#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d89 s SER 2 N 0.00 5.90 -0.14 1.61 0.01 -1.26 -4.94 113.70 114.88 2d89 s SER 2 Ca 0.00 -1.47 -0.10 0.00 1.31 0.00 0.00 55.95 55.69 2d89 s SER 2 Cb 0.00 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 2d89 s SER 2 CO 0.00 -0.62 -0.09 0.28 0.41 0.00 0.00 173.24 173.23 2d89 h SER 3 N 8.59 0.00 0.00 2.44 0.02 -2.11 -3.47 113.55 119.02 2d89 h SER 3 Ca -0.26 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 2d89 h SER 3 Cb 1.10 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.57 2d89 h SER 3 CO 0.84 0.80 -0.05 0.61 -1.14 0.00 0.00 176.83 177.89 2d89 n GLY 4 N 1.62 -0.03 3.03 -3.77 0.00 -1.26 -5.07 105.19 99.71 2d89 n GLY 4 Ca -0.09 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2d89 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d89 s SER 5 N -0.40 5.43 -0.01 1.61 1.04 -1.26 -5.06 113.70 115.05 2d89 s SER 5 Ca 0.04 -3.60 0.02 0.00 0.48 0.00 0.00 55.95 52.90 2d89 s SER 5 Cb 0.15 -1.80 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 2d89 s SER 5 CO -0.04 -0.18 -0.04 -0.44 0.98 0.00 0.00 173.24 173.52 2d89 s SER 6 N -0.43 4.83 0.23 7.02 0.01 -1.26 -5.09 113.70 119.01 2d89 s SER 6 Ca 0.24 -0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.28 2d89 s SER 6 Cb -0.09 -1.19 0.01 0.00 0.21 0.00 0.00 66.02 64.95 2d89 s SER 6 CO -0.12 0.29 0.53 -0.83 0.41 0.00 0.00 173.24 173.53 2d89 s GLY 7 N -1.38 0.22 0.90 3.44 0.00 -1.26 -5.09 107.32 104.15 2d89 s GLY 7 Ca 0.17 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 2d89 s GLY 7 CO 0.08 -0.42 1.09 2.56 0.00 0.00 0.00 173.10 176.41 2d89 s PRO 8 N -3.95 1.19 -1.14 2.90 0.04 -1.26 -4.06 135.00 128.72 2d89 s PRO 8 Ca 0.16 0.80 -0.06 0.00 0.04 0.00 0.00 61.00 61.94 2d89 s PRO 8 Cb -0.02 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2d89 s PRO 8 CO 0.05 -2.28 0.99 0.09 0.04 0.00 0.00 177.00 175.89 2d89 n ASN 9 N -3.91 -4.73 -3.70 6.66 5.03 -1.26 -5.01 115.26 108.33 2d89 n ASN 9 Ca 0.07 -0.49 -0.16 0.00 0.87 0.00 0.00 54.58 54.87 2d89 n ASN 9 Cb 0.55 -4.47 -0.16 0.00 -1.02 0.00 0.00 39.78 34.68 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2d89 s ALA 10 N -3.29 -0.08 0.17 5.41 0.00 -1.26 -5.04 121.76 117.67 2d89 s ALA 10 Ca 0.36 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 2d89 s ALA 10 Cb -0.16 -0.60 0.12 0.00 0.00 0.00 0.00 23.12 22.47 2d89 s ALA 10 CO 0.63 -0.38 1.70 0.66 0.00 0.00 0.00 175.76 178.37 2d89 h SER 11 N 7.93 -0.17 0.07 0.00 4.64 -1.95 -0.80 113.55 123.27 2d89 h SER 11 Ca -0.26 0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2d89 h SER 11 Cb 1.12 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2d89 h SER 11 CO 0.27 -0.05 -0.19 -0.61 -0.87 0.00 0.00 176.83 175.38 2d89 h GLN 12 N 0.11 -0.33 -0.44 4.77 -0.00 -1.96 0.18 115.11 117.43 2d89 h GLN 12 Ca 0.20 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.96 2d89 h GLN 12 Cb 0.29 0.08 -0.07 0.00 0.00 0.00 0.00 27.48 27.78 2d89 h GLN 12 CO -0.34 -0.22 0.02 0.77 0.00 0.00 0.00 178.83 179.06 2d89 h SER 13 N -0.34 -0.14 0.86 -0.69 0.02 -1.71 0.17 113.55 111.72 2d89 h SER 13 Ca 0.04 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2d89 h SER 13 Cb 0.38 0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.09 2d89 h SER 13 CO -0.13 -0.03 -0.41 0.25 -1.14 0.00 0.00 176.83 175.36 2d89 h LEU 14 N 0.14 -0.98 -0.95 5.07 5.85 -0.80 0.28 115.31 123.91 2d89 h LEU 14 Ca 0.22 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.18 2d89 h LEU 14 Cb 0.31 0.25 -0.12 0.00 0.37 0.00 0.00 40.66 41.48 2d89 h LEU 14 CO -0.35 -0.64 0.52 0.25 -0.34 0.00 0.00 178.44 177.88 2d89 h LEU 15 N -1.27 0.58 -0.11 2.25 5.85 -0.44 -0.85 115.31 121.32 2d89 h LEU 15 Ca -0.12 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2d89 h LEU 15 Cb 0.89 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 2d89 h LEU 15 CO 0.19 0.12 -0.14 0.58 -0.34 0.00 0.00 178.44 178.86 2d89 h VAL 16 N 0.57 1.37 -1.00 1.05 2.07 -0.51 -3.01 116.25 116.78 2d89 h VAL 16 Ca 0.58 -1.34 0.18 0.00 0.82 0.00 0.00 66.70 66.94 2d89 h VAL 16 Cb 1.03 