00 -1.36 1.09 -7.23 -0.91 -0.81 120.40 110.85 1a90 s VAL 64 Ca -0.04 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.01 1a90 s VAL 64 Cb -0.03 -1.00 0.10 0.00 0.56 0.00 0.00 36.38 36.01 1a90 s VAL 64 CO 0.00 0.00 2.01 -0.62 -0.31 0.00 0.00 175.10 176.18 1a90 n GLU 65 N 1.97 3.20 -1.15 4.82 1.02 -1.08 -2.09 120.64 127.33 1a90 n GLU 65 Ca -0.12 -3.08 -0.38 0.00 -0.02 0.00 0.00 57.16 53.55 1a90 n GLU 65 Cb 0.56 -3.16 -0.01 0.00 -0.02 0.00 0.00 31.44 28.82 1a90 n GLU 65 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a90 n ILE 66 N 4.51 0.90 -3.97 -3.67 2.08 0.44 -3.66 119.36 115.99 1a90 n ILE 66 Ca 0.46 -0.43 -0.09 0.00 0.56 0.00 0.00 62.75 63.25 1a90 n ILE 66 Cb 0.39 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.25 1a90 n ILE 66 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1a90 n GLY 67 N 1.95 2.93 3.66 7.39 0.00 -0.87 0.15 105.19 120.40 1a90 n GLY 67 Ca 0.11 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1a90 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a90 s ARG 68 N -2.57 4.16 -0.75 1.61 3.00 -1.21 -1.38 118.95 121.80 1a90 s ARG 68 Ca 0.18 0.28 -0.08 0.00 0.00 0.00 0.00 55.73 56.11 1a90 s ARG 68 Cb 0.00 -3.57 0.20 0.00 0.00 0.00 0.00 34.95 31.58 1a90 s ARG 68 CO 0.13 -0.13 0.64 0.95 0.00 0.00 0.00 175.30 176.89 1a90 s THR 69 N 1.59 4.75 0.00 0.02 -4.23 -0.54 -3.73 115.64 113.50 1a90 s THR 69 Ca 0.21 -2.79 0.00 0.00 -1.18 0.00 0.00 61.69 57.93 1a90 s THR 69 Cb -0.15 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1a90 s THR 69 CO 0.09 -0.97 0.00 1.07 -0.54 0.00 0.00 174.62 174.27 1a90 n THR 70 N 3.63 0.00 -3.62 3.99 5.66 0.43 -2.60 114.28 121.77 1a90 n THR 70 Ca 0.12 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.90 1a90 n THR 70 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1a90 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a90 n PRO 72 N -2.45 0.00 -0.07 0.00 -0.04 -1.26 -4.44 135.00 126.73 1a90 n PRO 72 Ca -0.26 0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 1a90 n PRO 72 Cb 0.57 -0.73 -0.03 0.00 -0.04 0.00 0.00 33.50 33.27 1a90 n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a90 n LYS 73 N -1.10 0.45 0.00 0.54 5.02 -1.26 -4.72 118.16 117.09 1a90 n LYS 73 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1a90 n LYS 73 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1a90 n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a90 n SER 74 N -4.26 0.00 -3.98 4.39 3.41 -1.26 -5.01 113.62 106.91 1a90 n SER 74 Ca -0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.17 1a90 n SER 74 Cb 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1a90 n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a90 n SER 75 N 0.00 -3.97 -2.80 4.04 7.64 -1.26 -2.93 113.62 114.34 1a90 n SER 75 Ca 0.00 -0.83 -0.08 0.00 1.01 0.00 0.00 58.87 58.97 1a90 n SER 75 Cb 0.00 -3.21 0.01 0.00 -1.01 0.00 0.00 64.21 59.99 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a90 n GLY 76 N -1.46 -1.34 0.00 0.23 0.00 -1.26 -5.05 105.19 96.31 1a90 n GLY 76 Ca 0.05 1.22 0.00 0.00 0.00 0.00 0.00 46.02 47.29 1a90 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a90 n ASP 77 N -0.29 0.16 0.00 1.61 -0.08 -1.15 -5.12 116.55 111.67 1a90 n ASP 77 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1a90 n ASP 77 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1a90 n ASP 77 