#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 h ALA 10 N 0.00 0.31 -2.68 4.61 0.00 -2.04 -3.43 119.26 116.03 1a90 h ALA 10 Ca 0.00 -0.38 -0.51 0.00 0.00 0.00 0.00 54.91 54.01 1a90 h ALA 10 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a90 h ALA 10 CO 0.00 0.29 0.46 -1.25 0.00 0.00 0.00 179.25 178.76 1a90 s PRO 11 N -4.24 4.62 0.11 0.00 0.04 -1.26 -4.21 135.00 130.06 1a90 s PRO 11 Ca -0.13 1.70 0.10 0.00 0.04 0.00 0.00 61.00 62.72 1a90 s PRO 11 Cb 0.07 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1a90 s PRO 11 CO 0.80 0.13 -0.26 0.08 0.04 0.00 0.00 177.00 177.79 1a90 s VAL 12 N -0.42 2.30 0.31 -0.36 1.01 -1.26 -4.97 120.40 117.02 1a90 s VAL 12 Ca 0.48 -1.65 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 1a90 s VAL 12 Cb -0.29 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 1a90 s VAL 12 CO 0.35 0.16 0.74 -2.16 0.00 0.00 0.00 175.10 174.19 1a90 s PRO 13 N -1.88 4.03 0.86 2.72 0.04 -1.26 -1.08 135.00 138.43 1a90 s PRO 13 Ca 0.14 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 1a90 s PRO 13 Cb -0.10 -2.48 0.11 0.00 0.04 0.00 0.00 34.50 32.07 1a90 s PRO 13 CO 0.05 0.18 1.09 0.54 0.04 0.00 0.00 177.00 178.91 1a90 s VAL 14 N -1.93 2.83 0.34 -0.36 0.11 -1.25 -4.82 120.40 115.32 1a90 s VAL 14 Ca 0.53 0.27 -0.17 0.00 -2.93 0.00 0.00 61.98 59.68 1a90 s VAL 14 Cb -0.11 -2.81 0.04 0.00 -1.53 0.00 0.00 36.38 31.97 1a90 s VAL 14 CO 0.18 -0.35 0.73 -1.81 -3.33 0.00 0.00 175.10 170.52 1a90 s ASP 15 N -3.52 -0.05 -0.57 3.54 1.11 -1.26 -4.85 116.67 111.07 1a90 s ASP 15 Ca 0.63 -0.96 -0.03 0.00 0.18 0.00 0.00 52.55 52.37 1a90 s ASP 15 Cb -0.17 0.79 -0.03 0.00 1.07 0.00 0.00 42.92 44.57 1a90 s ASP 15 CO 0.56 -1.52 0.51 1.21 1.18 0.00 0.00 175.17 177.11 1a90 n GLU 16 N -0.50 -1.21 -1.03 8.23 0.00 -1.26 -2.67 120.64 122.20 1a90 n GLU 16 Ca -0.06 0.56 -0.01 0.00 0.00 0.00 0.00 57.16 57.65 1a90 n GLU 16 Cb 0.60 -3.96 -0.00 0.00 0.00 0.00 0.00 31.44 28.08 1a90 n GLU 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1a90 n ASN 17 N -2.35 -5.12 -3.69 4.31 2.85 -1.26 -3.69 115.26 106.31 1a90 n ASN 17 Ca -0.03 0.02 -0.27 0.00 -0.11 0.00 0.00 54.58 54.19 1a90 n ASN 17 Cb 0.56 -2.70 0.01 0.00 1.24 0.00 0.00 39.78 38.89 1a90 n ASN 17 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1a90 n ASP 18 N -0.70 -5.13 -0.03 1.20 8.00 -1.09 -4.84 116.55 113.96 1a90 n ASP 18 Ca -0.01 -0.73 -0.21 0.00 0.71 0.00 0.00 54.79 54.55 1a90 n ASP 18 Cb 0.37 -1.83 -0.13 0.00 -0.02 0.00 0.00 41.12 39.51 1a90 n ASP 18 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1a90 h GLU 19 N 0.32 0.15 -0.13 -1.24 -0.00 -1.73 -2.20 114.58 109.75 1a90 h GLU 19 Ca -0.59 -0.26 -0.02 0.00 -0.00 0.00 0.00 59.36 58.49 1a90 h GLU 19 Cb 1.39 0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 30.23 1a90 h GLU 19 CO 0.33 1.12 0.01 0.78 -0.00 0.00 0.00 179.01 181.25 1a90 h GLY 20 N -0.28 0.24 1.68 1.06 0.00 -1.90 -1.68 103.07 102.19 1a90 h GLY 20 Ca -0.29 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1a90 h GLY 20 CO -0.02 0.16 -0.17 -2.00 0.00 0.00 0.00 176.54 174.51 1a90 h LEU 21 N -0.04 0.37 -0.50 3.11 7.12 -1.95 -2.19 115.31 121.23 1a90 h LEU 21 Ca 0.04 -0.10 -0.05 0.00 0.13 0.00 0.00 57.88 57.90 1a90 h LEU 21 Cb 0.35 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.36 1a90 h LEU 21 CO 0.01 0.56 0.11 1.56 -0.13 0.00 0.00 178.44 180.54 1a90 h GLN 22 N 0.35 0.81 0.00 1.25 1.08 -1.13 -0.67 115.11 116.80 1a90 h GLN 22 Ca 0.06 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1a90 h GLN 22 Cb 0.51 