#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 6.09 -0.21 1.61 0.15 -1.26 -5.06 113.70 115.01 2d89 s SER 2 Ca 0.00 1.65 -0.03 0.00 0.70 0.00 0.00 55.95 58.28 2d89 s SER 2 Cb 0.00 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.87 2d89 s SER 2 CO 0.00 -0.96 0.05 -0.44 1.20 0.00 0.00 173.24 173.09 2d89 s SER 3 N -3.19 3.05 -0.20 5.45 0.01 -1.26 -5.12 113.70 112.45 2d89 s SER 3 Ca 0.60 -0.94 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 2d89 s SER 3 Cb -0.13 -0.60 0.06 0.00 0.21 0.00 0.00 66.02 65.56 2d89 s SER 3 CO 0.39 -0.33 0.54 -0.83 0.41 0.00 0.00 173.24 173.42 2d89 s GLY 4 N 1.86 -0.41 -0.32 3.44 0.00 -1.26 -5.14 107.32 105.48 2d89 s GLY 4 Ca 0.01 1.59 -0.08 0.00 0.00 0.00 0.00 44.72 46.24 2d89 s GLY 4 CO -0.12 1.43 0.12 -0.56 0.00 0.00 0.00 173.10 173.97 2d89 s SER 5 N 0.51 5.32 -0.20 1.64 0.01 -1.26 -4.96 113.70 114.76 2d89 s SER 5 Ca -0.02 -0.87 -0.18 0.00 1.31 0.00 0.00 55.95 56.19 2d89 s SER 5 Cb -0.04 -1.91 -0.14 0.00 0.21 0.00 0.00 66.02 64.13 2d89 s SER 5 CO -0.02 -0.27 0.05 -1.20 0.41 0.00 0.00 173.24 172.21 2d89 n SER 6 N 4.88 1.86 0.00 2.44 7.64 -1.26 -5.12 113.62 124.06 2d89 n SER 6 Ca -0.13 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2d89 n SER 6 Cb 0.47 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2d89 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d89 n GLY 7 N 1.46 3.64 3.56 0.23 0.00 -1.26 -5.01 105.19 107.82 2d89 n GLY 7 Ca -0.27 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 2d89 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d89 s PRO 8 N -3.18 2.76 0.48 1.61 0.04 -1.26 -4.95 135.00 130.50 2d89 s PRO 8 Ca 0.00 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 61.70 2d89 s PRO 8 Cb 0.00 -4.35 0.11 0.00 0.04 0.00 0.00 34.50 30.30 2d89 s PRO 8 CO 0.00 -2.57 0.66 -1.71 0.04 0.00 0.00 177.00 173.41 2d89 n ASN 9 N 12.27 0.12 -0.05 6.66 5.15 -1.26 -5.02 115.26 133.12 2d89 n ASN 9 Ca 0.21 -1.28 -0.03 0.00 -0.60 0.00 0.00 54.58 52.87 2d89 n ASN 9 Cb 0.51 -0.50 -0.01 0.00 -0.53 0.00 0.00 39.78 39.26 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d89 h ALA 10 N -1.75 0.00 -1.48 5.20 0.00 -1.97 -3.41 119.26 115.85 2d89 h ALA 10 Ca -0.21 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2d89 h ALA 10 Cb 0.60 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2d89 h ALA 10 CO 0.16 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 2d89 n SER 11 N -4.13 0.00 -0.67 0.00 3.41 -1.26 -4.48 113.62 106.49 2d89 n SER 11 Ca -0.05 0.02 0.50 0.00 -0.26 0.00 0.00 58.87 59.08 2d89 n SER 11 Cb 0.19 -0.25 0.77 0.00 -0.26 0.00 0.00 64.21 64.66 2d89 n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d89 n GLN 12 N -1.96 -0.00 -0.21 4.33 10.64 -1.26 0.11 117.38 129.03 2d89 n GLN 12 Ca 0.00 1.02 -0.01 0.00 -1.83 0.00 0.00 57.00 56.19 2d89 n GLN 12 Cb 0.00 -2.35 0.06 0.00 -0.86 0.00 0.00 30.24 27.09 2d89 n GLN 12 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2d89 h SER 13 N 0.00 -0.61 0.69 2.61 0.87 -1.79 0.53 113.55 115.84 2d89 h SER 13 Ca 0.89 0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 61.60 2d89 h SER 13 Cb 3.54 0.40 0.01 0.00 -0.44 0.00 0.00 62.40 65.91 2d89 h SER 13 CO -0.02 -0.21 -0.33 0.25 -0.53 0.00 0.00 176.83 175.98 2d89 h LEU 14 N -0.01 -0.78 -1.90 2.23 5.85 -0.58 0.43 115.31 120.55 2d89 h LEU 14 Ca 0.30 0.01 0.19 0.00 0.84 0.00 0.00 57.88 59.22 2d89 h LEU 14 Cb 0.47 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2d89 h LEU 14 CO -0.65 -0.41 0.60 0.25 -0.34 0.00 0.00 178.44 