#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 -0.56 -1.75 1.61 0.15 -1.26 -4.95 113.70 106.94 2d89 s SER 2 Ca 0.00 0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.63 2d89 s SER 2 Cb 0.00 0.56 0.16 0.00 -1.71 0.00 0.00 66.02 65.03 2d89 s SER 2 CO 0.00 -0.85 0.55 -1.54 1.20 0.00 0.00 173.24 172.60 2d89 n SER 3 N -0.09 -1.71 -4.07 5.45 3.41 -1.26 -4.91 113.62 110.45 2d89 n SER 3 Ca -0.16 -1.17 -0.23 0.00 -0.26 0.00 0.00 58.87 57.04 2d89 n SER 3 Cb 0.63 -2.01 -0.09 0.00 -0.26 0.00 0.00 64.21 62.48 2d89 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d89 s GLY 4 N -3.51 2.43 0.27 5.00 0.00 -1.26 -5.16 107.32 105.08 2d89 s GLY 4 Ca 0.63 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.87 2d89 s GLY 4 CO 0.99 -1.75 0.46 -0.56 0.00 0.00 0.00 173.10 172.23 2d89 s SER 5 N -3.53 6.35 0.15 1.64 0.01 -1.26 -5.11 113.70 111.94 2d89 s SER 5 Ca 0.29 0.39 0.06 0.00 1.31 0.00 0.00 55.95 57.99 2d89 s SER 5 Cb 0.04 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 2d89 s SER 5 CO 0.16 -0.15 0.05 -0.55 0.41 0.00 0.00 173.24 173.16 2d89 s SER 6 N -3.62 5.14 0.00 2.44 0.15 -1.26 -5.05 113.70 111.49 2d89 s SER 6 Ca 0.39 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2d89 s SER 6 Cb -0.10 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2d89 s SER 6 CO 0.32 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2d89 n GLY 7 N -0.04 3.63 0.17 9.45 0.00 -1.26 -4.95 105.19 112.19 2d89 n GLY 7 Ca -0.09 -1.38 -0.00 0.00 0.00 0.00 0.00 46.02 44.55 2d89 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d89 h PRO 8 N 0.00 0.05 -0.66 1.61 0.13 -1.97 -3.31 132.00 127.86 2d89 h PRO 8 Ca 0.00 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2d89 h PRO 8 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2d89 h PRO 8 CO 0.00 0.53 -0.39 0.09 -0.23 0.00 0.00 178.00 178.00 2d89 n ASN 9 N -3.96 -0.70 -4.44 1.44 3.02 -1.26 -4.44 115.26 104.92 2d89 n ASN 9 Ca -0.02 1.24 -0.36 0.00 -0.03 0.00 0.00 54.58 55.42 2d89 n ASN 9 Cb 0.51 -0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.57 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d89 n ALA 10 N -3.40 -1.79 -0.07 5.41 0.00 -1.25 -4.95 120.51 114.47 2d89 n ALA 10 Ca 0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 2d89 n ALA 10 Cb 0.17 -1.82 -0.12 0.00 0.00 0.00 0.00 19.45 17.68 2d89 n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d89 n SER 11 N -0.31 1.96 -0.28 0.00 7.64 -1.26 -4.20 113.62 117.16 2d89 n SER 11 Ca 0.09 0.34 0.28 0.00 1.01 0.00 0.00 58.87 60.60 2d89 n SER 11 Cb 0.51 -0.93 0.52 0.00 -1.01 0.00 0.00 64.21 63.30 2d89 n SER 11 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2d89 n GLN 12 N -4.09 -0.05 -0.32 1.43 7.27 -1.26 -0.22 117.38 120.14 2d89 n GLN 12 Ca -0.33 1.22 -0.08 0.00 0.07 0.00 0.00 57.00 57.89 2d89 n GLN 12 Cb 0.82 -2.20 -0.04 0.00 2.41 0.00 0.00 30.24 31.23 2d89 n GLN 12 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2d89 h SER 13 N 0.00 -1.73 0.48 1.69 4.64 -1.91 0.26 113.55 116.98 2d89 h SER 13 Ca 0.75 0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 62.34 2d89 h SER 13 Cb 1.99 0.80 -0.00 0.00 -0.31 0.00 0.00 62.40 64.87 2d89 h SER 13 CO -0.68 -0.29 -0.31 0.25 -0.87 0.00 0.00 176.83 174.92 2d89 h LEU 14 N -0.11 -0.80 -1.87 5.97 5.85 -0.86 0.28 115.31 123.77 2d89 h LEU 14 Ca 0.21 0.05 0.55 0.00 0.84 0.00 0.00 57.88 59.52 2d89 h LEU 14 Cb 0.53 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 2d89 h LEU 14 CO -0.84 -0.47 1.30 0.25 -0.34 0.00 0.00 178.44 178.34 2d89 h LEU 15 N -0.75 0.04 0.00 2.25 5.85 -1.40 0.48 115.31 121.79 2d89 h LEU 15 Ca -0.06 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2d89 h LEU 15 Cb 0.60 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2d89 h LEU 15 CO 0.05 -0.05 -0.03 0.58 -0.34 0.00 0.00 178.44 178.65 2d89 h VAL 16 N 0.00 1.66 -0.78 1.05 2.07 -0.27 -3.19 116.25 116.80 2d89 h VAL 16 Ca 0.92 -2.26 0.15 0.00 0.82 0.00 0.00 66.70 66.33 2d89 h