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1a90 h GLN 22 CO 0.03 0.80 -0.03 0.00 -0.95 0.00 0.00 178.83 178.68 1a90 h ARG 23 N 0.70 0.00 0.18 1.46 3.08 -0.98 -1.48 114.38 117.34 1a90 h ARG 23 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1a90 h ARG 23 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1a90 h ARG 23 CO 0.00 0.03 -0.09 0.00 -1.07 0.00 0.00 179.97 178.85 1a90 h ALA 24 N 1.97 -0.24 -0.45 0.04 0.00 -0.53 -2.20 119.26 117.85 1a90 h ALA 24 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1a90 h ALA 24 Cb 0.33 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1a90 h ALA 24 CO 0.00 -0.32 0.18 1.25 0.00 0.00 0.00 179.25 180.37 1a90 h LEU 25 N -0.89 0.58 -0.83 0.00 6.46 -1.09 -0.50 115.31 119.05 1a90 h LEU 25 Ca -0.02 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1a90 h LEU 25 Cb 0.51 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1a90 h LEU 25 CO 0.04 0.53 0.00 1.56 -0.62 0.00 0.00 178.44 179.95 1a90 h GLN 26 N 0.64 0.00 0.00 1.25 7.50 -1.30 0.17 115.11 123.37 1a90 h GLN 26 Ca 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.31 1a90 h GLN 26 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.66 1a90 h GLN 26 CO -0.02 0.00 -0.01 0.35 -1.50 0.00 0.00 178.83 177.66 1a90 h PHE 27 N 0.00 0.00 -0.12 2.96 3.04 -0.43 -2.16 116.94 120.22 1a90 h PHE 27 Ca 0.00 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1a90 h PHE 27 Cb 0.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1a90 h PHE 27 CO 0.00 0.25 -0.28 0.00 -2.02 0.00 0.00 178.31 176.26 1a90 h ALA 28 N -0.75 0.20 -0.78 2.41 0.00 -1.51 -2.71 119.26 116.12 1a90 h ALA 28 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a90 h ALA 28 Cb 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1a90 h ALA 28 CO -0.00 0.21 0.49 0.97 0.00 0.00 0.00 179.25 180.92 1a90 h ILE 29 N -0.01 1.21 -0.40 0.00 6.09 0.08 0.23 117.51 124.72 1a90 h ILE 29 Ca -0.00 -0.43 0.05 0.00 -1.37 0.00 0.00 64.86 63.11 1a90 h ILE 29 Cb 0.88 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.24 1a90 h ILE 29 CO 0.06 0.21 0.27 0.00 -3.07 0.00 0.00 178.15 175.62 1a90 h ALA 30 N 1.47 1.98 0.00 0.18 0.00 -1.26 0.13 119.26 121.77 1a90 h ALA 30 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a90 h ALA 30 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1a90 h ALA 30 CO -0.06 -0.05 -0.28 1.05 0.00 0.00 0.00 179.25 179.90 1a90 h GLU 31 N 0.30 0.00 0.04 0.00 4.11 -0.28 -2.15 114.58 116.60 1a90 h GLU 31 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.60 1a90 h GLU 31 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1a90 h GLU 31 CO -0.04 0.00 -0.02 -0.92 0.07 0.00 0.00 179.01 178.10 1a90 h TYR 32 N 0.00 -0.05 -0.01 2.06 5.03 0.68 0.40 116.97 125.08 1a90 h TYR 32 Ca 0.00 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1a90 h TYR 32 Cb 0.97 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.27 1a90 h TYR 32 CO 0.00 0.56 0.00 -2.95 -1.32 0.00 0.00 178.16 174.45 1a90 h ASN 33 N -0.72 0.02 0.57 -2.11 -1.07 -0.69 -1.12 115.58 110.46 1a90 h ASN 33 Ca -0.01 -0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.17 1a90 h ASN 33 Cb 0.63 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 1a90 h ASN 33 CO 0.01 0.20 0.00 0.54 0.07 0.00 0.00 177.43 178.25 1a90 n ARG 34 N -4.99 0.15 0.11 4.14 1.74 -0.81 -1.55 116.66 115.46 1a90 n ARG 34 Ca -0.07 0.43 -0.03 0.00 -0.77 0.00 0.00 57.85 57.41 1a90 n ARG 34 Cb 0.12 -1.82 0.15 0.00 -1.02 0.00 0.00 32.46 29.88 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a90 h ALA 35 