#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a90 n ALA 10 N 0.00 0.00 -2.02 4.61 0.00 -1.26 -5.13 120.51 116.71 1a90 n ALA 10 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1a90 n ALA 10 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1a90 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a90 s PRO 11 N 0.00 4.61 0.05 0.00 0.04 -1.26 -4.42 135.00 134.02 1a90 s PRO 11 Ca 0.00 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1a90 s PRO 11 Cb 0.00 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1a90 s PRO 11 CO 0.00 0.11 -0.12 0.08 0.04 0.00 0.00 177.00 177.11 1a90 s VAL 12 N -0.37 3.26 0.54 -0.36 1.01 -1.13 -4.97 120.40 118.37 1a90 s VAL 12 Ca 0.48 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1a90 s VAL 12 Cb -0.29 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 1a90 s VAL 12 CO 0.35 0.29 0.96 -2.16 0.00 0.00 0.00 175.10 174.54 1a90 s PRO 13 N -1.65 3.75 1.01 2.72 0.04 -1.26 -1.36 135.00 138.25 1a90 s PRO 13 Ca 0.17 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 1a90 s PRO 13 Cb -0.11 -2.17 0.20 0.00 0.04 0.00 0.00 34.50 32.46 1a90 s PRO 13 CO 0.08 -0.35 1.09 0.54 0.04 0.00 0.00 177.00 178.40 1a90 s VAL 14 N -2.82 2.20 0.52 -0.36 0.11 -1.24 -4.83 120.40 113.98 1a90 s VAL 14 Ca 0.55 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.75 1a90 s VAL 14 Cb -0.10 -2.20 0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1a90 s VAL 14 CO 0.41 -0.08 0.58 -1.81 -3.33 0.00 0.00 175.10 170.87 1a90 s ASP 15 N -2.77 5.02 0.46 3.54 1.01 -1.26 -4.94 116.67 117.73 1a90 s ASP 15 Ca 0.67 -0.89 0.19 0.00 0.71 0.00 0.00 52.55 53.22 1a90 s ASP 15 Cb -0.23 0.07 1.04 0.00 1.01 0.00 0.00 42.92 44.81 1a90 s ASP 15 CO 0.60 -1.08 1.52 -0.33 0.21 0.00 0.00 175.17 176.09 1a90 h GLU 16 N 0.55 0.00 0.00 8.23 5.08 -2.06 -3.36 114.58 123.01 1a90 h GLU 16 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1a90 h GLU 16 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1a90 h GLU 16 CO 0.49 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.77 1a90 n ASN 17 N -2.37 0.00 -2.62 1.42 0.23 -1.26 -5.11 115.26 105.55 1a90 n ASN 17 Ca -0.01 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.02 1a90 n ASN 17 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1a90 n ASN 17 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1a90 n ASP 18 N -0.98 -7.43 0.17 0.53 -0.08 -1.26 -4.53 116.55 102.98 1a90 n ASP 18 Ca 0.00 1.15 0.11 0.00 -1.51 0.00 0.00 54.79 54.54 1a90 n ASP 18 Cb 0.00 -4.93 0.63 0.00 2.34 0.00 0.00 41.12 39.16 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 2.58 0.05 -0.32 -0.67 -0.00 -1.99 -1.59 114.58 112.64 1a90 h GLU 19 Ca 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 1a90 h GLU 19 Cb 0.16 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.89 1a90 h GLU 19 CO 0.11 0.04 0.02 0.78 -0.00 0.00 0.00 179.01 179.95 1a90 h GLY 20 N 0.06 0.60 1.57 1.06 0.00 -1.99 -1.93 103.07 102.43 1a90 h GLY 20 Ca 0.08 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1a90 h GLY 20 CO -0.01 0.39 -0.12 -2.00 0.00 0.00 0.00 176.54 174.81 1a90 h LEU 21 N 0.37 0.50 -0.15 3.11 5.85 -1.60 -1.65 115.31 121.74 1a90 h LEU 21 Ca 0.09 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1a90 h LEU 21 Cb 0.41 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1a90 h LEU 21 CO 0.01 0.66 0.03 1.56 -0.34 0.00 0.00 178.44 180.36 1a90 h GLN 22 N 0.48 0.24 0.00 1.25 4.20 -1.14 -1.06 115.11 119.08 1a90 h GLN 22 Ca 0.09 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1a90 