VAL 16 Cb 3.55 3.15 -0.14 0.00 -1.52 0.00 0.00 31.29 36.32 2d89 h VAL 16 CO -0.10 0.56 -0.22 1.87 0.02 0.00 0.00 177.57 179.70 2d89 n TRP 17 N -4.62 0.23 0.08 1.57 -0.00 0.17 0.44 117.44 115.30 2d89 n TRP 17 Ca -0.10 0.95 -0.03 0.00 -0.00 0.00 0.00 57.50 58.32 2d89 n TRP 17 Cb 0.45 -0.92 -0.02 0.00 -0.00 0.00 0.00 31.31 30.83 2d89 n TRP 17 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2d89 h LYS 19 N -0.31 0.00 0.23 0.00 1.57 -1.23 0.36 116.57 117.19 2d89 h LYS 19 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2d89 h LYS 19 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2d89 h LYS 19 CO 0.04 0.00 -0.11 1.49 -0.57 0.00 0.00 179.45 180.30 2d89 h GLU 20 N 0.00 -0.30 0.00 3.15 4.81 0.07 -2.68 114.58 119.63 2d89 h GLU 20 Ca 0.67 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.92 2d89 h GLU 20 Cb 3.09 0.07 0.00 0.00 0.63 0.00 0.00 28.75 32.54 2d89 h GLU 20 CO -0.01 0.03 0.00 -0.39 -0.73 0.00 0.00 179.01 177.91 2d89 h VAL 21 N -0.95 0.00 -0.51 0.32 -1.51 0.03 -2.08 116.25 111.54 2d89 h VAL 21 Ca -0.03 -0.23 -0.18 0.00 -1.23 0.00 0.00 66.70 65.03 2d89 h VAL 21 Cb 0.47 1.00 -0.11 0.00 -2.13 0.00 0.00 31.29 30.53 2d89 h VAL 21 CO 0.05 0.00 0.13 0.35 -1.23 0.00 0.00 177.57 176.87 2d89 n THR 22 N -2.53 2.67 -0.05 7.19 -2.24 0.51 -4.60 114.28 115.23 2d89 n THR 22 Ca 0.01 -2.08 -0.13 0.00 -2.27 0.00 0.00 64.05 59.58 2d89 n THR 22 Cb 0.19 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.02 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 1.74 0.29 -1.59 -0.78 1.57 -1.01 -3.17 116.57 113.61 2d89 h LYS 23 Ca 0.22 -0.13 -0.54 0.00 -1.87 0.00 0.00 60.65 58.33 2d89 h LYS 23 Cb 1.94 -0.01 -0.21 0.00 0.08 0.00 0.00 32.23 34.03 2d89 h LYS 23 CO 0.53 0.62 0.65 0.09 -0.57 0.00 0.00 179.45 180.77 2d89 n ASN 24 N -4.66 6.99 -4.63 0.86 5.03 -1.26 -4.93 115.26 112.65 2d89 n ASN 24 Ca -0.06 -3.43 -0.27 0.00 0.87 0.00 0.00 54.58 51.70 2d89 n ASN 24 Cb 0.29 -1.09 -0.10 0.00 -1.02 0.00 0.00 39.78 37.87 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 -2.72 2.52 -0.14 3.10 1.51 -1.20 -5.14 117.35 115.29 2d89 s TYR 25 Ca 0.51 -0.60 -0.00 0.00 -1.01 0.00 0.00 57.07 55.97 2d89 s TYR 25 Cb 0.38 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2d89 s TYR 25 CO -0.14 0.42 -0.13 1.03 -1.11 0.00 0.00 175.55 175.63 2d89 s ARG 26 N -3.73 3.38 -0.93 -0.62 1.81 -1.26 -4.66 118.95 112.93 2d89 s ARG 26 Ca 0.36 -0.69 -0.01 0.00 -1.72 0.00 0.00 55.73 53.67 2d89 s ARG 26 Cb 0.06 -2.65 0.00 0.00 -0.45 0.00 0.00 34.95 31.91 2d89 s ARG 26 CO 0.19 0.18 0.78 0.41 -0.68 0.00 0.00 175.30 176.18 2d89 n GLY 27 N 3.63 -0.17 2.78 -3.53 0.00 -1.26 -5.02 105.19 101.62 2d89 n GLY 27 Ca -0.18 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.27 0.85 -0.05 1.61 1.01 -1.26 -4.91 120.40 114.39 2d89 s VAL 28 Ca 0.08 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2d89 s VAL 28 Cb -0.04 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2d89 s VAL 28 CO 0.55 -0.32 -0.03 -1.59 0.00 0.00 0.00 175.10 173.71 2d89 s LYS 29 N 1.68 0.74 -0.71 2.72 0.00 -1.26 -5.01 119.74 117.91 2d89 s LYS 29 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 55.97 55.92 2d89 s LYS 29 Cb -0.18 -0.83 0.18 0.00 0.00 0.00 0.00 37.83 37.00 2d89 s LYS 29 CO -0.12 -0.13 0.53 0.42 0.00 0.00 0.00 175.35 176.05 2d89 s ILE 30 N 1.12 3.76 -0.11 3.79 1.09 -1.26 -4.72 121.20 124.87 2d89 s ILE 30 Ca -0.08 -3.37 0.13 0.00 -1.10 0.00 0.00 60.65 56.23 2d89 s ILE 30 Cb -0.14 -3.42 -0.24 0.00 -1.06 0.00 0.00 42.46 37.60 2d89 s ILE 30 CO -0.01 -0.95 0.42 1.07 -0.10 0.00 0.00 174.94 175.37 2d89 n THR 31 N 2.98 1.54 -3.77 2.92 5.66 -1.26 -4.97 114.28 117.38 2d89 n THR 31 Ca 0.13 -0.80 -0.13 0.00 -3.05 0.00 0.00 64.05 60.19 2d89 n THR 31 Cb 0.37 -0.89 -0.10 0.00 -1.55 0.00 0.00 70.33 68.17 2d89 n THR 31 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2d89 s ASN 32 N -5.94 -0.22 -0.01 1.09 0.01 -1.26 -5.03 114.94 103.57 2d89 s ASN 32 Ca -0.08 0.27 -0.00 