N 2.25 0.92 0.00 7.54 0.00 0.11 -2.78 119.26 127.30 1a90 h ALA 35 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1a90 h ALA 35 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a90 h ALA 35 CO 0.00 0.74 -0.79 0.45 0.00 0.00 0.00 179.25 179.65 1a90 n SER 36 N -3.85 0.70 0.00 0.00 2.88 -0.60 -5.03 113.62 107.72 1a90 n SER 36 Ca -0.02 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1a90 n SER 36 Cb 0.61 0.38 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 1a90 n SER 36 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a90 n ASN 37 N -2.16 -0.45 -3.50 -3.46 3.02 -0.90 -4.54 115.26 103.27 1a90 n ASN 37 Ca 0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.39 1a90 n ASN 37 Cb 0.46 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.80 1a90 n ASN 37 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a90 n ASP 38 N -3.70 -3.23 -2.26 6.41 2.03 -1.26 -4.42 116.55 110.12 1a90 n ASP 38 Ca 0.00 -0.48 -0.02 0.00 0.52 0.00 0.00 54.79 54.80 1a90 n ASP 38 Cb 0.00 -0.80 0.01 0.00 -0.72 0.00 0.00 41.12 39.61 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 -2.48 -0.76 -0.97 -0.67 4.76 -1.26 -4.80 118.16 111.97 1a90 n LYS 39 Ca 0.07 0.78 0.11 0.00 -2.87 0.00 0.00 58.31 56.40 1a90 n LYS 39 Cb 0.37 -3.51 -0.04 0.00 -1.84 0.00 0.00 35.03 30.02 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 1a90 n TYR 40 N -1.68 -2.07 -3.40 2.13 0.18 -1.25 -4.97 117.16 106.09 1a90 n TYR 40 Ca -0.01 1.07 -0.04 0.00 1.88 0.00 0.00 57.90 60.80 1a90 n TYR 40 Cb 0.52 -1.88 0.01 0.00 -0.38 0.00 0.00 39.34 37.60 1a90 n TYR 40 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1a90 n SER 41 N -4.25 -0.86 -4.35 9.48 3.41 -1.09 -4.53 113.62 111.44 1a90 n SER 41 Ca -0.01 -1.67 -0.32 0.00 -0.26 0.00 0.00 58.87 56.60 1a90 n SER 41 Cb 0.60 1.45 -0.15 0.00 -0.26 0.00 0.00 64.21 65.85 1a90 n SER 41 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a90 s SER 42 N -1.84 3.66 0.01 4.04 0.01 -1.26 -1.26 113.70 117.06 1a90 s SER 42 Ca 0.07 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.97 1a90 s SER 42 Cb -0.02 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.98 1a90 s SER 42 CO 0.05 0.22 -0.03 -0.13 0.41 0.00 0.00 173.24 173.76 1a90 s ARG 43 N -0.02 0.28 0.83 12.44 0.52 -0.92 -1.94 118.95 130.14 1a90 s ARG 43 Ca -0.05 -0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 54.74 1a90 s ARG 43 Cb -0.14 -0.17 -0.06 0.00 0.52 0.00 0.00 34.95 35.09 1a90 s ARG 43 CO 0.04 0.04 -0.64 1.55 0.02 0.00 0.00 175.30 176.32 1a90 n VAL 44 N 2.58 0.00 0.00 3.52 3.14 -1.26 0.14 118.33 126.44 1a90 n VAL 44 Ca -0.16 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1a90 n VAL 44 Cb 0.58 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1a90 n VAL 44 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1a90 n VAL 45 N -3.50 0.00 -3.55 1.55 0.31 -1.26 -3.79 118.33 108.08 1a90 n VAL 45 Ca -0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1a90 n VAL 45 Cb 0.42 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.22 1a90 n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a90 s ARG 46 N -0.44 0.65 1.04 5.55 3.52 -1.26 -5.04 118.95 122.96 1a90 s ARG 46 Ca 0.00 -1.29 -0.23 0.00 -0.13 0.00 0.00 55.73 54.08 1a90 s ARG 46 Cb 0.00 -1.55 -0.08 0.00 -1.56 0.00 0.00 34.95 31.76 1a90 s ARG 46 CO 0.00 -1.14 -0.84 0.28 -0.81 0.00 0.00 175.30 172.79 1a90 n VAL 47 N 4.25 0.00 0.06 7.11 0.31 -1.26 -3.96 118.33 124.83 1a90 n VAL 47 Ca 0.07 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1a90 n VAL 47 Cb 0.38 