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1a90 n LEU 78 N 0.00 0.00 -3.38 -2.67 0.00 -1.26 -5.06 117.00 104.62 1a90 n LEU 78 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.75 1a90 n LEU 78 Cb 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 43.42 43.65 1a90 n LEU 78 CO 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 177.39 176.77 1a90 s GLN 79 N -0.78 0.80 0.00 1.96 -2.07 -1.26 -5.01 119.66 113.30 1a90 s GLN 79 Ca 0.00 -1.80 0.00 0.00 -1.82 0.00 0.00 55.36 51.74 1a90 s GLN 79 Cb 0.00 -1.29 0.00 0.00 -1.09 0.00 0.00 33.01 30.63 1a90 s GLN 79 CO 0.00 -1.33 0.00 0.43 -1.32 0.00 0.00 175.29 173.07 1a90 n SER 80 N 3.23 0.00 -1.71 12.60 7.64 -1.26 -5.15 113.62 128.97 1a90 n SER 80 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1a90 n SER 80 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a90 n GLU 82 N 0.30 -2.48 0.00 0.00 2.13 -1.26 -4.97 120.64 114.36 1a90 n GLU 82 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a90 n GLU 82 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1a90 n GLU 82 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1a90 n PHE 83 N -0.03 0.00 -2.65 4.31 3.72 -1.24 0.16 117.46 121.73 1a90 n PHE 83 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1a90 n PHE 83 Cb 0.00 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.65 1a90 n PHE 83 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1a90 n HIS 84 N -0.78 -0.07 -1.37 1.38 -0.00 -1.26 -0.80 115.22 112.31 1a90 n HIS 84 Ca 0.00 -0.54 -0.09 0.00 0.46 0.00 0.00 57.72 57.56 1a90 n HIS 84 Cb 0.00 1.09 -0.03 0.00 -0.12 0.00 0.00 29.99 30.92 1a90 n HIS 84 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1a90 n ASP 85 N 0.78 -2.33 0.00 0.26 8.00 -1.26 -4.79 116.55 117.21 1a90 n ASP 85 Ca -0.05 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1a90 n ASP 85 Cb 0.75 -2.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.53 1a90 n ASP 85 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1a90 n GLU 86 N -1.68 0.00 0.03 -1.24 4.07 -1.26 -5.04 120.64 115.51 1a90 n GLU 86 Ca -0.09 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.82 1a90 n GLU 86 Cb 0.31 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.55 1a90 n GLU 86 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1a90 h PRO 87 N 0.00 0.25 -0.47 5.31 0.13 -1.99 -3.35 132.00 131.88 1a90 h PRO 87 Ca 0.00 -0.43 0.17 0.00 -0.87 0.00 0.00 66.00 64.87 1a90 h PRO 87 Cb 0.00 0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.24 1a90 h PRO 87 CO 0.00 1.11 0.30 0.39 -0.23 0.00 0.00 178.00 179.57 1a90 n GLU 88 N -3.44 -0.01 -2.69 0.86 1.02 -1.26 -2.02 120.64 113.10 1a90 n GLU 88 Ca -0.25 0.46 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1a90 n GLU 88 Cb 1.05 -0.89 0.12 0.00 -0.02 0.00 0.00 31.44 31.71 1a90 n GLU 88 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1a90 n LEU 89 N -3.43 -1.78 -1.57 -4.62 -0.00 -1.26 -4.95 117.00 99.38 1a90 n LEU 89 Ca 0.14 -3.39 -0.11 0.00 -0.00 0.00 0.00 56.01 52.66 1a90 n LEU 89 Cb 0.55 0.04 0.07 0.00 -0.00 0.00 0.00 43.42 44.08 1a90 n LEU 89 CO 0.06 1.85 0.89 0.00 -0.00 0.00 0.00 177.39 180.18 1a90 n ALA 90 N -0.88 4.01 -1.06 1.47 0.00 -0.86 -4.99 120.51 118.20 1a90 n ALA 90 Ca -0.07 -1.25 0.10 0.00 0.00 0.00 0.00 53.44 52.22 1a90 n ALA 90 Cb 0.86 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1a90 n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a90 n LYS 91 N -0.07 -1.88 -3.83 0.00 5.02 -1.26 -3.33 118.16 112.81 1a90 n LYS 91 Ca 0.25 1.48 -0.06 0.00 -2.02 0.00 0.00 58.31 57.95 1a90 n LYS 91 Cb 0.92 -2.