1.99 -0.18 0.00 -1.52 0.00 0.00 31.29 32.62 2d89 h VAL 16 CO -0.46 0.39 -0.32 -0.25 0.02 0.00 0.00 177.57 176.95 2d89 h TRP 17 N -0.12 -0.81 0.45 1.57 7.01 0.10 0.18 115.95 124.33 2d89 h TRP 17 Ca 0.01 0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 2d89 h TRP 17 Cb 0.68 0.51 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 2d89 h TRP 17 CO 0.09 -0.42 -0.22 0.00 -2.79 0.00 0.00 178.44 175.11 2d89 h LYS 19 N -0.73 0.00 0.01 0.00 1.57 -1.20 0.65 116.57 116.87 2d89 h LYS 19 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2d89 h LYS 19 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2d89 h LYS 19 CO 0.10 0.00 -0.01 1.49 -0.57 0.00 0.00 179.45 180.47 2d89 h GLU 20 N 0.00 -0.01 0.00 3.15 4.81 -0.40 0.30 114.58 122.43 2d89 h GLU 20 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2d89 h GLU 20 Cb 2.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.71 2d89 h GLU 20 CO -0.00 0.63 0.00 1.33 -0.73 0.00 0.00 179.01 180.23 2d89 n VAL 21 N -4.78 0.32 -1.33 0.32 0.24 0.19 -3.28 118.33 110.01 2d89 n VAL 21 Ca -0.09 -0.11 0.08 0.00 -2.04 0.00 0.00 64.34 62.18 2d89 n VAL 21 Cb 0.32 -0.57 0.14 0.00 -1.47 0.00 0.00 33.84 32.27 2d89 n VAL 21 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2d89 n THR 22 N -1.86 1.76 -0.04 3.34 -2.24 0.68 -4.82 114.28 111.10 2d89 n THR 22 Ca 0.06 -2.31 -0.10 0.00 -2.27 0.00 0.00 64.05 59.44 2d89 n THR 22 Cb 0.37 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 2d89 n THR 22 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2d89 h LYS 23 N 0.30 -0.32 -2.39 -0.78 1.57 -0.37 -3.17 116.57 111.40 2d89 h LYS 23 Ca -0.01 0.02 -0.66 0.00 -1.87 0.00 0.00 60.65 58.13 2d89 h LYS 23 Cb 1.06 0.07 -0.38 0.00 0.08 0.00 0.00 32.23 33.07 2d89 h LYS 23 CO 0.00 -0.22 -0.15 0.09 -0.57 0.00 0.00 179.45 178.60 2d89 n ASN 24 N -4.45 4.74 -4.66 0.86 5.03 -1.26 -4.97 115.26 110.55 2d89 n ASN 24 Ca -0.03 -3.48 -0.25 0.00 0.87 0.00 0.00 54.58 51.69 2d89 n ASN 24 Cb 0.24 -0.84 -0.08 0.00 -1.02 0.00 0.00 39.78 38.08 2d89 n ASN 24 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2d89 s TYR 25 N -2.79 2.57 -0.46 3.10 1.51 -1.20 -5.04 117.35 115.05 2d89 s TYR 25 Ca 0.39 -0.49 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 2d89 s TYR 25 Cb 0.14 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 40.26 2d89 s TYR 25 CO -0.00 0.40 2.36 -2.13 -1.11 0.00 0.00 175.55 175.07 2d89 n ARG 26 N -1.03 1.14 -3.02 -0.62 3.00 -1.26 -3.64 116.66 111.22 2d89 n ARG 26 Ca -0.03 0.18 -0.25 0.00 -0.00 0.00 0.00 57.85 57.75 2d89 n ARG 26 Cb 0.63 -2.96 0.02 0.00 0.00 0.00 0.00 32.46 30.16 2d89 n ARG 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2d89 n GLY 27 N 6.13 0.12 2.56 5.14 0.00 -1.26 -4.95 105.19 112.94 2d89 n GLY 27 Ca 0.40 0.73 -0.29 0.00 0.00 0.00 0.00 46.02 46.86 2d89 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d89 s VAL 28 N -1.12 0.82 -0.43 1.61 1.01 -1.24 -4.97 120.40 116.09 2d89 s VAL 28 Ca 0.24 -2.45 -0.07 0.00 0.00 0.00 0.00 61.98 59.71 2d89 s VAL 28 Cb -0.02 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.88 2d89 s VAL 28 CO 0.55 -1.03 0.26 -0.75 0.00 0.00 0.00 175.10 174.13 2d89 s LYS 29 N 0.36 2.34 -1.36 2.72 2.47 -1.26 -4.90 119.74 120.10 2d89 s LYS 29 Ca 0.22 -1.70 -0.11 0.00 -1.56 0.00 0.00 55.97 52.83 2d89 s LYS 29 Cb -0.15 -3.74 0.11 0.00 -1.46 0.00 0.00 37.83 32.59 2d89 s LYS 29 CO -0.06 -1.07 2.04 -0.89 0.16 0.00 0.00 175.35 175.52 2d89 n ILE 30 N 4.79 3.95 0.13 5.43 -0.00 -1.26 -4.64 119.36 127.76 2d89 n ILE 30 Ca -0.07 -3.77 0.01 0.00 -0.00 0.00 0.00 62.75 58.92 2d89 n ILE 30 Cb 0.42 -2.47 0.05 0.00 -0.00 0.00 0.00 39.64 37.64 2d89 n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2d89 h THR 31 N 3.84 1.00 -4.36 1.39 1.03 -1.95 -3.47 112.91 110.39 2d89 h THR 31 Ca 0.48 -2.30 -0.37 0.00 -0.01 0.00 0.00 66.41 64.21 2d89 h THR 31 Cb 0.63 2.41 -0.09 0.00 -1.07 0.00 0.00 68.15 70.03 2d89 h THR 31 CO 1.75 0.55 -0.30 0.59 -0.01 0.00 0.00 175.52 178.10 2d89 n ASN 32 N -3.29 -1.00 -1.05 0.00 3.02 -1.26 -5.06 115.26 106.61 2d89 n ASN 32 Ca 0.01 -2.98 -0.02 0.00 -0.03 0.00 0.00 54.58 51.56 2d89 n ASN 32 Cb 0.73 2.04 0.20 0.00 -0.61 0.00 0.00 39.78 42.15 2d89 n ASN 32 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2d89 n PHE 33 N -0.59 0.86 0.00 3.10 3.72 -1.26 -4.36 117.46 118.93 2d89 n PHE 33 Ca 0.04 -1.58 0.00 0.00 -0.05 0.00 0.00 57.45 55.86 2d89 n PHE 33 Cb 0.58 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2d89 n PHE 33 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2d89 n THR 34 N -1.12 0.00 -0.07 4.37 -2.24 -1.26 -4.53 114.28 109.43 2d89 n THR 34 Ca 0.30 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2d89 n THR 34 Cb 0.96 -0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 2d89 n THR 34 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2d89 h THR 35 N 0.00 1.30 -0.29 4.28 1.35 -1.94 0.68 112.91 118.28 2d89 h THR 35 Ca 0.00 -1.69 0.09 0.00 -0.55 0.00 0.00 66.41 64.25 2d89 h THR 35 Cb 0.00 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 2d89 h THR 35 CO 0.00 0.54 0.40 -1.28 -0.25 0.00 0.00 175.52 174.92 2d89 h SER 36 N 0.47 0.00 0.00 5.36 0.87 -1.87 -1.24 113.55 117.14 2d89 h SER 36 Ca 0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2d89 h SER 36 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2d89 h SER 36 CO 0.11 0.00 -1.46 0.79 -0.53 0.00 0.00 176.83 175.74 2d89 n TRP 37 N -3.53 0.00 -0.28 2.24 7.02 -1.13 -4.54 117.44 117.22 2d89 n TRP 37 Ca 0.05 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.63 2d89 n TRP 37 Cb 0.54 -0.27 0.20 0.00 -2.42 0.00 0.00 31.31 29.36 2d89 n TRP 37 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 2d89 n ARG 38 N -1.98 -0.06 0.21 -0.99 0.63 0.23 -0.10 116.66 114.59 2d89 n ARG 38 Ca -0.06 1.19 -0.13 0.00 -0.92 0.00 0.00 57.85 57.94 2d89 n ARG 38 Cb 0.42 -1.86 -0.07 0.00 0.45 0.00 0.00 32.46 31.40 2d89 n ARG 38 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2d89 h ASN 39 N 0.00 -0.48 0.00 6.15 7.08 -1.83 -3.45 115.58 123.05 2d89 h ASN 39 Ca 0.45 -0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.57 2d89 h ASN 39 Cb 0.89 0.12 0.00 0.00 -2.08 0.00 0.00 38.32 37.25 2d89 h ASN 39 CO -0.76 -0.08 0.00 0.61 -2.08 0.00 0.00 177.43 175.12 2d89 n GLY 40 N -0.20 1.79 0.02 9.14 0.00 0.86 -3.97 105.19 112.83 2d89 n GLY 40 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 2d89 n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d89 h LEU 41 N 0.00 -0.00 -1.01 0.99 3.38 -1.80 -3.23 115.31 113.63 2d89 h LEU 41 Ca 0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2d89 h LEU 41 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 2d89 h LEU 41 CO 0.00 0.12 0.59 0.28 0.09 0.00 0.00 178.44 179.53 2d89 h SER 42 N -0.26 0.65 -0.63 -0.43 0.02 -1.93 0.26 113.55 111.23 2d89 h SER 42 Ca -0.00 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2d89 h SER 42 Cb 0.00 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 2d89 h SER 42 CO 0.00 0.06 0.30 -0.26 -1.14 0.00 0.00 176.83 175.79 2d89 h PHE 43 N 0.54 0.53 0.02 3.45 0.04 -1.93 0.27 116.94 119.86 2d89 h PHE 43 Ca 0.66 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 61.37 2d89 h PHE 43 Cb 1.31 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 39.32 2d89 h PHE 43 CO -0.01 0.21 -0.33 0.00 -0.60 0.00 0.00 178.31 177.58 2d89 h ALA 45 N 0.20 -0.55 -0.58 0.00 0.00 -0.46 -1.55 119.26 116.33 2d89 h ALA 45 Ca -0.05 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2d89 h ALA 45 Cb 1.13 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 2d89 h ALA 45 CO 0.06 -0.86 -0.45 0.82 0.00 0.00 0.00 179.25 178.83 2d89 h ILE 46 N -0.55 0.08 -0.45 0.00 2.04 -0.60 0.56 117.51 118.58 2d89 h ILE 46 Ca 0.02 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.98 2d89 h ILE 46 Cb 0.57 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2d89 h ILE 46 CO -0.16 0.00 0.31 0.25 0.00 0.00 0.00 178.15 178.55 2d89 h LEU 47 N -0.23 0.17 -0.37 1.44 5.85 -1.53 -1.15 115.31 119.49 2d89 h LEU 47 Ca 0.17 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 2d89 h LEU 47 Cb 0.56 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2d89 