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 -3.71 0.00 -3.75 2.52 5.41 -0.30 -4.88 119.36 114.65 1a90 n ILE 48 Ca -0.01 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1a90 n ILE 48 Cb 0.68 -0.50 -0.13 0.00 -0.71 0.00 0.00 39.64 38.98 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1a90 s SER 49 N -4.98 3.79 -0.44 4.38 0.15 -1.22 -4.94 113.70 110.44 1a90 s SER 49 Ca 0.00 -2.55 -0.11 0.00 0.70 0.00 0.00 55.95 53.99 1a90 s SER 49 Cb 0.00 -1.10 0.08 0.00 -1.71 0.00 0.00 66.02 63.29 1a90 s SER 49 CO 0.00 -0.28 0.30 0.00 1.20 0.00 0.00 173.24 174.46 1a90 s ALA 50 N 0.44 3.38 0.08 5.45 0.00 -1.26 -1.89 121.76 127.95 1a90 s ALA 50 Ca 0.17 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1a90 s ALA 50 Cb -0.24 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1a90 s ALA 50 CO -0.02 -1.67 -0.05 -1.59 0.00 0.00 0.00 175.76 172.43 1a90 s LYS 51 N 1.50 0.73 -0.51 0.00 -2.85 -0.55 -3.82 119.74 114.23 1a90 s LYS 51 Ca 0.03 -1.27 0.03 0.00 -1.00 0.00 0.00 55.97 53.76 1a90 s LYS 51 Cb -0.23 -0.01 0.15 0.00 -2.06 0.00 0.00 37.83 35.68 1a90 s LYS 51 CO 0.04 -0.06 0.33 1.03 0.10 0.00 0.00 175.35 176.79 1a90 s ARG 52 N -3.84 1.58 0.94 1.78 0.52 -0.24 -1.08 118.95 118.61 1a90 s ARG 52 Ca 0.09 -2.44 -0.15 0.00 -0.52 0.00 0.00 55.73 52.72 1a90 s ARG 52 Cb 0.06 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1a90 s ARG 52 CO -0.07 -1.24 -0.05 1.04 0.02 0.00 0.00 175.30 175.00 1a90 n GLN 53 N 2.94 -0.14 -3.74 3.54 1.13 0.19 -4.20 117.38 117.11 1a90 n GLN 53 Ca 0.16 -0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.91 1a90 n GLN 53 Cb 0.37 -1.52 -0.13 0.00 0.11 0.00 0.00 30.24 29.08 1a90 n GLN 53 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1a90 s LEU 54 N 2.49 3.07 0.00 1.08 2.96 -1.26 -1.77 118.68 125.25 1a90 s LEU 54 Ca 0.51 -2.89 0.00 0.00 -0.22 0.00 0.00 54.13 51.53 1a90 s LEU 54 Cb -0.21 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.34 1a90 s LEU 54 CO 0.73 -0.23 0.00 0.55 -1.32 0.00 0.00 176.35 176.08 1a90 n VAL 55 N 3.20 0.00 -0.53 1.68 3.14 -1.26 -4.90 118.33 119.65 1a90 n VAL 55 Ca 0.12 0.00 0.45 0.00 -2.96 0.00 0.00 64.34 61.95 1a90 n VAL 55 Cb 0.36 -0.02 0.75 0.00 -1.06 0.00 0.00 33.84 33.86 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 -5.41 6.55 4.64 -2.02 -3.39 113.55 113.93 1a90 h SER 56 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1a90 h SER 56 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1a90 h SER 56 CO 0.00 0.00 -0.47 -0.83 -0.87 0.00 0.00 176.83 174.66 1a90 s GLY 57 N -3.81 0.93 0.30 -0.77 0.00 -1.26 -5.00 107.32 97.71 1a90 s GLY 57 Ca -0.05 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 1a90 s GLY 57 CO 0.80 -1.12 0.76 -0.42 0.00 0.00 0.00 173.10 173.12 1a90 s ILE 58 N -4.06 4.60 -0.11 0.90 1.09 -0.85 -4.53 121.20 118.23 1a90 s ILE 58 Ca 0.27 1.14 0.02 0.00 -1.10 0.00 0.00 60.65 60.98 1a90 s ILE 58 Cb 0.05 -3.70 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1a90 s ILE 58 CO 0.06 -0.07 -0.19 -0.54 -0.10 0.00 0.00 174.94 174.09 1a90 s LYS 59 N -2.66 3.19 -0.57 2.79 1.02 -0.73 -1.10 119.74 121.68 1a90 s LYS 59 Ca 0.51 -0.80 -0.12 0.00 0.02 0.00 0.00 55.97 55.58 1a90 s LYS 59 Cb -0.12 -2.44 0.14 0.00 -0.52 0.00 0.00 37.83 34.89 1a90 s LYS 59 CO 0.18 0.19 0.48 0.71 -0.92 0.00 0.00 175.35 176.00 1a90 s TYR 60 N 0.35 3.42 -0.30 3.18 1.51 0.15 0.55 117.35 126.20 1a90 s TYR 60 Ca -0.16 -1.74 -0.14 0.00 -1.01 0.00 0.00 57.07 54.03 1a90 s TYR 60 Cb -0.17 -3.65 -0.03 0.00 -0.11 0.00 0.00 41.96 38.00 1a90 s TYR 60 CO 0.08 -0.99 