177.88 2d89 h LEU 15 N -1.20 0.00 0.14 2.25 5.85 -1.51 0.13 115.31 120.98 2d89 h LEU 15 Ca -0.09 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.28 2d89 h LEU 15 Cb 0.73 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2d89 h LEU 15 CO 0.16 0.00 -1.78 0.58 -0.34 0.00 0.00 178.44 177.05 2d89 h VAL 16 N 0.00 0.88 -0.45 1.05 2.07 0.25 -3.06 116.25 116.99 2d89 h VAL 16 Ca 0.31 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2d89 h VAL 16 Cb 1.51 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 2d89 h VAL 16 CO -0.00 0.84 0.29 -0.25 0.02 0.00 0.00 177.57 178.47 2d89 h TRP 17 N 0.08 0.58 -0.29 1.57 7.01 0.25 0.19 115.95 125.34 2d89 h TRP 17 Ca -0.35 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.55 2d89 h TRP 17 Cb 2.06 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.92 2d89 h TRP 17 CO 0.08 0.38 -0.25 0.00 -2.79 0.00 0.00 178.44 175.86 2d89 h LYS 19 N 0.42 0.00 0.20 0.00 1.57 -1.40 -1.70 116.57 115.66 2d89 h LYS 19 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2d89 h LYS 19 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2d89 h LYS 19 CO 0.06 0.05 -0.10 1.49 -0.57 0.00 0.00 179.45 180.39 2d89 h GLU 20 N 0.00 -0.26 0.00 3.15 4.81 -0.40 -2.75 114.58 119.13 2d89 h GLU 20 Ca -0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2d89 h GLU 20 Cb 0.44 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2d89 h GLU 20 CO 0.01 0.11 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.85 2d89 h VAL 21 N -0.92 0.52 -0.89 0.32 -1.51 -1.47 -2.60 116.25 109.70 2d89 h VAL 21 Ca -0.03 -0.77 -0.49 0.00 -1.23 0.00 0.00 66.70 64.19 2d89 h VAL 21 Cb 0.49 1.52 -0.28 0.00 -2.13 0.00 0.00 31.29 30.90 2d89 h VAL 21 CO 0.05 0.15 0.54 0.35 -1.23 0.00 0.00 177.57 177.43 2d89 n THR 22 N -3.49 3.15 0.10 7.19 -2.24 -0.65 -4.48 114.28 113.86 2d89 n THR 22 Ca -0.01 -2.24 -0.20 0.00 -2.27 0.00 0.00 64.05 59.34 2d89 n THR 22 Cb 0.32 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 67.88 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 1.15 0.51 -0.95 -0.78 1.57 -1.14 -3.29 116.57 113.64 2d89 h LYS 23 Ca 0.56 -0.71 -0.64 0.00 -1.87 0.00 0.00 60.65 58.00 2d89 h LYS 23 Cb 2.39 0.24 -0.31 0.00 0.08 0.00 0.00 32.23 34.63 2d89 h LYS 23 CO 1.05 1.31 0.61 0.09 -0.57 0.00 0.00 179.45 181.94 2d89 n ASN 24 N -3.73 6.86 -4.91 0.86 3.02 -1.26 -4.97 115.26 111.13 2d89 n ASN 24 Ca -0.12 -3.77 -0.26 0.00 -0.03 0.00 0.00 54.58 50.40 2d89 n ASN 24 Cb 0.98 -0.87 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2d89 n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2d89 s TYR 25 N -3.74 1.56 -0.22 3.10 1.51 -1.24 -5.12 117.35 113.20 2d89 s TYR 25 Ca 0.62 -0.85 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2d89 s TYR 25 Cb 0.49 -1.92 0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2d89 s TYR 25 CO 0.01 -0.54 -0.13 0.50 -1.11 0.00 0.00 175.55 174.28 2d89 s ARG 26 N -4.31 2.35 0.00 -0.62 3.52 -1.26 -4.73 118.95 113.90 2d89 s ARG 26 Ca 0.35 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 2d89 s ARG 26 Cb -0.02 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 2d89 s ARG 26 CO 0.22 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 2d89 n GLY 27 N 4.56 0.59 2.69 8.12 0.00 -1.26 -5.05 105.19 114.84 2d89 n GLY 27 Ca -0.16 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.97 1.20 -0.56 1.61 1.01 -1.26 -4.95 120.40 114.48 2d89 s VAL 28 Ca 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 61.98 59.75 2d89 s VAL 28 Cb 0.00 -1.85 0.14 0.00 0.00 0.00 0.00 