0.00 -0.71 0.00 0.00 52.86 52.34 2d89 s ASN 32 Cb 0.07 0.43 0.01 0.00 0.41 0.00 0.00 41.25 42.17 2d89 s ASN 32 CO 0.82 -0.30 1.98 0.49 -1.51 0.00 0.00 177.10 178.58 2d89 n PHE 33 N 1.95 0.06 0.01 2.20 3.72 -1.26 -2.92 117.46 121.23 2d89 n PHE 33 Ca -0.18 -1.03 0.00 0.00 -0.05 0.00 0.00 57.45 56.19 2d89 n PHE 33 Cb 0.57 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.44 0.10 0.05 4.37 -2.24 -1.26 -4.30 114.28 112.43 2d89 n THR 34 Ca 0.01 0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.62 2d89 n THR 34 Cb 0.50 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.91 -1.12 4.28 1.35 -1.91 -2.32 112.91 114.10 2d89 h THR 35 Ca 0.00 -2.56 0.32 0.00 -0.55 0.00 0.00 66.41 63.63 2d89 h THR 35 Cb 0.00 2.67 -0.04 0.00 -1.73 0.00 0.00 68.15 69.05 2d89 h THR 35 CO 0.00 0.83 0.93 0.28 -0.25 0.00 0.00 175.52 177.31 2d89 h SER 36 N 0.08 0.00 0.00 5.36 0.02 -1.82 0.18 113.55 117.38 2d89 h SER 36 Ca -0.33 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.58 2d89 h SER 36 Cb 2.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.59 2d89 h SER 36 CO 0.15 0.00 -1.48 0.79 -1.14 0.00 0.00 176.83 175.14 2d89 n TRP 37 N -3.86 0.00 -0.31 3.45 7.02 -1.25 -4.30 117.44 118.19 2d89 n TRP 37 Ca 0.24 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.67 2d89 n TRP 37 Cb 1.29 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.89 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 -1.95 -0.26 0.32 -0.99 0.63 0.63 -0.25 116.66 114.79 2d89 n ARG 38 Ca -0.05 1.17 -0.17 0.00 -0.92 0.00 0.00 57.85 57.88 2d89 n ARG 38 Cb 0.37 -1.72 -0.09 0.00 0.45 0.00 0.00 32.46 31.47 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 -0.65 0.00 6.15 -1.07 -1.84 -3.46 115.58 114.72 2d89 h ASN 39 Ca 0.19 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.58 2d89 h ASN 39 Cb 0.38 0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 2d89 h ASN 39 CO -0.74 -0.46 0.00 0.61 0.07 0.00 0.00 177.43 176.91 2d89 n GLY 40 N -1.42 1.23 0.34 9.14 0.00 0.66 -3.87 105.19 111.26 2d89 n GLY 40 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.02 -0.52 0.99 3.38 -1.84 -1.12 115.31 115.19 2d89 h LEU 41 Ca 0.00 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2d89 h LEU 41 Cb 0.00 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2d89 h LEU 41 CO 0.00 -0.36 0.17 0.28 0.09 0.00 0.00 178.44 178.62 2d89 h SER 42 N -0.38 0.15 -0.39 -0.43 0.02 -1.90 0.21 113.55 110.82 2d89 h SER 42 Ca 0.10 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 2d89 h SER 42 Cb 0.55 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.08 2d89 h SER 42 CO -0.37 0.11 -0.03 -0.26 -1.14 0.00 0.00 176.83 175.13 2d89 h PHE 43 N 0.34 -0.08 -0.28 3.45 0.04 -1.66 -1.39 116.94 117.34 2d89 h PHE 43 Ca 0.25 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.99 2d89 h PHE 43 Cb 0.30 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2d89 h PHE 43 CO -0.18 -0.11 -0.08 0.00 -0.60 0.00 0.00 178.31 177.35 2d89 h ALA 45 N 0.78 -0.21 0.16 0.00 0.00 -0.03 0.34 119.26 120.29 2d89 h ALA 45 Ca 0.07 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2d89 h ALA 45 Cb 0.56 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2d89 h ALA 45 CO 0.03 -0.73 -0.51 0.82 0.00 0.00 0.00 179.25 178.86 2d89 h ILE 46 N -0.27 0.00 -0.10 0.00 2.04 -1.29 0.20 117.51 118.09 2d89 h ILE 46 Ca 0.16 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 2d89 h ILE 46 Cb 0.53 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2d89 h ILE 46 CO -0.50 0.00 0.13 0.25 0.00 0.00 0.00 178.15 178.03 2d89 h LEU 47 N -0.75 0.00 -0.15 1.44 5.85 -1.37 -0.02 115.31 120.30 2d89 h LEU 47 Ca -0.01 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 2d89 h LEU 47 Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2d89 h LEU 47 CO -0.25 0.00 -0.98 -0.74 -0.34 0.00 0.00 178.44 176.13 2d89 h HIS 48 N 0.00 0.37 -0.29 1.25 2.76 0.17 -2.63 115.15 116.78 2d89 h HIS 48 Ca 0.05 -0.22 0.01 0.00 -2.20 0.00 0.00 60.37 