h LEU 47 CO -0.69 0.10 -0.31 -0.74 -0.34 0.00 0.00 178.44 176.46 2d89 h HIS 48 N 0.19 1.03 -0.95 1.25 2.76 0.11 -2.55 115.15 116.98 2d89 h HIS 48 Ca 0.21 -0.29 0.24 0.00 -2.20 0.00 0.00 60.37 58.33 2d89 h HIS 48 Cb 0.58 -0.22 -0.13 0.00 1.55 0.00 0.00 27.41 29.19 2d89 h HIS 48 CO -0.00 1.09 0.49 1.25 -1.30 0.00 0.00 177.93 179.46 2d89 h HIS 49 N 0.67 0.82 0.03 5.26 -0.00 0.40 -1.70 115.15 120.63 2d89 h HIS 49 Ca 0.07 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2d89 h HIS 49 Cb 0.89 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 2d89 h HIS 49 CO 0.06 -0.02 -0.02 0.74 -0.00 0.00 0.00 177.93 178.70 2d89 h PHE 50 N 0.46 -0.04 -3.18 5.26 -1.00 -1.55 -3.43 116.94 113.46 2d89 h PHE 50 Ca 0.61 -0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.83 2d89 h PHE 50 Cb 1.20 0.01 -0.40 0.00 3.61 0.00 0.00 35.95 40.37 2d89 h PHE 50 CO -0.07 0.65 -0.76 1.03 -1.61 0.00 0.00 178.31 177.54 2d89 s ARG 51 N -2.81 0.69 0.00 1.51 1.81 -0.70 -4.98 118.95 114.47 2d89 s ARG 51 Ca -0.15 -0.83 0.11 0.00 -1.72 0.00 0.00 55.73 53.13 2d89 s ARG 51 Cb -0.01 -1.97 0.65 0.00 -0.45 0.00 0.00 34.95 33.16 2d89 s ARG 51 CO 0.58 -0.87 1.08 -0.35 -0.68 0.00 0.00 175.30 175.06 2d89 n PRO 52 N 4.93 0.49 -0.95 3.54 -0.04 -0.84 -2.44 135.00 139.69 2d89 n PRO 52 Ca -0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.40 2d89 n PRO 52 Cb 0.44 -1.35 0.16 0.00 -0.04 0.00 0.00 33.50 32.71 2d89 n PRO 52 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2d89 n ASP 53 N -0.85 2.52 -0.02 3.54 9.92 -1.26 -4.66 116.55 125.74 2d89 n ASP 53 Ca 0.08 -3.87 -0.03 0.00 -0.53 0.00 0.00 54.79 50.44 2d89 n ASP 53 Cb 0.04 -0.49 -0.02 0.00 -0.64 0.00 0.00 41.12 40.01 2d89 n ASP 53 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2d89 n LEU 54 N -1.02 2.91 -4.74 0.64 4.77 -1.02 -5.08 117.00 113.46 2d89 n LEU 54 Ca 0.25 -0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 2d89 n LEU 54 Cb 0.76 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 2d89 n LEU 54 CO 0.07 0.57 -0.22 -0.63 -1.33 0.00 0.00 177.39 175.84 2d89 s ILE 55 N -2.09 1.56 -0.26 -0.08 1.09 -1.26 -5.01 121.20 115.15 2d89 s ILE 55 Ca -0.06 -1.92 0.12 0.00 -1.10 0.00 0.00 60.65 57.70 2d89 s ILE 55 Cb 0.02 -2.48 0.61 0.00 -1.06 0.00 0.00 42.46 39.54 2d89 s ILE 55 CO 0.11 0.00 1.58 -0.67 -0.10 0.00 0.00 174.94 175.86 2d89 n ASP 56 N -1.23 3.92 -0.15 3.58 2.03 -1.26 -4.65 116.55 118.79 2d89 n ASP 56 Ca -0.12 -3.27 0.28 0.00 0.52 0.00 0.00 54.79 52.21 2d89 n ASP 56 Cb 0.66 -0.64 0.71 0.00 -0.72 0.00 0.00 41.12 41.14 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2d89 h TYR 57 N 1.94 0.00 -0.57 -0.67 5.03 -1.95 0.32 116.97 121.07 2d89 h TYR 57 Ca 0.15 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.63 2d89 h TYR 57 Cb 1.83 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 40.09 2d89 h TYR 57 CO 0.91 0.00 0.42 1.57 -1.32 0.00 0.00 178.16 179.75 2d89 h LYS 58 N 0.00 0.00 -0.38 1.82 2.10 -1.95 -1.77 116.57 116.39 2d89 h LYS 58 Ca 0.41 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.77 2d89 h LYS 58 Cb 1.84 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 32.84 2d89 h LYS 58 CO -0.00 0.00 -0.88 0.45 -2.00 0.00 0.00 179.45 177.02 2d89 n SER 59 N -4.31 2.68 -5.02 7.07 2.88 0.11 -5.07 113.62 111.96 2d89 n SER 59 Ca 0.11 -3.01 -0.19 0.00 -1.33 0.00 0.00 58.87 54.45 2d89 n SER 59 Cb 0.66 -0.41 0.05 0.00 -0.75 0.00 0.00 64.21 63.75 2d89 n SER 59 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2d89 s LEU 60 N -3.00 3.17 0.12 2.46 1.43 -0.67 -5.08 118.68 117.12 2d89 s LEU 60 Ca 0.39 -0.80 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2d89 s LEU 60 Cb 0.37 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.89 2d89 s LEU 60 CO -0.04 -1.24 0.68 0.20 0.23 0.00 0.00 176.35 176.19 2d89 s ASN 61 N -4.60 -0.50 0.00 2.29 0.02 -1.26 -5.01 114.94 105.88 2d89 s ASN 61 Ca 0.60 -0.04 0.08 0.00 -1.02 0.00 0.00 52.86 52.48 2d89 s ASN 61 Cb -0.06 0.55 0.47 0.00 0.02 0.00 0.00 41.25 42.23 2d89 s ASN 61 CO 0.37 -0.90 0.92 -0.81 0.02 0.00 0.00 177.10 176.70 2d89 n PRO 