36.38 34.67 2d89 s VAL 28 CO 0.00 -0.87 0.32 -0.75 0.00 0.00 0.00 175.10 173.80 2d89 s LYS 29 N 0.64 2.05 -1.14 2.72 2.20 -1.26 -4.97 119.74 119.98 2d89 s LYS 29 Ca 0.16 -2.76 -0.22 0.00 -0.36 0.00 0.00 55.97 52.79 2d89 s LYS 29 Cb -0.23 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 2d89 s LYS 29 CO -0.04 -1.16 1.88 0.42 -0.36 0.00 0.00 175.35 176.10 2d89 s ILE 30 N -0.54 3.63 -0.09 5.43 1.09 -1.26 -4.64 121.20 124.82 2d89 s ILE 30 Ca 0.19 -0.96 0.15 0.00 -1.10 0.00 0.00 60.65 58.93 2d89 s ILE 30 Cb -0.20 -4.59 -0.18 0.00 -1.06 0.00 0.00 42.46 36.43 2d89 s ILE 30 CO -0.04 -1.19 0.73 1.07 -0.10 0.00 0.00 174.94 175.40 2d89 n THR 31 N 7.56 1.34 -4.24 2.92 5.66 -1.26 -4.99 114.28 121.26 2d89 n THR 31 Ca 0.44 -0.74 -0.18 0.00 -3.05 0.00 0.00 64.05 60.53 2d89 n THR 31 Cb 0.47 -0.83 -0.08 0.00 -1.55 0.00 0.00 70.33 68.34 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 -5.86 1.36 -0.26 1.09 0.01 -1.26 -5.06 114.94 104.95 2d89 s ASN 32 Ca -0.04 -1.67 0.09 0.00 -0.71 0.00 0.00 52.86 50.53 2d89 s ASN 32 Cb 0.08 0.55 0.45 0.00 0.41 0.00 0.00 41.25 42.74 2d89 s ASN 32 CO 0.82 -1.06 1.29 0.49 -1.51 0.00 0.00 177.10 177.12 2d89 n PHE 33 N -0.56 0.95 0.00 2.20 3.72 -1.26 -4.48 117.46 118.02 2d89 n PHE 33 Ca 0.06 -1.73 0.00 0.00 -0.05 0.00 0.00 57.45 55.73 2d89 n PHE 33 Cb 0.63 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 -1.02 0.00 -0.05 4.37 -2.24 -1.26 -4.30 114.28 109.77 2d89 n THR 34 Ca 0.29 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.93 2d89 n THR 34 Cb 0.83 -0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 68.43 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 1.67 -1.41 4.28 1.35 -1.93 -0.99 112.91 115.88 2d89 h THR 35 Ca 0.00 -2.03 0.46 0.00 -0.55 0.00 0.00 66.41 64.29 2d89 h THR 35 Cb 0.00 3.04 -0.11 0.00 -1.73 0.00 0.00 68.15 69.34 2d89 h THR 35 CO 0.00 0.52 0.94 -1.20 -0.25 0.00 0.00 175.52 175.53 2d89 n SER 36 N -4.67 0.15 -0.07 5.36 7.64 -1.26 0.17 113.62 120.93 2d89 n SER 36 Ca -0.09 1.19 -0.03 0.00 1.01 0.00 0.00 58.87 60.94 2d89 n SER 36 Cb 0.42 -0.58 -0.16 0.00 -1.01 0.00 0.00 64.21 62.88 2d89 n SER 36 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2d89 n TRP 37 N -4.35 0.00 -0.28 1.43 7.02 -1.24 -4.50 117.44 115.52 2d89 n TRP 37 Ca 0.38 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.95 2d89 n TRP 37 Cb 1.55 -0.79 0.18 0.00 -2.42 0.00 0.00 31.31 29.82 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 -2.55 -0.07 0.14 -0.99 0.63 0.44 0.40 116.66 114.67 2d89 n ARG 38 Ca -0.22 1.19 -0.13 0.00 -0.92 0.00 0.00 57.85 57.77 2d89 n ARG 38 Cb 0.93 -1.84 -0.08 0.00 0.45 0.00 0.00 32.46 31.92 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 -0.31 0.00 6.15 7.08 -1.78 -3.46 115.58 123.27 2d89 h ASN 39 Ca 0.43 -0.17 0.00 0.00 -3.08 0.00 0.00 56.30 53.47 2d89 h ASN 39 Cb 0.79 0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.11 2d89 h ASN 39 CO -0.77 0.02 0.00 0.61 -2.08 0.00 0.00 177.43 175.21 2d89 n GLY 40 N -0.42 1.32 0.06 9.14 0.00 0.16 -3.65 105.19 111.80 2d89 n GLY 40 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.22 0.99 3.38 -1.79 -3.31 115.31 113.36 2d89 h LEU 41 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2d89 h LEU 41 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2d89 h LEU 41 CO 0.00 0.63 0.60 0.28 0.09 0.00 0.00 178.44 180.04 2d89 h SER 42 N -0.91 0.68 -0.53 -0.43 0.02 -1.92 0.23 113.55 110.69 2d89 h SER 42 Ca 0.00 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2d89 h SER 42 Cb 