58.00 2d89 h HIS 48 Cb 0.30 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2d89 h HIS 48 CO 0.00 1.07 0.17 1.25 -1.30 0.00 0.00 177.93 179.13 2d89 h HIS 49 N 0.11 0.33 -0.26 5.26 -0.00 0.13 -1.99 115.15 118.73 2d89 h HIS 49 Ca -0.07 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.14 2d89 h HIS 49 Cb 1.64 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 28.94 2d89 h HIS 49 CO 0.04 0.20 -0.54 0.74 -0.00 0.00 0.00 177.93 178.37 2d89 h PHE 50 N 0.36 0.97 -2.45 5.26 0.04 -1.61 -3.42 116.94 116.09 2d89 h PHE 50 Ca 0.11 -0.34 -0.36 0.00 2.80 0.00 0.00 57.97 60.18 2d89 h PHE 50 Cb -0.01 -0.19 -0.36 0.00 2.20 0.00 0.00 35.95 37.59 2d89 h PHE 50 CO -0.07 1.14 -0.65 1.03 -0.60 0.00 0.00 178.31 179.16 2d89 s ARG 51 N -4.11 0.23 0.00 1.51 1.81 -0.99 -5.00 118.95 112.41 2d89 s ARG 51 Ca -0.10 -0.02 0.15 0.00 -1.72 0.00 0.00 55.73 54.04 2d89 s ARG 51 Cb 0.11 -1.04 0.88 0.00 -0.45 0.00 0.00 34.95 34.44 2d89 s ARG 51 CO 0.87 -0.83 1.29 -0.35 -0.68 0.00 0.00 175.30 175.61 2d89 n PRO 52 N 5.31 0.49 -0.06 3.54 -0.04 -0.77 -2.43 135.00 141.03 2d89 n PRO 52 Ca -0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.35 2d89 n PRO 52 Cb 0.47 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.97 2.21 -0.33 3.54 8.00 -1.26 -4.56 116.55 123.18 2d89 n ASP 53 Ca 0.11 -0.01 0.18 0.00 0.71 0.00 0.00 54.79 55.77 2d89 n ASP 53 Cb 0.05 0.64 0.38 0.00 -0.02 0.00 0.00 41.12 42.17 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d89 h LEU 54 N 0.00 0.56 -9.67 0.64 3.38 -1.79 -3.42 115.31 105.02 2d89 h LEU 54 Ca -0.32 0.15 -0.60 0.00 0.09 0.00 0.00 57.88 57.20 2d89 h LEU 54 Cb 1.69 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 42.39 2d89 h LEU 54 CO 0.01 0.04 -0.53 -0.63 0.09 0.00 0.00 178.44 177.42 2d89 s ILE 55 N -5.78 0.94 -0.35 1.22 1.09 -1.26 -4.95 121.20 112.10 2d89 s ILE 55 Ca -0.11 -2.00 0.07 0.00 -1.10 0.00 0.00 60.65 57.51 2d89 s ILE 55 Cb 0.27 -2.35 0.57 0.00 -1.06 0.00 0.00 42.46 39.89 2d89 s ILE 55 CO 0.79 0.00 1.63 -0.67 -0.10 0.00 0.00 174.94 176.59 2d89 n ASP 56 N -1.23 2.96 0.27 3.58 2.03 -1.26 -4.66 116.55 118.23 2d89 n ASP 56 Ca -0.11 -3.73 0.17 0.00 0.52 0.00 0.00 54.79 51.64 2d89 n ASP 56 Cb 0.66 -0.71 0.83 0.00 -0.72 0.00 0.00 41.12 41.17 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 1.01 0.00 0.00 -0.67 5.03 -1.91 0.24 116.97 120.67 2d89 h TYR 57 Ca 0.38 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.68 2d89 h TYR 57 Cb 2.10 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 40.38 2d89 h TYR 57 CO 1.25 0.00 -0.06 1.57 -1.32 0.00 0.00 178.16 179.61 2d89 h LYS 58 N 0.00 0.00 0.00 1.82 2.10 -1.88 -2.73 116.57 115.88 2d89 h LYS 58 Ca 0.05 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.62 2d89 h LYS 58 Cb 0.71 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.86 2d89 h LYS 58 CO -0.00 0.06 -0.73 0.45 -2.00 0.00 0.00 179.45 177.23 2d89 n SER 59 N -3.63 1.29 -3.28 7.07 2.88 0.80 -5.08 113.62 113.66 2d89 n SER 59 Ca -0.02 -2.82 -0.11 0.00 -1.33 0.00 0.00 58.87 54.59 2d89 n SER 59 Cb 0.16 -0.39 0.06 0.00 -0.75 0.00 0.00 64.21 63.29 2d89 n SER 59 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2d89 n LEU 60 N -0.29 0.00 -3.56 2.46 4.77 -0.97 -5.09 117.00 114.32 2d89 n LEU 60 Ca 0.11 -1.06 -0.06 0.00 -0.03 0.00 0.00 56.01 54.97 2d89 n LEU 60 Cb 0.91 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2d89 n LEU 60 CO -0.03 -0.73 0.88 0.20 -1.33 0.00 0.00 177.39 176.38 2d89 s ASN 61 N -3.01 -0.23 0.00 -1.43 0.02 -1.26 -5.01 114.94 104.02 2d89 s ASN 61 Ca 0.33 0.01 0.11 0.00 -1.02 0.00 0.00 52.86 52.29 2d89 s ASN 61 Cb -0.02 0.24 0.64 0.00 0.02 0.00 0.00 41.25 42.13 2d89 s ASN 61 CO 0.22 -0.38 1.08 -0.81 0.02 0.00 0.00 177.10 177.23 2d89 n PRO 62 N -0.12 0.49 0.01 -0.60 -0.04 -1.26 -2.58 135.00 130.90 2d89 n PRO 62 Ca -0.03 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.57 2d89 n PRO 62 Cb 0.60 -1.34 0.59 0.00 -0.04 0.00 0.00 33.50 33.31 2d89 