h GLN 22 Cb 0.49 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1a90 h GLN 22 CO 0.03 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.59 1a90 h ARG 23 N 0.04 0.00 0.04 1.46 2.47 -1.13 -1.87 114.38 115.39 1a90 h ARG 23 Ca 0.05 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1a90 h ARG 23 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1a90 h ARG 23 CO 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 179.97 180.51 1a90 h ALA 24 N 2.01 -0.05 -0.81 0.04 0.00 -0.26 -2.20 119.26 117.99 1a90 h ALA 24 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1a90 h ALA 24 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1a90 h ALA 24 CO 0.00 -0.17 0.44 1.25 0.00 0.00 0.00 179.25 180.77 1a90 h LEU 25 N -0.77 1.02 -1.42 0.00 5.85 -0.86 -1.85 115.31 117.28 1a90 h LEU 25 Ca -0.01 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1a90 h LEU 25 Cb 0.66 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1a90 h LEU 25 CO 0.01 0.83 -0.29 -0.61 -0.34 0.00 0.00 178.44 178.04 1a90 h GLN 26 N 1.13 0.00 0.32 1.25 5.75 -1.41 0.55 115.11 122.70 1a90 h GLN 26 Ca 0.29 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1a90 h GLN 26 Cb 0.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1a90 h GLN 26 CO -0.05 0.29 -0.15 0.35 -2.65 0.00 0.00 178.83 176.62 1a90 h PHE 27 N 0.00 -0.39 0.26 3.99 3.04 -0.68 -2.24 116.94 120.91 1a90 h PHE 27 Ca -0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1a90 h PHE 27 Cb 0.54 0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1a90 h PHE 27 CO 0.00 -0.07 -0.13 0.00 -2.02 0.00 0.00 178.31 176.09 1a90 h ALA 28 N -0.64 -0.35 -0.72 2.41 0.00 -1.42 -2.57 119.26 115.96 1a90 h ALA 28 Ca -0.04 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.83 1a90 h ALA 28 Cb 0.50 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 1a90 h ALA 28 CO 0.07 -0.45 -0.01 0.97 0.00 0.00 0.00 179.25 179.82 1a90 h ILE 29 N -0.85 0.37 -0.70 0.00 6.09 0.12 1.39 117.51 123.93 1a90 h ILE 29 Ca -0.04 -0.03 0.15 0.00 -1.37 0.00 0.00 64.86 63.57 1a90 h ILE 29 Cb 0.51 0.27 -0.11 0.00 0.47 0.00 0.00 36.82 37.96 1a90 h ILE 29 CO 0.06 0.02 0.13 0.00 -3.07 0.00 0.00 178.15 175.28 1a90 h ALA 30 N 1.67 0.85 -0.85 0.18 0.00 -1.37 0.76 119.26 120.51 1a90 h ALA 30 Ca 0.38 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.50 1a90 h ALA 30 Cb 0.66 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1a90 h ALA 30 CO -0.64 -0.36 0.56 0.93 0.00 0.00 0.00 179.25 179.74 1a90 h GLU 31 N 0.22 1.04 -0.34 0.00 4.39 0.22 -1.84 114.58 118.28 1a90 h GLU 31 Ca 0.39 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.08 1a90 h GLU 31 Cb 0.66 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1a90 h GLU 31 CO -0.52 0.69 0.04 -0.92 -1.16 0.00 0.00 179.01 177.14 1a90 h TYR 32 N 1.08 0.05 0.30 4.33 3.20 0.25 0.48 116.97 126.66 1a90 h TYR 32 Ca 0.33 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 1a90 h TYR 32 Cb -0.01 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1a90 h TYR 32 CO -0.00 -0.02 -0.25 -0.97 -1.64 0.00 0.00 178.16 175.28 1a90 h ASN 33 N 0.14 -0.65 0.15 -2.11 -1.24 -0.69 0.12 115.58 111.31 1a90 h ASN 33 Ca 0.17 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1a90 h ASN 33 Cb 0.21 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1a90 h ASN 33 CO -0.25 -0.37 0.00 -1.14 -1.29 0.00 0.00 177.43 174.38 1a90 n ARG 34 N -5.37 0.15 0.07 6.67 0.63 -0.84 -0.99 116.66 116.97 1a90 n ARG 34 Ca -0.09 0.59 -0.08 0.00 -0.92 0.00 0.00 57.85 