0.35 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2d89 h SER 42 CO 0.00 0.30 0.29 -0.26 -1.14 0.00 0.00 176.83 176.02 2d89 h PHE 43 N 0.69 0.53 0.00 3.45 0.04 -1.93 0.59 116.94 120.32 2d89 h PHE 43 Ca 0.50 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 61.07 2d89 h PHE 43 Cb 0.85 -0.16 0.02 0.00 2.20 0.00 0.00 35.95 38.85 2d89 h PHE 43 CO -0.00 0.28 -0.86 0.00 -0.60 0.00 0.00 178.31 177.13 2d89 h ALA 45 N 0.36 -1.20 -0.81 0.00 0.00 -0.38 -0.78 119.26 116.44 2d89 h ALA 45 Ca -0.11 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.70 2d89 h ALA 45 Cb 1.54 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 19.82 2d89 h ALA 45 CO 0.17 -1.20 -0.39 0.82 0.00 0.00 0.00 179.25 178.65 2d89 h ILE 46 N -1.13 0.06 -0.75 0.00 2.04 -1.02 0.64 117.51 117.36 2d89 h ILE 46 Ca -0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2d89 h ILE 46 Cb 0.93 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2d89 h ILE 46 CO 0.06 0.00 0.49 0.25 0.00 0.00 0.00 178.15 178.95 2d89 h LEU 47 N -0.08 0.80 -1.30 1.44 5.85 -1.55 -1.10 115.31 119.36 2d89 h LEU 47 Ca 0.28 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 2d89 h LEU 47 Cb 0.57 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2d89 h LEU 47 CO -0.85 0.55 -0.29 -0.74 -0.34 0.00 0.00 178.44 176.77 2d89 h HIS 48 N 0.93 0.10 -0.57 1.25 2.76 0.17 -2.55 115.15 117.23 2d89 h HIS 48 Ca 0.29 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.51 2d89 h HIS 48 Cb 0.03 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 2d89 h HIS 48 CO -0.00 0.38 0.27 1.25 -1.30 0.00 0.00 177.93 178.53 2d89 h HIS 49 N 0.08 0.49 0.04 5.26 -0.00 0.57 -2.31 115.15 119.29 2d89 h HIS 49 Ca 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2d89 h HIS 49 Cb 0.56 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2d89 h HIS 49 CO 0.00 0.21 -0.02 0.74 -0.00 0.00 0.00 177.93 178.86 2d89 h PHE 50 N 0.51 -0.05 -2.97 5.26 -1.00 -1.53 -3.43 116.94 113.73 2d89 h PHE 50 Ca 0.27 -0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.54 2d89 h PHE 50 Cb 0.23 0.02 -0.40 0.00 3.61 0.00 0.00 35.95 39.40 2d89 h PHE 50 CO -0.12 0.54 -0.76 1.03 -1.61 0.00 0.00 178.31 177.39 2d89 s ARG 51 N -3.56 0.21 0.00 1.51 1.81 -0.98 -4.99 118.95 112.96 2d89 s ARG 51 Ca -0.16 -0.37 0.13 0.00 -1.72 0.00 0.00 55.73 53.61 2d89 s ARG 51 Cb 0.00 -1.58 0.75 0.00 -0.45 0.00 0.00 34.95 33.68 2d89 s ARG 51 CO 0.62 -0.84 1.18 -0.35 -0.68 0.00 0.00 175.30 175.24 2d89 n PRO 52 N 5.22 0.49 -1.40 3.54 -0.04 -0.88 -2.87 135.00 139.05 2d89 n PRO 52 Ca -0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.15 2d89 n PRO 52 Cb 0.45 -1.40 0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2d89 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2d89 n ASP 53 N -0.90 5.41 0.00 3.54 -0.08 -1.26 -4.47 116.55 118.79 2d89 n ASP 53 Ca 0.09 -3.76 0.00 0.00 -1.51 0.00 0.00 54.79 49.62 2d89 n ASP 53 Cb 0.04 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 42.78 2d89 n ASP 53 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2d89 n LEU 54 N -0.93 1.65 -4.68 -2.67 4.77 -1.14 -5.10 117.00 108.90 2d89 n LEU 54 Ca 0.52 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 56.22 2d89 n LEU 54 Cb 0.95 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.94 2d89 n LEU 54 CO 0.55 0.25 -0.24 -0.63 -1.33 0.00 0.00 177.39 175.98 2d89 s ILE 55 N -1.71 2.00 -0.29 -0.08 1.09 -1.26 -4.97 121.20 115.98 2d89 s ILE 55 Ca 0.00 -1.90 0.11 0.00 -1.10 0.00 0.00 60.65 57.76 2d89 s ILE 55 Cb 0.00 -2.90 0.62 