62 N -0.35 0.49 0.21 -0.60 -0.04 -1.26 -2.59 135.00 130.86 2d89 n PRO 62 Ca -0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.43 2d89 n PRO 62 Cb 0.64 -1.25 0.16 0.00 -0.04 0.00 0.00 33.50 33.00 2d89 n PRO 62 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2d89 h GLN 63 N 0.00 0.00 -4.72 0.54 -0.00 -1.98 -3.43 115.11 105.52 2d89 h GLN 63 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 57.97 2d89 h GLN 63 Cb 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 27.48 27.29 2d89 h GLN 63 CO 0.00 0.03 -0.49 -0.51 -0.00 0.00 0.00 178.83 177.86 2d89 s ASP 64 N -6.19 6.00 -0.25 0.06 1.01 -1.07 -4.95 116.67 111.28 2d89 s ASP 64 Ca 0.07 -0.44 -0.15 0.00 0.71 0.00 0.00 52.55 52.73 2d89 s ASP 64 Cb 0.05 -2.12 -0.11 0.00 1.01 0.00 0.00 42.92 41.75 2d89 s ASP 64 CO 0.68 -0.23 -0.30 -0.38 0.21 0.00 0.00 175.17 175.15 2d89 n ILE 65 N 5.09 1.52 -0.03 0.77 5.41 -1.25 -3.94 119.36 126.93 2d89 n ILE 65 Ca -0.13 -0.22 -0.15 0.00 1.00 0.00 0.00 62.75 63.25 2d89 n ILE 65 Cb 0.50 -2.02 -0.10 0.00 -0.71 0.00 0.00 39.64 37.31 2d89 n ILE 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2d89 h LYS 66 N -1.00 0.27 0.45 0.38 3.64 -1.77 -3.14 116.57 115.40 2d89 h LYS 66 Ca -0.50 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 58.62 2d89 h LYS 66 Cb 1.42 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2d89 h LYS 66 CO -0.30 0.91 -0.23 1.49 -2.27 0.00 0.00 179.45 179.06 2d89 h GLU 67 N -0.28 -0.59 -0.96 1.90 4.81 -1.89 0.12 114.58 117.68 2d89 h GLU 67 Ca -0.03 0.04 0.29 0.00 -0.13 0.00 0.00 59.36 59.53 2d89 h GLU 67 Cb 0.99 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.32 2d89 h GLU 67 CO 0.06 -0.39 0.11 0.09 -0.73 0.00 0.00 179.01 178.15 2d89 n ASN 68 N -3.69 -0.03 0.05 1.04 4.13 -1.25 0.23 115.26 115.74 2d89 n ASN 68 Ca -0.08 1.63 -0.13 0.00 1.68 0.00 0.00 54.58 57.68 2d89 n ASN 68 Cb 0.24 -0.63 -0.09 0.00 -1.54 0.00 0.00 39.78 37.77 2d89 n ASN 68 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2d89 h ASN 69 N 0.00 -0.10 -0.29 6.41 2.35 -1.46 -3.17 115.58 119.31 2d89 h ASN 69 Ca 0.63 -0.26 0.07 0.00 -0.55 0.00 0.00 56.30 56.18 2d89 h ASN 69 Cb 1.38 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.70 2d89 h ASN 69 CO -0.87 0.21 -0.24 0.50 -1.65 0.00 0.00 177.43 175.38 2d89 h LYS 70 N -0.42 -0.21 -0.82 0.81 1.63 0.19 -2.35 116.57 115.41 2d89 h LYS 70 Ca -0.01 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 2d89 h LYS 70 Cb 0.35 0.05 -0.12 0.00 -0.60 0.00 0.00 32.23 31.92 2d89 h LYS 70 CO 0.02 -0.14 -0.53 0.87 -3.45 0.00 0.00 179.45 176.22 2d89 h LYS 71 N -0.22 -0.11 0.00 1.90 1.57 -0.99 -1.68 116.57 117.04 2d89 h LYS 71 Ca 0.15 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2d89 h LYS 71 Cb 0.46 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2d89 h LYS 71 CO -0.42 -0.07 -0.06 0.00 -0.57 0.00 0.00 179.45 178.33 2d89 h ALA 72 N 0.53 -0.57 -0.67 3.86 0.00 -1.41 -2.53 119.26 118.48 2d89 h ALA 72 Ca 0.17 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2d89 h ALA 72 Cb 0.50 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 2d89 h ALA 72 CO -0.84 -0.58 -0.27 0.66 0.00 0.00 0.00 179.25 178.22 2d89 n TYR 73 N -2.82 0.01 -0.28 0.00 4.01 -0.93 0.24 117.16 117.39 2d89 n TYR 73 Ca -0.01 0.83 0.09 0.00 -0.16 0.00 0.00 57.90 58.65 2d89 n TYR 73 Cb 0.04 -0.74 0.24 0.00 -0.31 0.00 0.00 39.34 38.57 2d89 n TYR 73 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2d89 h ASP 74 N 0.00 0.15 0.01 7.72 3.58 -0.91 0.27 116.42 127.25 2d89 h ASP 74 Ca 0.23 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 2d89 h ASP 74 Cb 0.40 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2d89 h ASP 74 CO -0.66 -0.02 -0.01 1.23 -2.88 0.00 0.00 179.24 176.90 2d89 h GLY 75 N 0.33 -0.02 -0.02 -0.78 0.00 0.33 -2.51 103.07 100.41 2d89 h GLY 75 Ca 0.49 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.91 2d89 h GLY 75 CO -0.53 -0.01 -0.19 0.74 0.00 0.00 0.00 176.54 176.56 2d89 h PHE 76 N -0.97 -0.47 -0.32 5.60 0.04 0.01 -0.22 116.94 120.61 2d89 h PHE 76 Ca -0.00 0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 