57.35 1a90 n ARG 34 Cb 0.28 -1.93 0.05 0.00 0.45 0.00 0.00 32.46 31.30 1a90 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a90 h ALA 35 N 2.05 0.65 0.00 5.13 0.00 0.27 -3.07 119.26 124.29 1a90 h ALA 35 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 1a90 h ALA 35 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1a90 h ALA 35 CO 0.00 0.78 -1.07 0.66 0.00 0.00 0.00 179.25 179.63 1a90 h SER 36 N 0.21 0.00 0.00 0.00 4.64 -0.61 -3.47 113.55 114.32 1a90 h SER 36 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1a90 h SER 36 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1a90 h SER 36 CO 0.12 0.51 0.00 0.59 -0.87 0.00 0.00 176.83 177.18 1a90 n ASN 37 N -2.99 -2.18 -0.14 4.97 3.02 -0.71 -4.80 115.26 112.42 1a90 n ASN 37 Ca -0.05 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.61 1a90 n ASN 37 Cb 0.78 -1.77 0.58 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.26 0.42 0.00 6.41 2.03 -1.26 -4.85 116.55 119.03 1a90 n ASP 38 Ca 0.00 -1.41 0.00 0.00 0.52 0.00 0.00 54.79 53.90 1a90 n ASP 38 Cb 0.13 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.55 -0.90 -3.42 -0.67 4.01 -1.26 -4.72 118.16 110.65 1a90 n LYS 39 Ca 0.16 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 58.19 1a90 n LYS 39 Cb 0.14 -4.27 0.00 0.00 -0.51 0.00 0.00 35.03 30.39 1a90 n LYS 39 CO 0.00 0.00 0.00 2.48 -1.11 0.00 0.00 177.40 178.77 1a90 n TYR 40 N -2.16 0.00 -1.11 2.13 0.18 -1.26 -4.37 117.16 110.56 1a90 n TYR 40 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 1a90 n TYR 40 Cb 0.23 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.17 1a90 n TYR 40 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1a90 n SER 41 N 0.44 -3.56 -3.52 9.48 2.88 -0.28 -4.84 113.62 114.22 1a90 n SER 41 Ca 0.00 0.09 -0.29 0.00 -1.33 0.00 0.00 58.87 57.34 1a90 n SER 41 Cb 0.00 -1.39 -0.13 0.00 -0.75 0.00 0.00 64.21 61.94 1a90 n SER 41 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1a90 s SER 42 N -2.80 3.24 0.00 -3.46 1.04 -1.26 -2.28 113.70 108.17 1a90 s SER 42 Ca 0.00 -2.00 0.00 0.00 0.48 0.00 0.00 55.95 54.43 1a90 s SER 42 Cb 0.00 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1a90 s SER 42 CO 0.00 -0.34 0.00 0.54 0.98 0.00 0.00 173.24 174.42 1a90 n ARG 43 N 4.31 3.87 -2.72 4.02 5.12 -0.48 -4.70 116.66 126.08 1a90 n ARG 43 Ca 0.07 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.74 1a90 n ARG 43 Cb 0.38 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.70 1a90 n ARG 43 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1a90 s VAL 44 N 1.21 3.78 0.00 1.55 1.01 -1.26 -1.47 120.40 125.23 1a90 s VAL 44 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1a90 s VAL 44 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1a90 s VAL 44 CO 0.00 -0.37 0.00 0.52 0.00 0.00 0.00 175.10 175.25 1a90 n VAL 45 N -2.30 0.00 -3.45 2.92 0.31 -0.99 -4.29 118.33 110.53 1a90 n VAL 45 Ca 0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.08 1a90 n VAL 45 Cb 0.58 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.39 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 -0.10 0.64 1.03 5.55 3.52 -1.26 -4.98 118.95 123.35 1a90 s ARG 46 Ca 0.00 -1.53 -0.16 0.00 -0.13 0.00 0.00 55.73 53.91 1a90 s ARG 46 Cb 0.00 -1.34 0.07 0.00 -1.56 0.00 0.00 34.95 32.12 1a90 s ARG 46 CO 0.00 -1.26 0.20 0.28 -0.81 0.00 0.00 175.30 173.72 1a90 n VAL 47 N 3.73 0.00 0.00 7.11 0.31 -1.26 -4.37 118.33 123.85 1a90 n VAL 47 Ca 0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1a90 n VAL 47 Cb 0.40 