0.00 -1.06 0.00 0.00 42.46 39.12 2d89 s ILE 55 CO 0.00 0.00 1.63 0.47 -0.10 0.00 0.00 174.94 176.94 2d89 n ASP 56 N -1.10 3.81 0.13 3.58 8.00 -1.26 -4.64 116.55 125.07 2d89 n ASP 56 Ca -0.05 -3.37 0.19 0.00 0.71 0.00 0.00 54.79 52.27 2d89 n ASP 56 Cb 0.66 -0.68 0.68 0.00 -0.02 0.00 0.00 41.12 41.77 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2d89 h TYR 57 N 1.79 0.00 -0.24 1.24 5.03 -1.94 0.28 116.97 123.13 2d89 h TYR 57 Ca 0.23 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.61 2d89 h TYR 57 Cb 1.98 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.25 2d89 h TYR 57 CO 1.05 0.00 0.19 1.57 -1.32 0.00 0.00 178.16 179.65 2d89 h LYS 58 N 0.00 0.00 -0.33 1.82 2.10 -1.95 -2.46 116.57 115.75 2d89 h LYS 58 Ca 0.17 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.56 2d89 h LYS 58 Cb 1.27 0.00 -0.33 0.00 -0.90 0.00 0.00 32.23 32.27 2d89 h LYS 58 CO -0.00 0.00 -0.91 0.45 -2.00 0.00 0.00 179.45 176.99 2d89 n SER 59 N -4.28 2.31 -4.45 7.07 2.88 0.96 -5.08 113.62 113.03 2d89 n SER 59 Ca 0.03 -2.80 -0.17 0.00 -1.33 0.00 0.00 58.87 54.59 2d89 n SER 59 Cb 0.34 -0.41 0.07 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.46 0.00 -3.52 2.46 4.77 -0.93 -5.09 117.00 114.23 2d89 n LEU 60 Ca 0.18 -2.08 -0.08 0.00 -0.03 0.00 0.00 56.01 54.01 2d89 n LEU 60 Cb 0.91 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2d89 n LEU 60 CO 0.11 -0.74 0.71 0.20 -1.33 0.00 0.00 177.39 176.34 2d89 s ASN 61 N -4.19 -0.34 0.00 -1.43 0.02 -1.26 -5.01 114.94 102.72 2d89 s ASN 61 Ca 0.54 -0.01 0.09 0.00 -1.02 0.00 0.00 52.86 52.46 2d89 s ASN 61 Cb -0.04 0.37 0.54 0.00 0.02 0.00 0.00 41.25 42.14 2d89 s ASN 61 CO 0.34 -0.60 0.99 -0.81 0.02 0.00 0.00 177.10 177.04 2d89 n PRO 62 N -0.24 0.49 0.22 -0.60 -0.04 -1.26 -2.59 135.00 130.97 2d89 n PRO 62 Ca -0.08 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2d89 n PRO 62 Cb 0.62 -1.29 0.18 0.00 -0.04 0.00 0.00 33.50 32.96 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 -4.73 0.54 -0.00 -1.97 -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 -0.21 0.00 -0.00 0.00 0.00 27.48 27.27 2d89 h GLN 63 CO 0.00 0.05 -0.52 -0.51 -0.00 0.00 0.00 178.83 177.85 2d89 s ASP 64 N -6.21 5.81 -0.26 0.06 1.01 -1.07 -4.94 116.67 111.07 2d89 s ASP 64 Ca 0.06 -0.52 -0.09 0.00 0.71 0.00 0.00 52.55 52.72 2d89 s ASP 64 Cb 0.05 -2.07 -0.13 0.00 1.01 0.00 0.00 42.92 41.79 2d89 s ASP 64 CO 0.67 -0.23 -0.30 -0.38 0.21 0.00 0.00 175.17 175.14 2d89 n ILE 65 N 5.04 1.44 -0.01 0.77 5.41 -1.26 -3.89 119.36 126.87 2d89 n ILE 65 Ca -0.13 -0.42 -0.17 0.00 1.00 0.00 0.00 62.75 63.03 2d89 n ILE 65 Cb 0.49 -1.71 -0.11 0.00 -0.71 0.00 0.00 39.64 37.61 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 -0.65 0.36 0.38 0.38 3.64 -1.79 -3.20 116.57 115.69 2d89 h LYS 66 Ca -0.64 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 58.36 2d89 h LYS 66 Cb 1.67 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 2d89 h LYS 66 CO -0.31 1.04 -0.18 1.49 -2.27 0.00 0.00 179.45 179.22 2d89 h GLU 67 N -0.18 -0.49 -0.77 1.90 4.81 -1.89 -1.60 114.58 116.35 2d89 h GLU 67 Ca -0.06 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2d89 h GLU 67 Cb 1.20 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.59 2d89 h GLU 67 CO 0.10 -0.33 -0.41 0.09 -0.73 0.00 0.00 179.01 177.73 2d89 n ASN 68 N -3.71 -0.72 0.05 1.04 4.13 -1.25 0.32 115.26 115.12 2d89 n ASN 68 Ca -0.06 1.37 -0.11 0.00 1.68 0.00 0.00 54.58 57.45 2d89 n ASN 68 Cb 0.20 -0.22 -0.05 0.00 -1.54 0.00 0.00 39.78 38.17 