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1a90 n LYS 91 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1a90 s TYR 92 N -3.90 0.01 -0.23 2.13 1.51 -1.26 -4.25 117.35 111.37 1a90 s TYR 92 Ca 0.00 -0.53 -0.27 0.00 -1.01 0.00 0.00 57.07 55.26 1a90 s TYR 92 Cb 0.00 0.76 0.10 0.00 -0.11 0.00 0.00 41.96 42.71 1a90 s TYR 92 CO 0.00 -1.26 0.90 -0.08 -1.11 0.00 0.00 175.55 173.99 1a90 s THR 93 N -2.75 0.00 -0.32 -0.71 -1.32 0.41 -4.87 115.64 106.08 1a90 s THR 93 Ca 0.15 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.47 1a90 s THR 93 Cb -0.04 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1a90 s THR 93 CO 0.08 0.00 0.42 -0.89 -2.21 0.00 0.00 174.62 172.02 1a90 s THR 94 N -0.13 5.12 0.11 5.08 2.01 -1.26 0.17 115.64 126.74 1a90 s THR 94 Ca -0.00 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.34 1a90 s THR 94 Cb -0.04 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1a90 s THR 94 CO -0.01 -0.06 -0.10 0.00 -0.69 0.00 0.00 174.62 173.77 1a90 s THR 96 N -2.90 1.11 -0.09 0.00 2.01 -0.50 -2.15 115.64 113.12 1a90 s THR 96 Ca 0.10 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1a90 s THR 96 Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1a90 s THR 96 CO -0.01 0.32 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.77 1a90 s PHE 97 N -0.26 2.84 -0.21 4.92 0.08 -0.25 -1.05 117.98 124.04 1a90 s PHE 97 Ca 0.04 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.82 1a90 s PHE 97 Cb -0.06 -1.76 0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1a90 s PHE 97 CO -0.00 0.08 -0.08 0.08 -0.10 0.00 0.00 175.22 175.20 1a90 s VAL 98 N -0.29 1.55 -0.08 -0.44 1.01 -0.91 -0.26 120.40 120.99 1a90 s VAL 98 Ca 0.03 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1a90 s VAL 98 Cb -0.13 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1a90 s VAL 98 CO 0.03 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.33 1a90 s VAL 99 N 1.42 1.39 -0.14 2.92 1.01 -0.31 -0.61 120.40 126.08 1a90 s VAL 99 Ca -0.03 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 1a90 s VAL 99 Cb -0.17 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1a90 s VAL 99 CO -0.07 0.41 0.57 -0.47 0.00 0.00 0.00 175.10 175.54 1a90 s TYR 100 N 0.65 3.47 -0.32 5.22 5.04 -0.68 0.12 117.35 130.85 1a90 s TYR 100 Ca -0.14 0.95 0.03 0.00 -2.44 0.00 0.00 57.07 55.47 1a90 s TYR 100 Cb -0.16 -2.68 0.09 0.00 0.35 0.00 0.00 41.96 39.56 1a90 s TYR 100 CO 0.04 0.02 0.04 -1.54 -1.34 0.00 0.00 175.55 172.77 1a90 s SER 101 N 0.89 4.56 -0.48 4.32 1.04 -0.32 -1.18 113.70 122.52 1a90 s SER 101 Ca 0.29 -1.93 -0.29 0.00 0.48 0.00 0.00 55.95 54.49 1a90 s SER 101 Cb -0.16 -1.47 0.03 0.00 0.10 0.00 0.00 66.02 64.52 1a90 s SER 101 CO 0.12 -0.36 1.17 -0.63 0.98 0.00 0.00 173.24 174.52 1a90 s ILE 102 N 1.07 4.16 0.01 -1.02 1.01 -0.76 -1.92 121.20 123.75 1a90 s ILE 102 Ca 0.08 1.17 -0.25 0.00 0.00 0.00 0.00 60.65 61.65 1a90 s ILE 102 Cb -0.19 -4.57 -0.17 0.00 0.01 0.00 0.00 42.46 37.54 1a90 s ILE 102 CO -0.10 -1.01 1.27 1.55 0.00 0.00 0.00 174.94 176.64 1a90 h PRO 103 N 9.42 -0.32 0.00 2.79 0.13 -1.93 0.53 132.00 142.61 1a90 h PRO 103 Ca -0.24 