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 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 -3.96 0.00 0.00 2.52 -0.00 -1.26 -4.90 119.36 111.75 1a90 n ILE 48 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 1a90 n ILE 48 Cb 0.58 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 1a90 n ILE 48 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1a90 n SER 49 N -2.34 0.00 -3.99 4.38 2.88 -1.26 -5.00 113.62 108.30 1a90 n SER 49 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1a90 n SER 49 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 1a90 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a90 s ALA 50 N -2.00 0.14 0.14 -1.46 0.00 -1.26 -0.62 121.76 116.70 1a90 s ALA 50 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1a90 s ALA 50 Cb 0.00 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1a90 s ALA 50 CO 0.00 -0.24 0.42 0.15 0.00 0.00 0.00 175.76 176.10 1a90 s LYS 51 N -2.19 1.14 -0.26 0.00 1.02 -0.35 -3.66 119.74 115.44 1a90 s LYS 51 Ca -0.09 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1a90 s LYS 51 Cb -0.04 0.48 0.08 0.00 -0.52 0.00 0.00 37.83 37.82 1a90 s LYS 51 CO -0.03 -0.45 0.01 -0.98 -0.92 0.00 0.00 175.35 172.98 1a90 s ARG 52 N -3.82 1.19 0.80 1.68 1.70 -0.46 -0.87 118.95 119.16 1a90 s ARG 52 Ca 0.05 -1.02 -0.11 0.00 -0.47 0.00 0.00 55.73 54.18 1a90 s ARG 52 Cb 0.01 -2.42 0.07 0.00 -0.57 0.00 0.00 34.95 32.04 1a90 s ARG 52 CO -0.10 -0.75 1.09 -0.65 -1.08 0.00 0.00 175.30 173.81 1a90 s GLN 53 N 1.48 2.07 -0.42 3.89 -1.52 0.32 -2.86 119.66 122.62 1a90 s GLN 53 Ca 0.01 0.96 0.02 0.00 -1.95 0.00 0.00 55.36 54.40 1a90 s GLN 53 Cb -0.18 -1.89 0.13 0.00 -0.22 0.00 0.00 33.01 30.85 1a90 s GLN 53 CO -0.12 -1.72 0.22 -0.51 -0.25 0.00 0.00 175.29 172.91 1a90 s LEU 54 N -5.92 2.71 0.00 2.90 1.02 -1.26 -1.85 118.68 116.27 1a90 s LEU 54 Ca 0.61 -2.49 0.00 0.00 0.02 0.00 0.00 54.13 52.27 1a90 s LEU 54 Cb -0.16 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 45.01 1a90 s LEU 54 CO 0.56 -0.29 0.00 0.55 0.02 0.00 0.00 176.35 177.19 1a90 n VAL 55 N 3.72 0.00 -0.45 -1.59 3.14 -1.26 -4.91 118.33 116.98 1a90 n VAL 55 Ca 0.07 0.00 0.41 0.00 -2.96 0.00 0.00 64.34 61.86 1a90 n VAL 55 Cb 0.35 0.00 0.72 0.00 -1.06 0.00 0.00 33.84 33.85 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 -5.55 6.55 4.64 -2.02 -3.39 113.55 113.77 1a90 h SER 56 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1a90 h SER 56 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1a90 h SER 56 CO 0.00 0.00 -0.59 -0.83 -0.87 0.00 0.00 176.83 174.54 1a90 s GLY 57 N -3.79 1.33 0.17 -0.77 0.00 -1.26 -5.00 107.32 97.99 1a90 s GLY 57 Ca -0.04 -1.62 -0.25 0.00 0.00 0.00 0.00 44.72 42.81 1a90 s GLY 57 CO 0.75 -1.34 0.77 -0.42 0.00 0.00 0.00 173.10 172.86 1a90 s ILE 58 N -4.14 4.38 -0.05 0.90 1.01 -0.89 -4.56 121.20 117.86 1a90 s ILE 58 Ca 0.36 1.68 -0.01 0.00 0.00 0.00 0.00 60.65 62.68 1a90 s ILE 58 Cb 0.07 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1a90 s ILE 58 CO 0.11 0.51 0.04 -0.54 0.00 0.00 0.00 174.94 175.06 1a90 s LYS 59 N -1.18 3.01 -0.49 2.79 1.02 -0.77 -1.50 119.74 122.63 1a90 s LYS 59 Ca 0.36 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.92 1a90 s LYS 59 Cb -0.23 -2.83 0.13 0.00 -0.52 0.00 0.00 37.83 34.38 1a90 s LYS 59 CO 0.26 0.68 0.24 0.71 -0.92 0.00 0.00 175.35 176.31 1a90 s TYR 60 N -1.04 3.41 0.10 3.18 1.51 0.27 -0.52 117.35 124.26 1a90 s TYR 60 Ca 0.18 -2.97 -0.29 0.00 -1.01 0.00 0.00 57.07 52.98 1a90 s TYR 60 Cb -0.12 -2.96 -0.06 0.00 -0.11 0.00 0.00 41.96 38.71 1a90 s TYR 60 CO 0.08 -0.83 0.90 0.42 -1.11 0.00 0.00 175.55 175.01 1a90 s ILE 61 N 0.18 4.54 -0.01 2.71 -1.09 -0.05 -1.17 121.20 126.32 1a90 s ILE 61 Ca 0.15 1.95 0.01 0.00 -2.23 0.00 0.00 60.65 60.53 1a90 s ILE 61 Cb -0.23 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 1a90 s ILE 61 CO -0.03 0.34 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.76 1a90 s LEU 62 N -0.08 1.89 0.11 2.97 1.98 0.12 -1.21 118.68 124.47 1a90 s LEU 62 Ca 0.44 -0.08 0.09 0.00 -2.89 0.00 0.00 54.13 51.69 1a90 s LEU 62 Cb -0.23 -0.23 -0.04 0.00 0.66 0.00 0.00 46.19 46.35 1a90 s LEU 62 CO 0.28 0.03 -0.17 -1.10 -1.89 0.00 0.00 176.35 173.50 1a90 s GLN 63 N 0.05 1.83 0.28 1.98 -1.52 0.20 -1.07 119.66 121.42 1a90 s GLN 63 Ca -0.00 -1.15 -0.07 0.00 -1.95 0.00 0.00 55.36 52.19 1a90 s GLN 63 Cb -0.03 -2.14 -0.01 0.00 -0.22 0.00 0.00 33.01 30.61 1a90 s GLN 63 CO -0.00 0.49 0.42 0.14 -0.25 0.00 0.00 175.29 176.09 1a90 s VAL 64 N -1.14 0.00 -0.14 1.09 -7.23 0.11 -4.18 120.40 108.91 1a90 s VAL 64 Ca 0.18 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1a90 s VAL 64 Cb -0.11 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.43 1a90 s VAL 64 CO 0.10 0.00 -0.15 -1.83 -0.31 0.00 0.00 175.10 172.91 1a90 s GLU 65 N -3.66 2.36 -0.05 4.82 -1.05 -1.26 -2.00 118.70 117.85 1a90 s GLU 65 Ca 0.28 -0.59 -0.02 0.00 -0.15 0.00 0.00 54.97 54.49 1a90 s GLU 65 Cb 0.01 -2.10 0.03 0.00 -0.44 0.00 0.00 34.13 31.63 1a90 s GLU 65 CO 0.14 -0.19 0.11 0.42 0.95 0.00 0.00 175.26 176.69 1a90 s ILE 66 N 1.34 -0.05 0.00 1.83 1.01 -0.62 -2.35 121.20 122.36 1a90 s ILE 66 Ca 0.02 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1a90 s ILE 66 Cb -0.13 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1a90 s ILE 66 CO -0.09 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1a90 n GLY 67 N 4.12 5.49 3.88 6.18 0.00 -0.54 -0.90 105.19 123.42 1a90 n GLY 67 Ca -0.26 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 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 1.70 2.24 -0.38 1.61 1.81 -1.25 -1.38 118.95 123.31 1a90 s ARG 68 Ca 0.00 -2.11 -0.04 0.00 -1.72 0.00 0.00 55.73 51.87 1a90 s ARG 68 Cb 0.00 -1.98 0.21 0.00 -0.45 0.00 0.00 34.95 32.73 1a90 s ARG 68 CO 0.00 -0.58 1.03 -2.37 -0.68 0.00 0.00 175.30 172.70 1a90 n THR 69 N -1.67 0.00 0.00 0.02 5.66 -0.97 -3.46 114.28 113.86 1a90 n THR 69 Ca -0.05 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1a90 n THR 69 Cb 0.65 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 70.14 1a90 n THR 69 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1a90 n THR 70 N 2.60 0.00 -0.98 1.09 5.66 0.90 -1.72 114.28 121.83 1a90 n THR 70 Ca 0.12 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.77 1a90 n THR 70 Cb 0.63 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.45 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 2.37 0.00 0.03 0.00 -0.04 -1.26 -3.73 135.00 132.38 1a90 n PRO 72 Ca -0.01 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1a90 n PRO 72 Cb 0.54 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 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 -1.20 0.00 0.00 0.54 5.02 -1.26 -4.85 118.16 116.40 1a90 n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a90 n LYS 73 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a90 n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1a90 n SER 74 N -2.65 0.00 0.00 4.39 2.88 -1.26 -4.63 113.62 112.35 1a90 n SER 74 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a90 