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 -0.32 -0.73 6.41 2.35 -1.61 -2.45 115.58 119.23 2d89 h ASN 69 Ca 0.17 0.05 0.15 0.00 -0.55 0.00 0.00 56.30 56.12 2d89 h ASN 69 Cb 0.36 0.14 -0.11 0.00 0.05 0.00 0.00 38.32 38.77 2d89 h ASN 69 CO -0.74 -0.16 0.19 0.50 -1.65 0.00 0.00 177.43 175.58 2d89 h LYS 70 N -0.19 0.29 -0.13 0.81 3.64 0.91 -2.14 116.57 119.76 2d89 h LYS 70 Ca 0.04 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2d89 h LYS 70 Cb 0.24 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 2d89 h LYS 70 CO -0.12 0.19 -0.50 0.87 -2.27 0.00 0.00 179.45 177.63 2d89 h LYS 71 N 0.29 -0.50 -0.02 1.90 1.57 -0.22 -1.94 116.57 117.66 2d89 h LYS 71 Ca 0.41 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2d89 h LYS 71 Cb 0.68 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2d89 h LYS 71 CO -0.49 -0.34 -0.08 0.00 -0.57 0.00 0.00 179.45 177.98 2d89 h ALA 72 N -0.40 -0.50 -0.71 3.86 0.00 -1.30 -1.60 119.26 118.61 2d89 h ALA 72 Ca 0.03 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.13 2d89 h ALA 72 Cb 0.61 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 2d89 h ALA 72 CO -0.40 -0.53 0.03 0.66 0.00 0.00 0.00 179.25 179.01 2d89 n TYR 73 N -3.00 0.47 -0.14 0.00 4.01 -1.02 0.23 117.16 117.72 2d89 n TYR 73 Ca -0.01 0.86 -0.06 0.00 -0.16 0.00 0.00 57.90 58.53 2d89 n TYR 73 Cb 0.06 -1.05 0.03 0.00 -0.31 0.00 0.00 39.34 38.07 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 0.31 0.13 7.72 1.82 -0.50 0.29 116.42 126.20 2d89 h ASP 74 Ca 0.44 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 57.10 2d89 h ASP 74 Cb 0.92 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2d89 h ASP 74 CO -0.67 0.23 -0.06 1.23 -1.61 0.00 0.00 179.24 178.36 2d89 h GLY 75 N 0.44 -0.18 -0.10 -0.78 0.00 0.34 -2.43 103.07 100.36 2d89 h GLY 75 Ca 0.19 0.07 0.19 0.00 0.00 0.00 0.00 47.33 47.78 2d89 h GLY 75 CO -0.13 -0.07 0.33 0.74 0.00 0.00 0.00 176.54 177.42 2d89 h PHE 76 N -0.97 0.55 -0.02 5.60 0.04 -0.42 0.34 116.94 122.06 2d89 h PHE 76 Ca -0.02 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 2d89 h PHE 76 Cb 0.43 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2d89 h PHE 76 CO 0.08 -0.02 -0.51 0.00 -0.60 0.00 0.00 178.31 177.25 2d89 h ALA 77 N 1.66 1.11 -0.75 2.45 0.00 -0.99 -2.43 119.26 120.30 2d89 h ALA 77 Ca 0.50 -0.47 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2d89 h ALA 77 Cb 0.89 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 2d89 h ALA 77 CO -0.50 0.65 -0.11 1.03 0.00 0.00 0.00 179.25 180.32 2d89 h SER 78 N 0.05 -0.56 -0.27 0.00 0.87 0.21 0.33 113.55 114.17 2d89 h SER 78 Ca -0.00 0.21 -0.17 0.00 -1.23 0.00 0.00 61.79 60.61 2d89 h SER 78 Cb 0.92 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2d89 h SER 78 CO 0.07 -0.23 -0.49 0.16 -0.53 0.00 0.00 176.83 175.82 2d89 h ILE 79 N 0.03 1.29 0.00 2.23 3.07 -1.55 -3.47 117.51 119.12 2d89 h ILE 79 Ca 0.38 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 65.11 2d89 h ILE 79 Cb 0.63 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 2d89 h ILE 79 CO -0.73 0.54 0.00 0.61 -1.05 0.00 0.00 178.15 177.52 2d89 n GLY 80 N 0.37 0.00 3.27 0.16 0.00 0.10 -5.12 105.19 103.97 2d89 n GLY 80 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 4.69 0.62 -0.61 1.01 -0.92 -4.97 121.20 121.02 2d89 s ILE 81 Ca 0.00 -1.60 -0.17 0.00 0.00 0.00 0.00 60.65 58.88 2d89 s ILE 81 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 2d89 s ILE 81 CO 0.00 -0.79 0.26 -1.54 0.00 0.00 0.00 174.94 172.88 2d89 n SER 82 N 5.07 -2.12 -4.39 3.58 3.41 -1.26 -3.61 113.62 114.30 2d89 n SER 82 Ca -0.11 0.64 -0.45 0.00 -0.26 0.00 0.00 58.87 58.70 2d89 n SER 82 Cb 0.41 -1.