0.32 0.42 -1.11 0.00 0.00 175.55 174.26 1a90 s ILE 61 N 1.14 5.21 0.17 2.71 -1.09 -0.25 -1.29 121.20 127.80 1a90 s ILE 61 Ca 0.08 0.23 0.11 0.00 -2.23 0.00 0.00 60.65 58.84 1a90 s ILE 61 Cb -0.24 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1a90 s ILE 61 CO -0.01 0.07 -0.25 -0.22 -1.23 0.00 0.00 174.94 173.31 1a90 s LEU 62 N 1.96 2.39 0.02 2.97 0.20 0.07 -1.48 118.68 124.81 1a90 s LEU 62 Ca 0.11 -0.82 0.01 0.00 0.69 0.00 0.00 54.13 54.12 1a90 s LEU 62 Cb -0.16 -1.16 -0.02 0.00 -0.43 0.00 0.00 46.19 44.43 1a90 s LEU 62 CO 0.11 0.13 -0.04 -1.10 -0.29 0.00 0.00 176.35 175.16 1a90 s GLN 63 N -2.46 0.31 -0.21 1.98 1.11 -0.79 -1.27 119.66 118.32 1a90 s GLN 63 Ca 0.18 -0.50 -0.27 0.00 0.01 0.00 0.00 55.36 54.78 1a90 s GLN 63 Cb -0.09 -0.04 0.11 0.00 -1.01 0.00 0.00 33.01 31.99 1a90 s GLN 63 CO 0.08 -0.01 0.93 0.14 0.01 0.00 0.00 175.29 176.45 1a90 s VAL 64 N -1.07 0.00 -1.34 1.09 -7.23 -0.87 -1.15 120.40 109.83 1a90 s VAL 64 Ca -0.10 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 1a90 s VAL 64 Cb -0.08 -1.00 0.12 0.00 0.56 0.00 0.00 36.38 35.98 1a90 s VAL 64 CO -0.00 0.00 1.98 -1.84 -0.31 0.00 0.00 175.10 174.92 1a90 n GLU 65 N 1.66 3.32 -0.10 4.82 0.28 -1.24 -1.79 120.64 127.59 1a90 n GLU 65 Ca -0.13 -3.20 -0.03 0.00 -0.16 0.00 0.00 57.16 53.64 1a90 n GLU 65 Cb 0.56 -3.08 -0.00 0.00 1.43 0.00 0.00 31.44 30.35 1a90 n GLU 65 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1a90 n ILE 66 N 4.12 0.05 -3.02 3.84 2.08 0.54 -3.67 119.36 123.30 1a90 n ILE 66 Ca 0.44 -0.04 -0.12 0.00 0.56 0.00 0.00 62.75 63.59 1a90 n ILE 66 Cb 0.38 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.31 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 0.18 1.95 3.58 7.39 0.00 0.36 -1.89 105.19 116.76 1a90 n GLY 67 Ca 0.01 -2.19 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.65 0.75 -0.35 1.61 0.52 -1.25 -2.16 118.95 114.42 1a90 s ARG 68 Ca 0.38 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 55.31 1a90 s ARG 68 Cb -0.03 0.31 0.16 0.00 0.52 0.00 0.00 34.95 35.92 1a90 s ARG 68 CO 0.24 -0.33 0.45 0.95 0.02 0.00 0.00 175.30 176.63 1a90 s THR 69 N -2.95 -0.61 0.16 0.02 -4.23 -0.39 0.16 115.64 107.81 1a90 s THR 69 Ca 0.08 -0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 59.92 1a90 s THR 69 Cb -0.01 -0.66 0.08 0.00 1.34 0.00 0.00 72.50 73.25 1a90 s THR 69 CO -0.06 -0.33 1.67 0.00 -0.54 0.00 0.00 174.62 175.36 1a90 h THR 70 N 5.49 0.62 -1.30 3.99 1.03 -0.12 -2.88 112.91 119.75 1a90 h THR 70 Ca -0.00 0.00 -0.79 0.00 -0.01 0.00 0.00 66.41 65.60 1a90 h THR 70 Cb 1.11 0.62 0.01 0.00 -1.07 0.00 0.00 68.15 68.82 1a90 h THR 70 CO 0.20 0.00 0.83 0.00 -0.01 0.00 0.00 175.52 176.55 1a90 n PRO 72 N 4.92 -0.61 0.10 0.00 -0.04 -1.26 -4.48 135.00 133.63 1a90 n PRO 72 Ca 0.29 -0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1a90 n PRO 72 Cb 0.05 -0.24 -0.03 0.00 -0.04 0.00 0.00 33.50 33.25 1a90 n PRO 72 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1a90 h LYS 73 N 0.00 0.00 0.20 0.54 -0.00 -1.96 -3.32 116.57 112.03 1a90 h LYS 73 Ca -0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 60.31 1a90 h LYS 73 Cb 0.19 0.00 0.03 0.00 -0.00 0.00 0.00 32.23 32.45 1a90 h LYS 73 CO 0.05 0.79 -1.23 0.66 -0.00 0.00 0.00 179.45 179.72 1a90 h SER 74 N 0.00 0.67 -0.22 7.07 4.64 -2.00 -3.31 113.55 120.39 1a90 h SER 74 Ca -0.01 -0.93 -0.15 0.00 -0.47 0.00 0.00 61.79 60.23 1a90 h SER 74 Cb 1.56 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 63.37 1a90 h SER 74 CO 0.10 1.59 0.14 -0.24 -0.87 0.00 0.00 