2d89 h PHE 76 Cb 0.67 0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 2d89 h PHE 76 CO 0.18 -0.27 -0.13 0.00 -0.60 0.00 0.00 178.31 177.48 2d89 h ALA 77 N 1.22 1.17 -0.75 2.45 0.00 -0.39 -1.97 119.26 121.00 2d89 h ALA 77 Ca 0.21 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2d89 h ALA 77 Cb 0.42 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 2d89 h ALA 77 CO -0.50 0.53 -0.22 1.03 0.00 0.00 0.00 179.25 180.09 2d89 h SER 78 N 0.52 -0.79 -0.42 0.00 0.87 -0.56 0.13 113.55 113.29 2d89 h SER 78 Ca 0.09 0.23 -0.15 0.00 -1.23 0.00 0.00 61.79 60.74 2d89 h SER 78 Cb 0.54 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2d89 h SER 78 CO 0.03 -0.26 -0.30 0.16 -0.53 0.00 0.00 176.83 175.93 2d89 h ILE 79 N -0.02 1.27 0.00 2.23 3.07 -1.45 -3.46 117.51 119.15 2d89 h ILE 79 Ca 0.35 -1.47 0.00 0.00 1.55 0.00 0.00 64.86 65.29 2d89 h ILE 79 Cb 0.56 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 2d89 h ILE 79 CO -0.78 0.50 0.00 0.61 -1.05 0.00 0.00 178.15 177.43 2d89 n GLY 80 N 0.00 0.00 3.21 0.16 0.00 0.45 -5.12 105.19 103.89 2d89 n GLY 80 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2d89 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d89 s ILE 81 N 0.00 4.28 0.87 -0.61 1.01 -0.75 -4.95 121.20 121.05 2d89 s ILE 81 Ca 0.00 -1.99 -0.17 0.00 0.00 0.00 0.00 60.65 58.50 2d89 s ILE 81 Cb 0.00 -3.80 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 2d89 s ILE 81 CO 0.00 -0.81 -0.40 -1.20 0.00 0.00 0.00 174.94 172.53 2d89 n SER 82 N 4.66 -4.63 -4.36 3.58 7.64 -1.26 -3.03 113.62 116.21 2d89 n SER 82 Ca -0.04 0.33 -0.46 0.00 1.01 0.00 0.00 58.87 59.71 2d89 n SER 82 Cb 0.41 -0.88 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 2d89 n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d89 s ARG 83 N -2.07 3.47 -0.04 1.43 3.00 -1.26 -4.83 118.95 118.65 2d89 s ARG 83 Ca 0.48 -2.08 -0.21 0.00 0.00 0.00 0.00 55.73 53.92 2d89 s ARG 83 Cb -0.26 -4.51 -0.32 0.00 0.00 0.00 0.00 34.95 29.86 2d89 s ARG 83 CO 0.75 -1.44 0.89 -0.07 0.00 0.00 0.00 175.30 175.44 2d89 h LEU 84 N 8.77 0.51 -9.99 2.53 4.07 -1.97 -3.46 115.31 115.78 2d89 h LEU 84 Ca 0.03 -0.95 -0.57 0.00 0.08 0.00 0.00 57.88 56.47 2d89 h LEU 84 Cb 1.05 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 2d89 h LEU 84 CO 0.91 1.44 -0.41 -0.22 -1.08 0.00 0.00 178.44 179.07 2d89 s LEU 85 N -7.83 4.30 0.04 1.67 2.96 -1.26 -5.05 118.68 113.51 2d89 s LEU 85 Ca -0.13 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2d89 s LEU 85 Cb 0.01 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 2d89 s LEU 85 CO 0.84 0.06 -0.06 -1.61 -1.32 0.00 0.00 176.35 174.26 2d89 s GLU 86 N -2.94 2.48 -0.02 1.98 0.41 -1.26 -5.05 118.70 114.30 2d89 s GLU 86 Ca 0.37 -0.79 -0.26 0.00 -0.41 0.00 0.00 54.97 53.88 2d89 s GLU 86 Cb -0.12 -2.47 -0.20 0.00 -1.78 0.00 0.00 34.13 29.56 2d89 s GLU 86 CO 0.28 0.58 1.24 -1.00 -0.49 0.00 0.00 175.26 175.87 2d89 h PRO 87 N 4.18 -0.03 0.10 0.39 0.13 -1.91 -3.30 132.00 131.56 2d89 h PRO 87 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2d89 h PRO 87 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2d89 h PRO 87 CO 0.54 0.44 -0.13 0.66 -0.23 0.00 0.00 178.00 179.29 2d89 h SER 88 N -0.52 -0.35 -0.85 1.44 4.64 -1.92 -2.58 113.55 113.41 2d89 h SER 88 Ca -0.00 0.04 0.25 0.00 -0.47 0.00 0.00 61.79 61.61 2d89 h SER 88 Cb 0.49 0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 62.55 2d89 h SER 88 CO 0.01 -0.20 0.08 0.47 -0.87 0.00 0.00 176.83 176.32 2d89 n ASP 89 N -5.25 -0.04 -0.29 4.97 9.92 -1.25 0.22 116.55 124.83 2d89 n ASP 89 Ca -0.07 1.44 0.01 0.00 -0.53 0.00 0.00 54.79 55.64 2d89 n ASP 89 Cb 0.17 -0.55 0.14 0.00 -0.64 0.00 0.00 41.12 40.24 2d89 n ASP 89 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 2d89 h MET 90 N 0.00 0.87 0.05 -1.24 2.86 -1.53 -2.55 114.93 113.38 2d89 h MET 90 Ca 0.55 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.13 2d89 h MET 90 Cb 1.19 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2d89 h MET 90 CO -0.78 0.57 -0.02 0.28 1.06 0.00 0.00 