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.23 2d89 n SER 82 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2d89 s ARG 83 N -1.95 3.04 -0.11 4.33 3.00 -1.26 -4.90 118.95 121.09 2d89 s ARG 83 Ca 0.63 -1.28 -0.18 0.00 0.00 0.00 0.00 55.73 54.90 2d89 s ARG 83 Cb -0.42 -4.18 -0.27 0.00 0.00 0.00 0.00 34.95 30.08 2d89 s ARG 83 CO 0.60 -1.25 0.57 -0.07 0.00 0.00 0.00 175.30 175.15 2d89 h LEU 84 N 9.32 0.32 -9.84 2.53 4.07 -1.97 -3.47 115.31 116.27 2d89 h LEU 84 Ca -0.29 -0.84 -0.61 0.00 0.08 0.00 0.00 57.88 56.22 2d89 h LEU 84 Cb 1.10 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.68 2d89 h LEU 84 CO 0.98 1.54 -0.53 -0.22 -1.08 0.00 0.00 178.44 179.13 2d89 s LEU 85 N -7.66 4.14 0.10 1.67 2.96 -1.26 -5.11 118.68 113.52 2d89 s LEU 85 Ca -0.20 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 2d89 s LEU 85 Cb 0.04 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 2d89 s LEU 85 CO 0.75 0.14 -0.01 -1.61 -1.32 0.00 0.00 176.35 174.30 2d89 s GLU 86 N -2.64 2.50 -0.02 1.98 0.41 -1.26 -5.05 118.70 114.62 2d89 s GLU 86 Ca 0.33 -0.88 -0.25 0.00 -0.41 0.00 0.00 54.97 53.76 2d89 s GLU 86 Cb -0.12 -2.51 -0.19 0.00 -1.78 0.00 0.00 34.13 29.53 2d89 s GLU 86 CO 0.26 0.53 1.22 -1.00 -0.49 0.00 0.00 175.26 175.78 2d89 h PRO 87 N 3.38 -0.06 -0.40 0.39 0.13 -1.91 -3.27 132.00 130.25 2d89 h PRO 87 Ca -0.48 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.71 2d89 h PRO 87 Cb 1.17 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2d89 h PRO 87 CO 0.59 0.40 0.13 0.66 -0.23 0.00 0.00 178.00 179.55 2d89 h SER 88 N -0.55 0.12 -0.85 1.44 4.64 -1.89 -2.60 113.55 113.87 2d89 h SER 88 Ca -0.01 0.05 0.14 0.00 -0.47 0.00 0.00 61.79 61.51 2d89 h SER 88 Cb 0.49 0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 62.48 2d89 h SER 88 CO 0.01 0.10 -0.34 0.44 -0.87 0.00 0.00 176.83 176.18 2d89 h ASP 89 N 0.28 -1.22 -0.93 4.97 3.32 -1.99 0.63 116.42 121.49 2d89 h ASP 89 Ca 0.19 0.28 0.22 0.00 0.02 0.00 0.00 57.03 57.73 2d89 h ASP 89 Cb 0.18 0.66 -0.12 0.00 0.22 0.00 0.00 39.33 40.27 2d89 h ASP 89 CO -0.20 -0.29 0.48 0.24 -1.72 0.00 0.00 179.24 177.74 2d89 h MET 90 N -0.05 0.49 -0.08 3.56 2.86 -1.52 -0.73 114.93 119.46 2d89 h MET 90 Ca 0.33 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 2d89 h MET 90 Cb 0.59 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2d89 h MET 90 CO -0.88 0.33 -0.12 0.28 1.06 0.00 0.00 176.91 177.58 2d89 h VAL 91 N 0.51 1.39 -0.07 -2.22 2.07 0.14 -3.31 116.25 114.75 2d89 h VAL 91 Ca 0.58 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2d89 h VAL 91 Cb 1.05 2.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 2d89 h VAL 91 CO -0.48 0.38 -0.51 -0.07 0.02 0.00 0.00 177.57 176.90 2d89 h LEU 92 N -0.23 -1.61-10.49 2.57 3.38 0.46 -3.42 115.31 105.97 2d89 h LEU 92 Ca 0.01 0.19 -0.46 0.00 0.09 0.00 0.00 57.88 57.71 2d89 h LEU 92 Cb 0.67 0.62 0.06 0.00 0.09 0.00 0.00 40.66 42.10 2d89 h LEU 92 CO 0.03 -0.49 0.11 -1.48 0.09 0.00 0.00 178.44 176.69 2d89 s LEU 93 N -10.29 3.13 -0.08 1.67 0.05 -0.58 -5.06 118.68 107.53 2d89 s LEU 93 Ca -0.16 0.36 -0.01 0.00 0.05 0.00 0.00 54.13 54.38 2d89 s LEU 93 Cb 0.07 -3.15 -0.00 0.00 -2.05 0.00 0.00 46.19 41.06 2d89 s LEU 93 CO 0.62 -1.25 -0.02 0.00 -0.55 0.00 0.00 176.35 175.15 2d89 h ALA 94 N -0.20 0.00 -3.26 1.48 0.00 -1.82 -3.45 119.26 112.01 2d89 h ALA 94 Ca -0.44 