n SER 74 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1a90 n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1a90 n SER 75 N 4.24 0.00 -2.67 -3.46 2.88 -1.26 -5.05 113.62 108.29 1a90 n SER 75 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1a90 n SER 75 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.00 -0.20 0.00 0.46 0.00 -1.26 -5.09 105.19 99.09 1a90 n GLY 76 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.37 0.00 0.00 1.61 8.00 -1.26 -4.92 116.55 119.62 1a90 n ASP 77 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1a90 n ASP 77 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 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 0.00 0.00 -4.81 0.64 4.32 -1.26 -5.04 117.00 110.85 1a90 n LEU 78 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 1a90 n LEU 78 Cb 0.00 -0.14 0.02 0.00 -1.62 0.00 0.00 43.42 41.68 1a90 n LEU 78 CO 0.00 -0.42 0.71 -1.58 -1.22 0.00 0.00 177.39 174.88 1a90 s GLN 79 N -0.84 3.20 -0.67 3.23 -0.44 -1.26 -4.95 119.66 117.92 1a90 s GLN 79 Ca 0.00 1.13 -0.02 0.00 -2.50 0.00 0.00 55.36 53.97 1a90 s GLN 79 Cb 0.00 -2.02 0.44 0.00 -1.64 0.00 0.00 33.01 29.79 1a90 s GLN 79 CO 0.00 -0.90 2.04 -1.13 0.50 0.00 0.00 175.29 175.80 1a90 n SER 80 N -2.37 7.67 -1.15 6.67 3.41 -1.26 -4.90 113.62 121.69 1a90 n SER 80 Ca 0.08 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 1a90 n SER 80 Cb 0.53 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 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 -4.72 0.70 0.00 0.00 8.01 -1.26 -4.97 118.70 116.46 1a90 s GLU 82 Ca 0.00 -0.39 0.00 0.00 0.01 0.00 0.00 54.97 54.59 1a90 s GLU 82 Cb 0.00 -0.67 0.00 0.00 -4.31 0.00 0.00 34.13 29.15 1a90 s GLU 82 CO 0.00 0.18 0.83 1.19 0.01 0.00 0.00 175.26 177.47 1a90 n PHE 83 N 2.66 0.00 -2.71 1.61 3.01 -1.22 -0.07 117.46 120.74 1a90 n PHE 83 Ca -0.15 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.24 1a90 n PHE 83 Cb 0.57 -0.35 0.11 0.00 -0.01 0.00 0.00 39.48 39.79 1a90 n PHE 83 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1a90 n HIS 84 N -2.43 -2.39 -0.92 1.38 -0.00 -1.26 -1.61 115.22 107.99 1a90 n HIS 84 Ca 0.00 -2.00 -0.01 0.00 0.46 0.00 0.00 57.72 56.17 1a90 n HIS 84 Cb 0.00 1.52 -0.00 0.00 -0.12 0.00 0.00 29.99 31.39 1a90 n HIS 84 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1a90 n ASP 85 N -0.42 -5.38 0.00 0.26 2.03 -1.26 -4.80 116.55 106.98 1a90 n ASP 85 Ca -0.01 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1a90 n ASP 85 Cb 0.82 -3.25 0.00 0.00 -0.72 0.00 0.00 41.12 37.98 1a90 n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1a90 n GLU 86 N 0.78 0.00 0.09 -0.67 0.28 -1.26 -4.99 120.64 114.87 1a90 n GLU 86 Ca -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1a90 n GLU 86 Cb 0.46 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.29 1a90 n GLU 86 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1a90 h PRO 87 N 0.00 0.00 0.00 3.44 0.13 -1.91 -3.27 132.00 130.39 1a90 h PRO 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a90 h PRO 87 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a90 h PRO 87 CO 0.00 0.82 0.07 0.39 -0.23 0.00 0.00 178.00 179.05 1a90 n GLU 88 N -3.37 0.00 -2.37 0.86 4.71 -1.26 -1.97 120.64 117.23 1a90 n GLU 88 Ca 0.00 0.43 -0.00 0.00 -0.01 0.00 0.00 57.16 57.58 1a90 n GLU 88 Cb 0.84 -1.57 0.05 0.00 -1.01 0.00 0.00 31.44 29.75 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 -1.43 0.50 -3.11 -4.62 4.32 -1.23 -4.95 117.00 106.48 1a90 n LEU 89 