176.91 178.02 2d89 h VAL 91 N 0.89 1.30 -0.51 -2.22 2.07 0.26 -3.36 116.25 114.68 2d89 h VAL 91 Ca 0.36 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 66.41 2d89 h VAL 91 Cb 0.20 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 2d89 h VAL 91 CO -0.18 0.36 -0.30 -0.07 0.02 0.00 0.00 177.57 177.39 2d89 h LEU 92 N -0.79 -1.12-10.67 2.57 3.38 -0.61 -3.41 115.31 104.66 2d89 h LEU 92 Ca -0.01 0.17 -0.47 0.00 0.09 0.00 0.00 57.88 57.67 2d89 h LEU 92 Cb 0.65 0.49 0.07 0.00 0.09 0.00 0.00 40.66 41.96 2d89 h LEU 92 CO 0.01 -0.12 0.05 -1.48 0.09 0.00 0.00 178.44 177.00 2d89 s LEU 93 N -8.32 3.04 -0.11 1.67 0.05 -0.98 -5.07 118.68 108.96 2d89 s LEU 93 Ca -0.06 -0.39 -0.06 0.00 0.05 0.00 0.00 54.13 53.67 2d89 s LEU 93 Cb 0.06 -2.05 -0.02 0.00 -2.05 0.00 0.00 46.19 42.13 2d89 s LEU 93 CO 0.32 -1.69 -0.11 0.00 -0.55 0.00 0.00 176.35 174.32 2d89 h ALA 94 N -0.34 0.00 -3.11 1.48 0.00 -1.81 -3.45 119.26 112.03 2d89 h ALA 94 Ca -0.36 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 53.60 2d89 h ALA 94 Cb 1.27 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 19.24 2d89 h ALA 94 CO 0.42 0.31 -0.47 0.42 0.00 0.00 0.00 179.25 179.93 2d89 s ILE 95 N -1.90 5.36 0.81 0.00 -1.09 -1.26 -4.98 121.20 118.14 2d89 s ILE 95 Ca -0.09 0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 58.43 2d89 s ILE 95 Cb 0.01 -3.51 0.20 0.00 -1.58 0.00 0.00 42.46 37.58 2d89 s ILE 95 CO 0.13 0.36 0.72 -0.81 -1.23 0.00 0.00 174.94 174.11 2d89 n PRO 96 N 4.10 -2.43 -3.10 2.79 -0.04 -1.26 -4.96 135.00 130.09 2d89 n PRO 96 Ca -0.15 -1.15 -0.45 0.00 -0.04 0.00 0.00 63.50 61.72 2d89 n PRO 96 Cb 0.52 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.87 2d89 n PRO 96 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2d89 s ASP 97 N -3.43 6.45 0.16 3.54 1.11 -1.26 -4.93 116.67 118.30 2d89 s ASP 97 Ca 0.47 -1.90 -0.30 0.00 0.18 0.00 0.00 52.55 51.00 2d89 s ASP 97 Cb -0.05 -2.31 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 2d89 s ASP 97 CO 0.36 -0.98 1.55 0.50 1.18 0.00 0.00 175.17 177.77 2d89 h LYS 98 N 8.76 -0.13 -0.59 8.23 3.64 -1.93 0.26 116.57 134.82 2d89 h LYS 98 Ca -0.07 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.43 2d89 h LYS 98 Cb 1.06 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.79 2d89 h LYS 98 CO 1.02 -0.08 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.83 2d89 h LEU 99 N -0.13 -0.77 0.50 5.20 3.38 -1.92 0.80 115.31 122.37 2d89 h LEU 99 Ca 0.15 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2d89 h LEU 99 Cb 0.49 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2d89 h LEU 99 CO -0.83 -0.25 -0.29 0.74 0.09 0.00 0.00 178.44 177.91 2d89 h THR 100 N -0.07 0.40 -0.02 0.22 2.02 -1.29 -2.08 112.91 112.09 2d89 h THR 100 Ca 0.27 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.47 2d89 h THR 100 Cb 0.49 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 2d89 h THR 100 CO -0.64 0.00 -0.48 0.58 0.37 0.00 0.00 175.52 175.35 2d89 h VAL 101 N -0.74 0.00 -0.80 3.16 2.07 0.19 -0.44 116.25 119.69 2d89 h VAL 101 Ca -0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.64 2d89 h VAL 101 Cb 0.60 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.23 2d89 h VAL 101 CO 0.07 0.00 -0.04 0.24 0.02 0.00 0.00 177.57 177.86 2d89 h MET 102 N -0.59 0.07 -0.98 1.57 2.07 -0.86 0.42 114.93 116.64 2d89 h MET 102 Ca 0.01 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.67 2d89 h MET 102 Cb 0.64 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.30 2d89 h MET 102 CO -0.33 0.04 0.64 1.15 1.07 0.00 0.00 176.91 179.49 2d89 h THR 103 N 0.07 1.19 -0.01 2.22 2.02 -0.59 -2.34 112.91 115.47 2d89 h THR 103 Ca 0.43 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2d89 h THR 103 Cb 0.76 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2d89 h THR 103 CO -0.73 0.23 0.00 0.22 0.37 0.00 0.00 175.52 175.61 2d89 h TYR 104 N 1.27 0.01 -0.05 3.16 3.20 0.14 -3.25 116.97 121.44 2d89 h TYR 104 Ca 0.38 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.28 2d89 h TYR 104 Cb -0.04 