n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d89 n GLN 63 N -0.84 0.03 -3.93 0.54 -0.00 -1.26 -4.63 117.38 107.29 2d89 n GLN 63 Ca 0.08 0.03 -0.35 0.00 -0.00 0.00 0.00 57.00 56.76 2d89 n GLN 63 Cb 0.04 -1.53 -0.14 0.00 -0.00 0.00 0.00 30.24 28.60 2d89 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2d89 s ASP 64 N -3.17 4.55 -0.23 2.61 1.01 -1.07 -4.98 116.67 115.40 2d89 s ASP 64 Ca 0.14 -0.99 -0.17 0.00 0.71 0.00 0.00 52.55 52.24 2d89 s ASP 64 Cb 0.18 -1.69 -0.13 0.00 1.01 0.00 0.00 42.92 42.29 2d89 s ASP 64 CO 0.54 -0.17 -0.14 -0.38 0.21 0.00 0.00 175.17 175.23 2d89 n ILE 65 N 4.67 1.52 0.15 0.77 5.41 -1.26 -3.87 119.36 126.75 2d89 n ILE 65 Ca -0.15 -0.13 -0.12 0.00 1.00 0.00 0.00 62.75 63.35 2d89 n ILE 65 Cb 0.46 -2.05 -0.07 0.00 -0.71 0.00 0.00 39.64 37.26 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 -0.41 0.07 0.38 3.64 -1.78 -3.11 116.57 114.36 2d89 h LYS 66 Ca -0.41 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2d89 h LYS 66 Cb 1.30 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2d89 h LYS 66 CO -0.25 -0.08 -0.14 1.49 -2.27 0.00 0.00 179.45 178.20 2d89 h GLU 67 N -0.85 -0.22 -0.77 1.90 4.57 -1.89 0.21 114.58 117.53 2d89 h GLU 67 Ca -0.04 0.02 0.32 0.00 -1.18 0.00 0.00 59.36 58.47 2d89 h GLU 67 Cb 0.52 0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.02 2d89 h GLU 67 CO 0.07 -0.15 0.40 0.09 -1.18 0.00 0.00 179.01 178.25 2d89 n ASN 68 N -3.22 0.26 -0.03 1.04 4.13 -1.25 0.15 115.26 116.34 2d89 n ASN 68 Ca -0.03 1.27 -0.15 0.00 1.68 0.00 0.00 54.58 57.36 2d89 n ASN 68 Cb 0.12 -0.62 -0.11 0.00 -1.54 0.00 0.00 39.78 37.63 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 0.21 -0.93 6.41 2.35 -1.26 -3.24 115.58 119.12 2d89 h ASN 69 Ca 0.65 -0.76 0.08 0.00 -0.55 0.00 0.00 56.30 55.72 2d89 h ASN 69 Cb 1.71 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.94 2d89 h ASN 69 CO -0.59 0.94 0.58 0.50 -1.65 0.00 0.00 177.43 177.20 2d89 h LYS 70 N -0.50 0.97 -0.39 0.81 3.64 0.46 -1.94 116.57 119.61 2d89 h LYS 70 Ca -0.03 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2d89 h LYS 70 Cb 0.97 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 2d89 h LYS 70 CO 0.04 0.64 0.01 0.87 -2.27 0.00 0.00 179.45 178.75 2d89 h LYS 71 N 1.00 0.12 0.55 1.90 1.57 -0.65 -1.92 116.57 119.13 2d89 h LYS 71 Ca 0.43 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 2d89 h LYS 71 Cb 0.29 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.58 2d89 h LYS 71 CO -0.21 0.08 -0.26 0.00 -0.57 0.00 0.00 179.45 178.48 2d89 h ALA 72 N 1.34 -1.04 -1.34 3.86 0.00 -1.41 -1.73 119.26 118.95 2d89 h ALA 72 Ca 0.19 -0.16 0.46 0.00 0.00 0.00 0.00 54.91 55.40 2d89 h ALA 72 Cb 0.27 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.21 2d89 h ALA 72 CO -0.31 -0.98 0.86 0.66 0.00 0.00 0.00 179.25 179.47 2d89 n TYR 73 N -4.26 0.67 0.03 0.00 4.01 -0.80 0.23 117.16 117.05 2d89 n TYR 73 Ca -0.09 0.67 -0.18 0.00 -0.16 0.00 0.00 57.90 58.14 2d89 n TYR 73 Cb 0.29 -1.11 -0.08 0.00 -0.31 0.00 0.00 39.34 38.13 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 0.83 0.35 7.72 1.82 -1.17 -2.76 116.42 123.21 2d89 h ASP 74 Ca 0.85 -0.64 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 2d89 h ASP 74 Cb 2.75 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 42.51 2d89 h ASP 74 CO -0.44 1.44 -0.17 1.23 -1.61 0.00 0.00 179.24 179.69 2d89 h GLY 75 N 0.63 -0.49 0.10 -0.78 0.00 0.39 -1.91 103.07 101.01 2d89 h GLY 75 Ca -0.10 0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.50 2d89 h GLY 75 CO 0.19 -0.18 -0.10 0.74 0.00 0.00 0.00 176.54 177.19 2d89 h PHE 76 N -1.06 -0.21 0.00 5.60 0.04 -0.92 0.17 116.94 120.56 2d89 h PHE 76 Ca -0.05 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2d89 h PHE 76 Cb 0.36 0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 2d89 h PHE 76 CO 0.01 -0.19 -0.15 0.00 -0.60 0.00 0.00 178.31 177.38 2d89 h ALA 77 N 1.46 1.48 -1.09 2.45 0.00 -1.09 -2.49 119.26 119.98 2d89 