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1a90 h PRO 103 Cb 1.06 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1a90 h PRO 103 CO 1.13 0.00 0.11 -2.67 -0.23 0.00 0.00 178.00 176.34 1a90 n TRP 104 N -5.09 0.22 -0.98 1.56 2.14 -1.26 -1.58 117.44 112.45 1a90 n TRP 104 Ca -0.09 0.11 0.00 0.00 2.07 0.00 0.00 57.50 59.60 1a90 n TRP 104 Cb 0.25 -0.59 0.01 0.00 -0.81 0.00 0.00 31.31 30.16 1a90 n TRP 104 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1a90 n LEU 105 N -1.68 0.48 -3.84 5.67 -0.00 -1.15 -5.02 117.00 111.47 1a90 n LEU 105 Ca -0.00 -0.67 -0.26 0.00 -0.00 0.00 0.00 56.01 55.08 1a90 n LEU 105 Cb 0.12 -0.02 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 1a90 n LEU 105 CO 0.03 0.16 -0.23 -3.20 -0.00 0.00 0.00 177.39 174.15 1a90 n ASN 106 N -0.16 -0.82 -4.07 1.96 2.85 0.17 -4.87 115.26 110.33 1a90 n ASN 106 Ca 0.01 -0.87 -0.33 0.00 -0.11 0.00 0.00 54.58 53.28 1a90 n ASN 106 Cb 0.49 -1.07 -0.14 0.00 1.24 0.00 0.00 39.78 40.30 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1a90 s GLN 107 N -6.28 1.89 0.20 1.20 2.00 -0.54 -4.94 119.66 113.19 1a90 s GLN 107 Ca 0.14 -1.66 -0.08 0.00 -2.00 0.00 0.00 55.36 51.76 1a90 s GLN 107 Cb -0.08 -3.21 -0.07 0.00 0.80 0.00 0.00 33.01 30.45 1a90 s GLN 107 CO 0.67 -0.84 0.49 0.42 -0.50 0.00 0.00 175.29 175.53 1a90 s ILE 108 N 1.04 5.01 -0.12 -2.34 1.01 -1.26 -1.83 121.20 122.70 1a90 s ILE 108 Ca 0.04 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.95 1a90 s ILE 108 Cb -0.20 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.70 1a90 s ILE 108 CO -0.06 -0.04 0.29 -0.75 0.00 0.00 0.00 174.94 174.38 1a90 s LYS 109 N -2.79 0.24 0.79 2.79 2.20 -0.32 -4.98 119.74 117.67 1a90 s LYS 109 Ca 0.45 0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 56.58 1a90 s LYS 109 Cb -0.11 -0.08 0.07 0.00 -1.51 0.00 0.00 37.83 36.19 1a90 s LYS 109 CO 0.22 -0.18 1.10 -1.17 -0.36 0.00 0.00 175.35 174.96 1a90 s LEU 110 N 1.45 3.00 0.00 5.43 2.96 -1.26 -1.69 118.68 128.57 1a90 s LEU 110 Ca -0.08 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 1a90 s LEU 110 Cb -0.10 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.07 1a90 s LEU 110 CO -0.10 -2.18 0.00 0.18 -1.32 0.00 0.00 176.35 172.94 1a90 n LEU 111 N -3.62 0.00 -4.03 -0.68 4.32 0.22 -4.81 117.00 108.40 1a90 n LEU 111 Ca 0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.65 1a90 n LEU 111 Cb 0.53 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.34 1a90 n LEU 111 CO 0.53 0.00 1.25 1.21 -1.22 0.00 0.00 177.39 179.16 1a90 n GLU 112 N -0.21 4.19 -3.23 3.23 2.13 -1.11 -4.86 120.64 120.77 1a90 n GLU 112 Ca 0.00 -4.34 -0.45 0.00 0.66 0.00 0.00 57.16 53.02 1a90 n GLU 112 Cb 0.00 -2.61 -0.01 0.00 0.27 0.00 0.00 31.44 29.09 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a90 s SER 113 N -0.81 7.01 -0.17 4.31 1.04 -1.25 -2.13 113.70 121.69 1a90 s SER 113 Ca 0.33 -3.00 -0.03 0.00 0.48 0.00 0.00 55.95 53.73 1a90 s SER 113 Cb 0.04 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 1a90 s SER 113 CO 0.06 -0.54 -0.07 -0.75 0.98 0.00 0.00 173.24 172.92 1a90 s LYS 114 N 0.10 3.47 -0.16 4.02 2.20 -0.22 -4.93 119.74 124.23 1a90 s LYS 114 Ca 0.28 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1a90 s LYS 114 Cb -0.08 -2.87 -0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1a90 s LYS 114 CO -0.07 0.05 -0.15 0.00 -0.36 0.00 0.00 175.35 174.82