176.83 177.55 1a90 n SER 75 N -3.89 5.80 0.00 4.97 2.88 -1.25 -4.61 113.62 117.52 1a90 n SER 75 Ca -0.17 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1a90 n SER 75 Cb 0.98 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1a90 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a90 n GLY 76 N 1.13 2.52 3.83 0.46 0.00 -1.25 -4.57 105.19 107.30 1a90 n GLY 76 Ca 0.16 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1a90 n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a90 n ASP 77 N 0.00 -2.30 0.00 1.61 8.00 -1.26 -4.70 116.55 117.90 1a90 n ASP 77 Ca 0.00 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1a90 n ASP 77 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 1a90 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1a90 n LEU 78 N -3.72 0.00 0.00 0.64 4.77 -1.26 -5.12 117.00 112.31 1a90 n LEU 78 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1a90 n LEU 78 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1a90 n LEU 78 CO 0.66 0.00 0.00 1.67 -1.33 0.00 0.00 177.39 178.39 1a90 n GLN 79 N -0.62 0.00 0.00 3.23 7.27 -1.26 -5.10 117.38 120.90 1a90 n GLN 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1a90 n GLN 79 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1a90 n GLN 79 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1a90 n SER 80 N 0.00 0.00 -3.04 1.69 3.41 -1.26 -5.11 113.62 109.32 1a90 n SER 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a90 n SER 80 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a90 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a90 s GLU 82 N -0.36 1.55 0.00 0.00 8.01 -1.26 -4.82 118.70 121.82 1a90 s GLU 82 Ca 0.00 -1.72 -0.00 0.00 0.01 0.00 0.00 54.97 53.26 1a90 s GLU 82 Cb 0.00 0.35 -0.00 0.00 -4.31 0.00 0.00 34.13 30.17 1a90 s GLU 82 CO 0.00 -0.58 0.07 1.19 0.01 0.00 0.00 175.26 175.95 1a90 n PHE 83 N -0.45 -0.00 -2.69 1.61 3.72 0.43 -1.42 117.46 118.66 1a90 n PHE 83 Ca 0.03 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.38 1a90 n PHE 83 Cb 0.63 -0.05 0.11 0.00 -0.94 0.00 0.00 39.48 39.24 1a90 n PHE 83 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1a90 n HIS 84 N -2.13 -1.85 -1.49 1.38 8.25 -1.26 -1.49 115.22 116.63 1a90 n HIS 84 Ca 0.00 -1.96 -0.11 0.00 -0.26 0.00 0.00 57.72 55.39 1a90 n HIS 84 Cb 0.00 1.32 -0.04 0.00 1.12 0.00 0.00 29.99 32.39 1a90 n HIS 84 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1a90 n ASP 85 N -0.81 -2.97 0.00 0.41 9.92 -1.23 -4.70 116.55 117.18 1a90 n ASP 85 Ca -0.05 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1a90 n ASP 85 Cb 0.85 -2.81 0.00 0.00 -0.64 0.00 0.00 41.12 38.52 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1a90 n GLU 86 N -1.88 0.00 0.00 -1.24 0.28 -1.26 -5.06 120.64 111.47 1a90 n GLU 86 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1a90 n GLU 86 Cb 0.39 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1a90 n GLU 86 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1a90 n PRO 87 N -0.76 2.03 -3.07 3.44 -0.04 -1.26 -0.11 135.00 135.22 1a90 n PRO 87 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1a90 n PRO 87 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1a90 n PRO 87 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a90 n GLU 88 N 0.00 -0.94 0.00 0.54 4.71 -1.26 -2.02 120.64 121.67 1a90 n GLU 88 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1a90 n GLU 88 Cb 0.00 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.78 1a90 n GLU 88 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1a90 