h ALA 77 Ca 0.22 -0.13 0.30 0.00 0.00 0.00 0.00 54.91 55.30 2d89 h ALA 77 Cb 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2d89 h ALA 77 CO -0.46 0.18 0.75 1.03 0.00 0.00 0.00 179.25 180.74 2d89 h SER 78 N 0.00 0.20 0.28 0.00 0.87 0.20 0.10 113.55 115.21 2d89 h SER 78 Ca -0.00 0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 60.27 2d89 h SER 78 Cb 0.32 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 2d89 h SER 78 CO 0.02 0.04 -1.98 2.30 -0.53 0.00 0.00 176.83 176.67 2d89 n ILE 79 N -4.39 1.55 0.00 2.23 -5.35 -1.00 -4.97 119.36 107.42 2d89 n ILE 79 Ca 0.25 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2d89 n ILE 79 Cb 1.05 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 2d89 n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2d89 n GLY 80 N 1.68 0.43 3.55 3.28 0.00 0.35 -5.08 105.19 109.40 2d89 n GLY 80 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 2d89 n GLY 80 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2d89 n ILE 81 N 0.00 -0.01 -0.78 -0.61 5.41 -0.97 -4.83 119.36 117.57 2d89 n ILE 81 Ca 0.00 -0.52 -0.32 0.00 1.00 0.00 0.00 62.75 62.91 2d89 n ILE 81 Cb 0.00 -1.80 0.11 0.00 -0.71 0.00 0.00 39.64 37.24 2d89 n ILE 81 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2d89 n SER 82 N 16.91 -2.65 -4.24 4.38 7.64 -1.26 -2.01 113.62 132.39 2d89 n SER 82 Ca 0.49 -0.11 -0.38 0.00 1.01 0.00 0.00 58.87 59.88 2d89 n SER 82 Cb 0.40 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 62.73 2d89 n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d89 s ARG 83 N -2.87 2.49 -0.06 1.43 3.03 -1.26 -4.72 118.95 116.99 2d89 s ARG 83 Ca 0.45 -1.41 -0.01 0.00 2.03 0.00 0.00 55.73 56.78 2d89 s ARG 83 Cb -0.02 -3.59 -0.26 0.00 -1.03 0.00 0.00 34.95 30.05 2d89 s ARG 83 CO 0.61 -0.85 0.60 -0.07 -1.13 0.00 0.00 175.30 174.46 2d89 h LEU 84 N 8.25 0.32 -9.39 -1.89 4.07 -1.97 -3.46 115.31 111.24 2d89 h LEU 84 Ca -0.21 -0.61 -0.68 0.00 0.08 0.00 0.00 57.88 56.47 2d89 h LEU 84 Cb 1.07 -0.10 -0.13 0.00 1.08 0.00 0.00 40.66 42.58 2d89 h LEU 84 CO 0.68 1.53 -0.58 -0.22 -1.08 0.00 0.00 178.44 178.76 2d89 s LEU 85 N -6.81 3.80 0.04 1.67 2.96 -1.26 -5.07 118.68 114.01 2d89 s LEU 85 Ca -0.14 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2d89 s LEU 85 Cb 0.07 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2d89 s LEU 85 CO 0.81 0.38 0.23 -1.61 -1.32 0.00 0.00 176.35 174.84 2d89 s GLU 86 N -0.99 3.48 -0.02 1.98 0.41 -1.26 -4.99 118.70 117.30 2d89 s GLU 86 Ca 0.14 -0.33 -0.26 0.00 -0.41 0.00 0.00 54.97 54.12 2d89 s GLU 86 Cb -0.12 -3.04 -0.20 0.00 -1.78 0.00 0.00 34.13 29.00 2d89 s GLU 86 CO 0.04 0.62 1.24 -1.00 -0.49 0.00 0.00 175.26 175.67 2d89 h PRO 87 N 3.35 -0.03 0.06 0.39 0.13 -1.89 -3.28 132.00 130.73 2d89 h PRO 87 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2d89 h PRO 87 Cb 1.17 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2d89 h PRO 87 CO 0.73 0.44 -0.32 0.66 -0.23 0.00 0.00 178.00 179.28 2d89 h SER 88 N -0.52 -0.94 -0.93 1.44 4.64 -1.92 -2.15 113.55 113.16 2d89 h SER 88 Ca -0.00 0.12 0.23 0.00 -0.47 0.00 0.00 61.79 61.66 2d89 h SER 88 Cb 0.49 0.37 -0.17 0.00 -0.31 0.00 0.00 62.40 62.77 2d89 h SER 88 CO 0.01 -0.40 -0.08 0.47 -0.87 0.00 0.00 176.83 175.96 2d89 n ASP 89 N -5.41 -0.20 -0.24 4.97 9.92 -1.25 0.12 116.55 124.46 2d89 n ASP 89 Ca -0.06 1.59 0.04 0.00 -0.53 0.00 0.00 54.79 55.83 2d89 n ASP 89 Cb 0.33 -0.54 0.16 0.00 -0.64 0.00 0.00 41.12 40.43 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 0.32 -0.14 -1.24 2.86 -1.44 0.25 114.93 115.54 2d89 h MET 90 Ca 0.52 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 58.09 2d89 h MET 90 Cb 0.96 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 2d89 h MET 90 CO -0.91 0.21 -0.08 0.28 1.06 0.00 0.00 176.91 177.47 2d89 h VAL 91 N 0.33 1.32 0.03 -2.22 2.07 0.99 -3.34 116.25 115.43 2d89 h VAL 91 Ca 0.39 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2d89 h VAL 91 Cb 0.61 