Ca 0.00 -2.78 -0.18 0.00 -0.02 0.00 0.00 56.01 53.03 1a90 n LEU 89 Cb 0.07 0.25 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1a90 n LEU 89 CO 0.00 1.14 -0.16 0.00 -1.22 0.00 0.00 177.39 177.15 1a90 n ALA 90 N -0.56 1.59 -1.00 -1.18 0.00 -0.83 -4.68 120.51 113.84 1a90 n ALA 90 Ca -0.02 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1a90 n ALA 90 Cb 0.88 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 0.72 -0.88 -4.08 0.00 4.01 -1.26 -4.79 118.16 111.88 1a90 n LYS 91 Ca 0.21 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.87 1a90 n LYS 91 Cb 0.62 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.09 1a90 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1a90 s TYR 92 N -0.69 0.93 0.08 2.13 2.02 -1.26 -4.39 117.35 116.17 1a90 s TYR 92 Ca 0.00 -1.19 -0.22 0.00 -0.37 0.00 0.00 57.07 55.29 1a90 s TYR 92 Cb 0.00 -0.07 0.06 0.00 -0.40 0.00 0.00 41.96 41.55 1a90 s TYR 92 CO 0.00 -1.06 0.53 -0.08 -1.57 0.00 0.00 175.55 173.37 1a90 s THR 93 N -3.34 0.03 -0.20 -0.71 -1.32 -0.08 -4.97 115.64 105.04 1a90 s THR 93 Ca 0.30 -0.21 -0.05 0.00 -1.21 0.00 0.00 61.69 60.51 1a90 s THR 93 Cb 0.00 -1.02 -0.02 0.00 -1.51 0.00 0.00 72.50 69.95 1a90 s THR 93 CO 0.17 -0.12 0.00 -0.89 -2.21 0.00 0.00 174.62 171.58 1a90 s THR 94 N -2.94 4.00 0.40 5.08 2.01 -1.26 -1.59 115.64 121.33 1a90 s THR 94 Ca -0.03 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.75 1a90 s THR 94 Cb -0.00 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1a90 s THR 94 CO -0.06 0.43 0.15 0.00 -0.69 0.00 0.00 174.62 174.45 1a90 s THR 96 N -2.59 0.85 -0.12 0.00 2.01 -0.60 0.05 115.64 115.25 1a90 s THR 96 Ca 0.40 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 1a90 s THR 96 Cb 0.03 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1a90 s THR 96 CO 0.22 0.31 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.98 1a90 s PHE 97 N 1.05 2.84 -0.34 4.92 0.08 -0.23 -1.69 117.98 124.61 1a90 s PHE 97 Ca -0.08 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.51 1a90 s PHE 97 Cb -0.14 -1.82 0.10 0.00 -0.57 0.00 0.00 43.02 40.59 1a90 s PHE 97 CO -0.01 -0.09 0.08 0.08 -0.10 0.00 0.00 175.22 175.18 1a90 s VAL 98 N 0.13 1.77 0.45 -0.44 1.01 -0.92 0.15 120.40 122.54 1a90 s VAL 98 Ca -0.05 -2.04 0.08 0.00 0.00 0.00 0.00 61.98 59.97 1a90 s VAL 98 Cb -0.15 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1a90 s VAL 98 CO 0.04 -0.64 0.60 -0.69 0.00 0.00 0.00 175.10 174.41 1a90 s VAL 99 N 1.11 2.79 -0.12 2.92 1.01 -0.32 -1.48 120.40 126.31 1a90 s VAL 99 Ca 0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1a90 s VAL 99 Cb -0.19 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.43 1a90 s VAL 99 CO -0.14 0.00 0.14 -0.47 0.00 0.00 0.00 175.10 174.63 1a90 s TYR 100 N -2.43 -0.07 -0.19 5.22 5.04 -0.56 0.94 117.35 125.31 1a90 s TYR 100 Ca 0.56 0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 55.45 1a90 s TYR 100 Cb -0.09 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.81 1a90 s TYR 100 CO 0.34 -0.37 -0.12 0.45 -1.34 0.00 0.00 175.55 174.51 1a90 s SER 101 N 2.24 3.82 -0.48 4.32 0.15 -0.56 -1.86 113.70 121.33 1a90 s SER 101 Ca 0.04 -0.48 -0.17 0.00 0.70 0.00 0.00 55.95 56.04 1a90 s SER 101 Cb -0.14 -1.62 0.06 0.00 -1.71 0.00 0.00 66.02 62.62 1a90 s SER 101 CO -0.07 0.02 0.50 -0.63 1.20 0.00 0.00 173.24 174.26 1a90 s ILE 102 N 1.22 5.07 0.02 6.45 1.01 -0.70 -2.09 121.20 132.18 1a90 s ILE 102 Ca 0.02 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.65 1a90 s ILE 102 Cb -0.14 -4.20 -0.17 0.00 0.01 0.00 0.00 42.46 37.96 1a90 s ILE 102 CO -0.05 -0.67 1.36 1.55 0.00 0.00 0.00 174.94 177.12 1a90 h PRO 103 N 8.86 -0.37 0.00 2.79 0.13 -1.95 0.70 132.00 142.16 1a90 h PRO 103 Ca -0.28 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1a90 h PRO 103 Cb 1.10 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a90 h PRO 103 CO 0.91 -0.08 0.13 -2.67 -0.23 0.00 0.00 178.00 176.06 1a90 n TRP 104 N -5.15 0.26 -1.06 1.56 2.14 -1.26 -1.68 117.44 112.25 1a90 n TRP 104 Ca -0.10 0.13 0.00 0.00 2.07 0.00 0.00 57.50 59.61 1a90 n TRP 104 Cb 0.24 -0.61 0.01 0.00 -0.81 0.00 0.00 31.31 30.14 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 -1.73 0.39 -3.95 5.67 -0.00 -1.10 -5.02 117.00 111.27 1a90 n LEU 105 Ca -0.01 -0.62 -0.30 0.00 -0.00 0.00 0.00 56.01 55.08 1a90 n LEU 105 Cb 0.14 -0.02 -0.03 0.00 -0.00 0.00 0.00 43.42 43.52 1a90 n LEU 105 CO 0.03 0.15 -0.24 -3.20 -0.00 0.00 0.00 177.39 174.13 1a90 n ASN 106 N -0.14 -1.26 -4.09 1.96 2.85 0.23 -4.88 115.26 109.95 1a90 n ASN 106 Ca 0.01 -0.98 -0.33 0.00 -0.11 0.00 0.00 54.58 53.16 1a90 n ASN 106 Cb 0.51 -1.20 -0.14 0.00 1.24 0.00 0.00 39.78 40.19 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 -6.63 1.97 -0.14 1.20 -0.44 -0.57 -4.94 119.66 110.12 1a90 s GLN 107 Ca 0.20 -1.61 -0.08 0.00 -2.50 0.00 0.00 55.36 51.37 1a90 s GLN 107 Cb -0.11 -3.20 -0.04 0.00 -1.64 0.00 0.00 33.01 28.01 1a90 s GLN 107 CO 0.75 -0.81 0.14 -1.50 0.50 0.00 0.00 175.29 174.37 1a90 s ILE 108 N 1.07 5.47 -0.01 -2.34 2.07 -1.26 -1.72 121.20 124.48 1a90 s ILE 108 Ca 0.02 0.21 -0.04 0.00 -1.41 0.00 0.00 60.65 59.43 1a90 s ILE 108 Cb -0.20 -3.42 0.00 0.00 0.13 0.00 0.00 42.46 38.96 1a90 s ILE 108 CO -0.05 0.56 0.08 -0.75 -1.91 0.00 0.00 174.94 172.88 1a90 s LYS 109 N -0.61 0.28 0.66 3.50 2.20 -0.77 -5.00 119.74 120.00 1a90 s LYS 109 Ca 0.13 -0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 55.47 1a90 s LYS 109 Cb -0.12 0.12 0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1a90 s LYS 109 CO 0.02 -0.06 0.96 -1.17 -0.36 0.00 0.00 175.35 174.75 1a90 s LEU 110 N -0.76 2.98 0.00 5.43 2.96 -1.26 -1.49 118.68 126.54 1a90 s LEU 110 Ca -0.08 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1a90 s LEU 110 Cb -0.05 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.39 1a90 s LEU 110 CO 0.00 -1.39 0.00 0.18 -1.32 0.00 0.00 176.35 173.82 1a90 n LEU 111 N -2.78 0.00 -3.61 -0.68 4.32 -0.55 -4.86 117.00 108.84 1a90 n LEU 111 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.65 1a90 n LEU 111 Cb 0.59 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1a90 n LEU 111 CO 0.52 0.00 2.22 1.21 -1.22 0.00 0.00 177.39 180.12 1a90 n GLU 112 N -0.37 4.33 -3.31 3.23 0.00 -1.11 -4.86 120.64 118.54 1a90 n GLU 112 Ca 0.00 -3.54 -0.47 0.00 0.00 0.00 0.00 57.16 53.16 1a90 n GLU 112 Cb 0.00 -2.71 -0.02 0.00 0.00 0.00 0.00 31.44 28.71 1a90 n GLU 112 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1a90 s SER 113 N 0.41 6.72 0.14 4.31 1.04 -1.25 -2.16 113.70 122.90 1a90 s SER 113 Ca 0.49 -2.59 -0.16 0.00 0.48 0.00 0.00 55.95 54.16 1a90 s SER 113 Cb 0.16 -2.22 0.03 0.00 0.10 0.00 0.00 66.02 64.09 1a90 s SER 113 CO -0.06 -0.62 0.43 -0.75 0.98 0.00 0.00 173.24 173.22 1a90 s LYS 114 N 0.38 1.13 0.01 4.02 2.20 -0.68 -5.00 119.74 121.81 1a90 s LYS 114 Ca 0.17 -0.74 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 1a90 s LYS 114 Cb -0.11 0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1a90 s LYS 114 CO -0.08 -0.45 -0.23 0.00 -0.36 0.00 0.00 175.35 174.23