n LEU 89 N -2.29 0.00 -2.04 -4.62 4.77 -1.26 -4.94 117.00 106.61 1a90 n LEU 89 Ca -0.07 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 1a90 n LEU 89 Cb 0.25 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1a90 n LEU 89 CO 0.37 0.00 1.33 0.00 -1.33 0.00 0.00 177.39 177.76 1a90 n ALA 90 N 0.00 5.50 -1.00 -1.18 0.00 0.84 -4.67 120.51 120.00 1a90 n ALA 90 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1a90 n ALA 90 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 0.70 1.83 -4.03 0.00 4.76 -1.26 -4.74 118.16 115.40 1a90 n LYS 91 Ca 0.34 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.65 1a90 n LYS 91 Cb 0.59 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.74 1a90 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1a90 s TYR 92 N 0.00 0.84 0.07 2.13 2.02 -1.26 -4.80 117.35 116.35 1a90 s TYR 92 Ca 0.00 -1.16 0.04 0.00 -0.37 0.00 0.00 57.07 55.58 1a90 s TYR 92 Cb 0.00 0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.62 1a90 s TYR 92 CO 0.00 -1.19 -0.11 -0.08 -1.57 0.00 0.00 175.55 172.59 1a90 s THR 93 N -3.03 0.90 -0.42 -0.71 -1.32 -0.79 -4.88 115.64 105.38 1a90 s THR 93 Ca 0.27 -1.29 -0.19 0.00 -1.21 0.00 0.00 61.69 59.26 1a90 s THR 93 Cb -0.01 -0.98 0.02 0.00 -1.51 0.00 0.00 72.50 70.02 1a90 s THR 93 CO 0.18 -0.33 0.57 -0.89 -2.21 0.00 0.00 174.62 171.93 1a90 s THR 94 N -1.52 4.92 0.18 5.08 2.01 -1.26 0.20 115.64 125.26 1a90 s THR 94 Ca -0.03 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.06 1a90 s THR 94 Cb -0.09 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1a90 s THR 94 CO 0.01 -0.51 -0.17 0.00 -0.69 0.00 0.00 174.62 173.26 1a90 s THR 96 N -2.41 1.08 -0.10 0.00 2.01 -0.64 -2.04 115.64 113.54 1a90 s THR 96 Ca 0.19 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1a90 s THR 96 Cb -0.04 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1a90 s THR 96 CO 0.07 0.30 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.83 1a90 s PHE 97 N -0.31 2.81 -0.29 4.92 0.08 -0.40 -1.80 117.98 122.99 1a90 s PHE 97 Ca 0.05 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.72 1a90 s PHE 97 Cb -0.05 -1.78 0.08 0.00 -0.57 0.00 0.00 43.02 40.69 1a90 s PHE 97 CO -0.01 -0.03 -0.02 0.08 -0.10 0.00 0.00 175.22 175.14 1a90 s VAL 98 N -0.05 2.03 -0.20 -0.44 1.01 -0.95 -0.75 120.40 121.05 1a90 s VAL 98 Ca -0.02 -1.86 -0.02 0.00 0.00 0.00 0.00 61.98 60.08 1a90 s VAL 98 Cb -0.14 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1a90 s VAL 98 CO 0.04 -0.33 -0.09 -0.69 0.00 0.00 0.00 175.10 174.03 1a90 s VAL 99 N 1.09 2.99 0.07 2.92 1.01 -0.41 -0.69 120.40 127.38 1a90 s VAL 99 Ca 0.01 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1a90 s VAL 99 Cb -0.19 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1a90 s VAL 99 CO -0.08 0.46 0.72 -0.47 0.00 0.00 0.00 175.10 175.74 1a90 s TYR 100 N 1.32 3.78 -0.23 5.22 5.04 -0.57 0.30 117.35 132.21 1a90 s TYR 100 Ca 0.04 1.45 -0.01 0.00 -2.44 0.00 0.00 57.07 56.12 1a90 s TYR 100 Cb -0.14 -2.74 0.06 0.00 0.35 0.00 0.00 41.96 39.49 1a90 s TYR 100 CO -0.05 0.38 -0.00 -1.54 -1.34 0.00 0.00 175.55 173.00 1a90 s SER 101 N -0.46 3.55 -0.54 4.32 1.04 -0.25 -1.69 113.70 119.67 1a90 s SER 101 Ca 0.36 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 55.48 1a90 s SER 101 Cb -0.21 -0.95 0.08 0.00 0.10 0.00 0.00 66.02 65.04 1a90 s SER 101 CO 0.23 -0.28 0.64 -0.63 0.98 0.00 0.00 173.24 174.17 1a90 s ILE 102 N 1.57 4.88 0.02 -1.02 1.01 -0.81 -2.01 121.20 124.84 1a90 s ILE 102 Ca -0.02 -0.72 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 