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2d89 h VAL 91 CO -0.44 0.34 -0.03 -0.07 0.02 0.00 0.00 177.57 177.39 2d89 h LEU 92 N -0.04 -0.08-10.01 2.57 3.38 -0.29 -3.42 115.31 107.42 2d89 h LEU 92 Ca 0.03 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.51 2d89 h LEU 92 Cb 0.57 0.03 0.06 0.00 0.09 0.00 0.00 40.66 41.40 2d89 h LEU 92 CO 0.02 -0.04 0.46 -0.76 0.09 0.00 0.00 178.44 178.21 2d89 s LEU 93 N -4.79 3.98 0.02 1.67 1.43 -0.01 -4.97 118.68 116.01 2d89 s LEU 93 Ca -0.01 2.22 -0.23 0.00 -1.03 0.00 0.00 54.13 55.08 2d89 s LEU 93 Cb 0.00 -4.31 -0.17 0.00 0.03 0.00 0.00 46.19 41.74 2d89 s LEU 93 CO 0.03 -0.89 1.33 0.00 0.23 0.00 0.00 176.35 177.05 2d89 h ALA 94 N 1.94 0.12 -3.25 4.21 0.00 -1.83 -3.44 119.26 117.01 2d89 h ALA 94 Ca -0.49 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 53.61 2d89 h ALA 94 Cb 1.24 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.65 2d89 h ALA 94 CO 0.60 -0.08 -0.81 0.42 0.00 0.00 0.00 179.25 179.38 2d89 s ILE 95 N -4.37 1.15 0.57 0.00 -1.09 -1.26 -5.00 121.20 111.20 2d89 s ILE 95 Ca -0.15 -0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 57.68 2d89 s ILE 95 Cb 0.04 -1.11 -0.05 0.00 -1.58 0.00 0.00 42.46 39.76 2d89 s ILE 95 CO 0.71 0.38 1.13 -2.16 -1.23 0.00 0.00 174.94 173.77 2d89 s PRO 96 N 1.32 3.25 -0.30 2.79 0.04 -1.26 -4.93 135.00 135.91 2d89 s PRO 96 Ca -0.02 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.31 2d89 s PRO 96 Cb -0.14 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2d89 s PRO 96 CO -0.05 -0.93 1.92 -0.51 0.04 0.00 0.00 177.00 177.47 2d89 s ASP 97 N -1.93 5.77 0.26 6.66 1.11 -1.26 -4.76 116.67 122.51 2d89 s ASP 97 Ca 0.72 1.47 -0.02 0.00 0.18 0.00 0.00 52.55 54.90 2d89 s ASP 97 Cb -0.23 -2.52 0.54 0.00 1.07 0.00 0.00 42.92 41.77 2d89 s ASP 97 CO 0.30 -1.77 1.69 0.50 1.18 0.00 0.00 175.17 177.07 2d89 h LYS 98 N 13.46 0.32 -0.02 8.23 3.64 -1.92 -0.58 116.57 139.70 2d89 h LYS 98 Ca -0.36 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2d89 h LYS 98 Cb 1.19 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2d89 h LYS 98 CO 1.01 0.21 -0.13 -0.07 -2.27 0.00 0.00 179.45 178.20 2d89 h LEU 99 N 0.33 -0.39 0.38 5.20 3.38 -1.89 0.73 115.31 123.06 2d89 h LEU 99 Ca 0.46 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 2d89 h LEU 99 Cb 0.79 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2d89 h LEU 99 CO -0.50 -0.18 -0.29 0.74 0.09 0.00 0.00 178.44 178.29 2d89 h THR 100 N -0.21 0.39 0.29 0.22 2.02 -1.59 -1.05 112.91 112.98 2d89 h THR 100 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2d89 h THR 100 Cb 0.28 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2d89 h THR 100 CO -0.15 0.00 -0.44 0.58 0.37 0.00 0.00 175.52 175.88 2d89 h VAL 101 N -0.67 0.00 -0.95 3.16 2.07 -1.02 -1.90 116.25 116.94 2d89 h VAL 101 Ca -0.03 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.75 2d89 h VAL 101 Cb 0.58 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.22 2d89 h VAL 101 CO -0.01 0.00 0.46 0.24 0.02 0.00 0.00 177.57 178.28 2d89 h MET 102 N -0.76 0.36 0.21 1.57 2.07 -0.83 -0.22 114.93 117.32 2d89 h MET 102 Ca -0.03 -0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.58 2d89 h MET 102 Cb 0.70 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 30.33 2d89 h MET 102 CO -0.14 0.24 -0.24 1.15 1.07 0.00 0.00 176.91 178.99 2d89 h THR 103 N 0.37 0.48 0.33 2.22 2.02 -0.44 -2.09 112.91 115.79 2d89 h THR 103 Ca 0.63 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.81 2d89 h THR 103 Cb 1.29 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2d89 h THR 103 CO -0.57 0.00 -0.47 0.22 0.37 0.00 0.00 175.52 175.07 2d89 h TYR 104 N -0.50 -1.31 -0.76 3.16 3.20 -0.35 -2.84 116.97 117.56 2d89 h TYR 104 Ca 0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2d89 h TYR 104 Cb 0.48 0.53 -0.12 0.00 1.54 0.00 0.00 36.73 39.16 2d89 h TYR 104 CO -0.18 -0.60 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.19 2d89 h LEU 105 