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 2d89 h TYR 104 CO -0.00 0.31 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.27 2d89 h LEU 105 N -0.28 -1.50 -0.90 2.82 3.38 -0.68 -0.89 115.31 117.26 2d89 h LEU 105 Ca 0.00 0.18 0.33 0.00 0.09 0.00 0.00 57.88 58.49 2d89 h LEU 105 Cb 0.30 0.59 -0.16 0.00 0.09 0.00 0.00 40.66 41.47 2d89 h LEU 105 CO 0.00 -0.48 0.33 -1.22 0.09 0.00 0.00 178.44 177.15 2d89 n TYR 106 N -5.45 0.89 0.10 1.13 4.01 -0.90 0.80 117.16 117.72 2d89 n TYR 106 Ca -0.06 1.07 -0.12 0.00 -0.16 0.00 0.00 57.90 58.63 2d89 n TYR 106 Cb 0.38 -1.37 -0.06 0.00 -0.31 0.00 0.00 39.34 37.98 2d89 n TYR 106 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2d89 h GLN 107 N 0.00 -0.29 0.71 -0.72 1.08 -1.19 0.34 115.11 115.05 2d89 h GLN 107 Ca 0.69 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.88 2d89 h GLN 107 Cb 1.72 0.07 0.01 0.00 -0.05 0.00 0.00 27.48 29.22 2d89 h GLN 107 CO -0.75 -0.19 -0.34 0.82 -0.95 0.00 0.00 178.83 177.42 2d89 h ILE 108 N -0.30 0.25 -0.99 2.54 5.03 0.48 0.69 117.51 125.21 2d89 h ILE 108 Ca 0.02 -0.12 0.15 0.00 -0.12 0.00 0.00 64.86 64.80 2d89 h ILE 108 Cb 0.31 0.28 -0.09 0.00 -3.03 0.00 0.00 36.82 34.29 2d89 h ILE 108 CO -0.08 0.01 0.61 -0.09 -0.68 0.00 0.00 178.15 177.92 2d89 h ARG 109 N -1.05 0.84 -0.29 2.37 1.12 -1.15 -1.25 114.38 114.98 2d89 h ARG 109 Ca -0.10 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.66 2d89 h ARG 109 Cb 0.75 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 2d89 h ARG 109 CO 0.16 0.56 -0.04 0.00 -3.11 0.00 0.00 179.97 177.54 2d89 h ALA 110 N 1.58 0.40 -0.06 2.80 0.00 -0.14 0.79 119.26 124.63 2d89 h ALA 110 Ca 0.53 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2d89 h ALA 110 Cb 0.67 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2d89 h ALA 110 CO -0.32 0.19 -0.34 1.25 0.00 0.00 0.00 179.25 180.03 2d89 h HIS 111 N 0.32 -0.93 -0.31 0.00 -0.00 0.32 -2.63 115.15 111.91 2d89 h HIS 111 Ca 0.08 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 2d89 h HIS 111 Cb 0.51 0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 2d89 h HIS 111 CO 0.05 -0.42 -0.11 0.74 -0.00 0.00 0.00 177.93 178.18 2d89 h PHE 112 N -0.45 0.71 -3.96 5.26 0.04 -1.44 -3.44 116.94 113.65 2d89 h PHE 112 Ca 0.08 -0.17 -0.47 0.00 2.80 0.00 0.00 57.97 60.22 2d89 h PHE 112 Cb 0.57 -0.17 0.15 0.00 2.20 0.00 0.00 35.95 38.70 2d89 h PHE 112 CO -0.39 0.83 0.22 -1.54 -0.60 0.00 0.00 178.31 176.83 2d89 s SER 113 N -6.27 2.98 -0.13 2.17 1.04 0.27 -5.00 113.70 108.74 2d89 s SER 113 Ca -0.13 1.31 0.10 0.00 0.48 0.00 0.00 55.95 57.71 2d89 s SER 113 Cb 0.09 -1.98 -0.15 0.00 0.10 0.00 0.00 66.02 64.07 2d89 s SER 113 CO 0.79 -2.93 0.02 -1.54 0.98 0.00 0.00 173.24 170.57 2d89 n SER 114 N -4.05 1.89 0.00 7.02 3.41 -1.26 -4.82 113.62 115.81 2d89 n SER 114 Ca 0.06 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2d89 n SER 114 Cb 0.56 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 2d89 n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d89 n GLY 115 N 2.26 -0.22 1.00 5.00 0.00 -1.26 -4.44 105.19 107.53 2d89 n GLY 115 Ca -0.22 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 2d89 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d89 n PRO 116 N 0.83 -1.63 -2.18 1.61 -0.04 -1.26 -4.89 135.00 127.44 2d89 n PRO 116 Ca 0.00 -0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 62.54 2d89 n PRO 116 Cb 0.00 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.96 2d89 n PRO 116 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d89 s SER 117 N -2.35 6.82 -1.29 3.54 1.04 -1.26 -2.84 113.70 117.35 2d89 s SER 117 Ca 0.20 2.19 -0.07 0.00 0.48 0.00 0.00 55.95 58.75 2d89 s SER 117 Cb -0.02 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.54 2d89 s SER 117 CO 0.16 -0.72 1.12 -0.24 0.98 0.00 0.00 173.24 174.53 2d89 n SER 118 N 5.15 -5.52 -0.78 7.02 2.88 -1.26 -5.28 113.62 115.83 2d89 n SER 118 Ca 0.13 -0.54 0.13 0.00 -1.33 0.00 0.00 58.87 57.26 2d89 n SER 118 Cb 0.43 -4.92 0.26 0.00 -0.75 0.00 0.00 64.21 59.23 2d89 n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42