1a90 s ILE 102 Cb -0.18 -4.36 -0.18 0.00 0.01 0.00 0.00 42.46 37.75 1a90 s ILE 102 CO -0.09 -0.91 1.38 1.55 0.00 0.00 0.00 174.94 176.87 1a90 h PRO 103 N 9.05 -0.15 0.00 2.79 0.13 -1.94 0.28 132.00 142.16 1a90 h PRO 103 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1a90 h PRO 103 Cb 1.09 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1a90 h PRO 103 CO 1.01 0.16 0.07 -2.67 -0.23 0.00 0.00 178.00 176.34 1a90 n TRP 104 N -5.02 0.08 -1.28 1.56 2.14 -1.26 -1.68 117.44 111.99 1a90 n TRP 104 Ca -0.09 0.04 0.01 0.00 2.07 0.00 0.00 57.50 59.54 1a90 n TRP 104 Cb 0.20 -0.50 0.01 0.00 -0.81 0.00 0.00 31.31 30.21 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 -1.53 0.47 -3.88 5.67 -0.00 -1.10 -5.02 117.00 111.61 1a90 n LEU 105 Ca -0.00 -0.93 -0.28 0.00 -0.00 0.00 0.00 56.01 54.80 1a90 n LEU 105 Cb 0.07 -0.05 -0.03 0.00 -0.00 0.00 0.00 43.42 43.42 1a90 n LEU 105 CO 0.01 0.23 -0.22 -3.20 -0.00 0.00 0.00 177.39 174.20 1a90 n ASN 106 N -0.21 -1.12 -4.00 1.96 5.15 0.86 -4.87 115.26 113.03 1a90 n ASN 106 Ca 0.02 -0.90 -0.31 0.00 -0.60 0.00 0.00 54.58 52.79 1a90 n ASN 106 Cb 0.56 -1.10 -0.15 0.00 -0.53 0.00 0.00 39.78 38.56 1a90 n ASN 106 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a90 s GLN 107 N -6.41 1.60 -0.04 1.20 -1.52 -0.49 -4.97 119.66 109.03 1a90 s GLN 107 Ca 0.18 -2.06 -0.10 0.00 -1.95 0.00 0.00 55.36 51.43 1a90 s GLN 107 Cb -0.10 -3.23 -0.05 0.00 -0.22 0.00 0.00 33.01 29.42 1a90 s GLN 107 CO 0.69 -0.98 0.27 -1.50 -0.25 0.00 0.00 175.29 173.52 1a90 s ILE 108 N 0.61 5.28 -0.11 1.08 2.07 -1.26 -1.92 121.20 126.93 1a90 s ILE 108 Ca 0.13 0.44 -0.17 0.00 -1.41 0.00 0.00 60.65 59.64 1a90 s ILE 108 Cb -0.21 -3.56 0.04 0.00 0.13 0.00 0.00 42.46 38.87 1a90 s ILE 108 CO -0.06 0.54 0.42 -0.75 -1.91 0.00 0.00 174.94 173.19 1a90 s LYS 109 N -1.22 0.60 0.78 3.50 2.20 -0.68 -5.01 119.74 119.91 1a90 s LYS 109 Ca 0.21 0.35 -0.11 0.00 -0.36 0.00 0.00 55.97 56.06 1a90 s LYS 109 Cb -0.14 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.52 1a90 s LYS 109 CO 0.10 -0.12 1.09 -1.17 -0.36 0.00 0.00 175.35 174.90 1a90 s LEU 110 N -0.33 2.67 0.00 5.43 2.96 -1.26 -1.51 118.68 126.63 1a90 s LEU 110 Ca -0.05 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1a90 s LEU 110 Cb -0.03 -3.95 0.00 0.00 0.50 0.00 0.00 46.19 42.70 1a90 s LEU 110 CO 0.02 -1.85 0.00 0.18 -1.32 0.00 0.00 176.35 173.38 1a90 n LEU 111 N -3.36 0.00 -3.72 -0.68 4.32 0.13 -4.78 117.00 108.91 1a90 n LEU 111 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.65 1a90 n LEU 111 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1a90 n LEU 111 CO 0.57 0.00 1.88 -0.62 -1.22 0.00 0.00 177.39 177.99 1a90 n GLU 112 N -0.40 4.40 -3.25 3.23 1.02 -1.16 -4.87 120.64 119.61 1a90 n GLU 112 Ca 0.00 -3.87 -0.46 0.00 -0.02 0.00 0.00 57.16 52.81 1a90 n GLU 112 Cb 0.00 -2.68 -0.03 0.00 -0.02 0.00 0.00 31.44 28.71 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1a90 s SER 113 N -0.14 6.63 0.17 1.62 1.04 -1.26 -2.24 113.70 119.52 1a90 s SER 113 Ca 0.43 -2.39 -0.23 0.00 0.48 0.00 0.00 55.95 54.24 1a90 s SER 113 Cb 0.13 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 64.07 1a90 s SER 113 CO -0.03 -0.72 0.66 -0.75 0.98 0.00 0.00 173.24 173.38 1a90 s LYS 114 N 0.91 1.36 0.11 4.02 2.20 -0.74 -5.00 119.74 122.58 1a90 s LYS 114 Ca 0.18 -0.58 0.07 0.00 -0.36 0.00 0.00 55.97 55.28 1a90 s LYS 114 Cb -0.13 0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1a90 s LYS 114 CO -0.06 -0.60 -0.11 0.00 -0.36 0.00 0.00 175.35 174.22