N -0.85 -1.70 -1.34 2.82 3.38 -1.30 0.52 115.31 116.85 2d89 h LEU 105 Ca -0.03 0.28 0.43 0.00 0.09 0.00 0.00 57.88 58.66 2d89 h LEU 105 Cb 0.78 0.78 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 2d89 h LEU 105 CO -0.15 -0.30 0.90 -1.22 0.09 0.00 0.00 178.44 177.76 2d89 n TYR 106 N -5.38 0.40 0.25 1.13 4.01 -0.80 0.78 117.16 117.56 2d89 n TYR 106 Ca 0.03 0.40 -0.14 0.00 -0.16 0.00 0.00 57.90 58.03 2d89 n TYR 106 Cb 0.34 -0.82 -0.08 0.00 -0.31 0.00 0.00 39.34 38.46 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 -0.62 0.58 -0.72 1.08 0.04 -1.56 115.11 113.91 2d89 h GLN 107 Ca 0.77 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.98 2d89 h GLN 107 Cb 2.68 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 30.24 2d89 h GLN 107 CO -0.27 -0.32 -0.38 0.82 -0.95 0.00 0.00 178.83 177.74 2d89 h ILE 108 N -0.93 0.00 -1.09 2.54 5.03 0.36 0.63 117.51 124.05 2d89 h ILE 108 Ca -0.07 0.00 0.30 0.00 -0.12 0.00 0.00 64.86 64.97 2d89 h ILE 108 Cb 0.59 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.28 2d89 h ILE 108 CO 0.11 0.00 0.70 -0.09 -0.68 0.00 0.00 178.15 178.19 2d89 h ARG 109 N -0.91 0.32 -0.03 2.37 2.43 -1.45 0.73 114.38 117.83 2d89 h ARG 109 Ca -0.08 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 2d89 h ARG 109 Cb 0.73 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2d89 h ARG 109 CO 0.07 0.21 -0.67 0.00 -1.51 0.00 0.00 179.97 178.06 2d89 h ALA 110 N 1.61 0.81 -0.06 2.80 0.00 -0.81 0.37 119.26 123.98 2d89 h ALA 110 Ca 0.63 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2d89 h ALA 110 Cb 1.70 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2d89 h ALA 110 CO -0.30 0.80 -0.01 1.25 0.00 0.00 0.00 179.25 180.98 2d89 h HIS 111 N 0.10 0.13 0.19 0.00 -0.00 0.28 -3.04 115.15 112.80 2d89 h HIS 111 Ca -0.01 -0.03 -0.26 0.00 -0.00 0.00 0.00 60.37 60.07 2d89 h HIS 111 Cb 1.20 -0.03 0.03 0.00 -0.00 0.00 0.00 27.41 28.61 2d89 h HIS 111 CO 0.02 0.45 -1.12 0.74 -0.00 0.00 0.00 177.93 178.01 2d89 h PHE 112 N -0.23 0.77 -3.27 5.26 -1.00 -1.35 -3.43 116.94 113.69 2d89 h PHE 112 Ca 0.01 -0.55 -0.58 0.00 2.81 0.00 0.00 57.97 59.66 2d89 h PHE 112 Cb 0.41 -0.03 -0.40 0.00 3.61 0.00 0.00 35.95 39.53 2d89 h PHE 112 CO 0.05 1.43 -0.76 0.45 -1.61 0.00 0.00 178.31 177.87 2d89 s SER 113 N -7.26 3.87 -0.11 2.17 0.15 0.13 -5.10 113.70 107.54 2d89 s SER 113 Ca -0.11 -1.48 -0.06 0.00 0.70 0.00 0.00 55.95 55.00 2d89 s SER 113 Cb 0.03 -0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 2d89 s SER 113 CO 0.89 -0.37 0.13 -0.94 1.20 0.00 0.00 173.24 174.15 2d89 s SER 114 N 1.58 6.30 0.53 5.45 1.04 -1.15 -3.60 113.70 123.84 2d89 s SER 114 Ca 0.06 0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.98 2d89 s SER 114 Cb -0.18 -2.02 0.05 0.00 0.10 0.00 0.00 66.02 63.98 2d89 s SER 114 CO -0.19 0.39 0.45 0.61 0.98 0.00 0.00 173.24 175.48 2d89 n GLY 115 N 1.89 2.64 3.56 7.32 0.00 -1.26 -5.04 105.19 114.30 2d89 n GLY 115 Ca -0.19 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.16 2d89 n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d89 s PRO 116 N -4.20 2.71 0.39 1.61 0.04 -1.26 -4.95 135.00 129.34 2d89 s PRO 116 Ca 0.34 0.69 0.04 0.00 0.04 0.00 0.00 61.00 62.10 2d89 s PRO 116 Cb -0.03 -4.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 2d89 s PRO 116 CO 0.21 -2.63 0.12 -1.12 0.04 0.00 0.00 177.00 173.62 2d89 s SER 117 N 7.85 2.67 -0.01 6.66 0.01 -1.26 -4.81 113.70 124.81 2d89 s SER 117 Ca 0.68 -1.62 -0.25 0.00 1.31 0.00 0.00 55.95 56.07 2d89 s SER 117 Cb -0.13 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.56 2d89 s SER 117 CO 0.22 -0.88 0.57 -0.55 0.41 0.00 0.00 173.24 173.01 2d89 s SER 118 N -3.58 -0.51 0.00 2.44 0.15 -1.26 -5.26 113.70 105.68 2d89 s SER 118 Ca 0.26 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2d89 s SER 118 Cb 0.04 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2d89 s SER 118 CO 0.15 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.57