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 2d89 h ALA 94 Cb 1.29 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.83 2d89 h ALA 94 CO 0.58 0.05 -0.81 0.42 0.00 0.00 0.00 179.25 179.49 2d89 s ILE 95 N -1.51 2.67 1.18 0.00 -1.09 -1.26 -4.98 121.20 116.20 2d89 s ILE 95 Ca -0.01 -0.78 -0.18 0.00 -2.23 0.00 0.00 60.65 57.44 2d89 s ILE 95 Cb 0.00 -2.11 0.27 0.00 -1.58 0.00 0.00 42.46 39.05 2d89 s ILE 95 CO 0.02 0.53 1.11 -2.16 -1.23 0.00 0.00 174.94 173.21 2d89 s PRO 96 N 0.58 -1.02 -0.61 2.79 0.04 -1.26 -4.97 135.00 130.55 2d89 s PRO 96 Ca -0.10 0.01 -0.22 0.00 0.04 0.00 0.00 61.00 60.74 2d89 s PRO 96 Cb -0.16 -1.61 0.07 0.00 0.04 0.00 0.00 34.50 32.84 2d89 s PRO 96 CO 0.03 -3.59 0.88 -0.51 0.04 0.00 0.00 177.00 173.85 2d89 s ASP 97 N -3.83 6.21 0.22 6.66 1.01 -1.26 -4.91 116.67 120.76 2d89 s ASP 97 Ca 0.70 -0.96 -0.15 0.00 0.71 0.00 0.00 52.55 52.86 2d89 s ASP 97 Cb -0.11 -2.39 0.25 0.00 1.01 0.00 0.00 42.92 41.68 2d89 s ASP 97 CO 0.56 -1.29 1.41 1.17 0.21 0.00 0.00 175.17 177.24 2d89 n LYS 98 N 7.25 -0.19 -0.21 8.23 4.81 -1.26 0.10 118.16 136.89 2d89 n LYS 98 Ca -0.04 1.40 0.01 0.00 -0.87 0.00 0.00 58.31 58.81 2d89 n LYS 98 Cb 0.45 -2.08 0.12 0.00 0.02 0.00 0.00 35.03 33.54 2d89 n LYS 98 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2d89 h LEU 99 N 0.00 0.18 0.91 3.14 3.38 -1.91 -0.57 115.31 120.44 2d89 h LEU 99 Ca 0.33 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 2d89 h LEU 99 Cb 0.56 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2d89 h LEU 99 CO -0.91 0.10 -0.49 0.74 0.09 0.00 0.00 178.44 177.98 2d89 h THR 100 N 0.38 0.01 0.01 0.22 2.02 0.30 -2.11 112.91 113.75 2d89 h THR 100 Ca 0.33 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.52 2d89 h THR 100 Cb 0.44 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 2d89 h THR 100 CO -0.34 0.00 -0.37 0.58 0.37 0.00 0.00 175.52 175.75 2d89 h VAL 101 N -1.29 0.00 -0.96 3.16 2.07 -0.89 -1.71 116.25 116.63 2d89 h VAL 101 Ca -0.12 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.64 2d89 h VAL 101 Cb 1.01 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.60 2d89 h VAL 101 CO 0.17 0.00 -0.03 0.24 0.02 0.00 0.00 177.57 177.98 2d89 h MET 102 N -0.48 0.02 -0.43 1.57 2.07 -1.15 0.52 114.93 117.06 2d89 h MET 102 Ca 0.01 -0.00 0.07 0.00 -2.07 0.00 0.00 59.70 57.70 2d89 h MET 102 Cb 0.51 -0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.18 2d89 h MET 102 CO -0.24 0.01 0.10 1.15 1.07 0.00 0.00 176.91 179.00 2d89 h THR 103 N 0.02 0.79 -0.04 2.22 2.02 -0.61 -0.83 112.91 116.48 2d89 h THR 103 Ca 0.55 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 2d89 h THR 103 Cb 1.07 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2d89 h THR 103 CO -0.91 0.04 0.02 0.22 0.37 0.00 0.00 175.52 175.26 2d89 h TYR 104 N 0.24 0.06 0.21 3.16 3.20 0.57 -3.22 116.97 121.20 2d89 h TYR 104 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2d89 h TYR 104 Cb 0.25 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 2d89 h TYR 104 CO -0.19 0.20 -0.49 -0.07 -1.64 0.00 0.00 178.16 175.96 2d89 h LEU 105 N -0.09 -1.46 -0.74 2.82 3.38 -0.67 -1.91 115.31 116.64 2d89 h LEU 105 Ca 0.01 0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.35 2d89 h LEU 105 Cb 0.16 0.52 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 2d89 h LEU 105 CO -0.00 -0.55 0.09 -1.22 0.09 0.00 0.00 178.44 176.84 2d89 n TYR 106 N -5.31 0.54 0.04 1.13 4.01 -0.35 0.95 117.16 118.18 2d89 n TYR 106 Ca -0.09 0.88 -0.12 0.00 -0.16 0.00 0.00 57.90 58.42 2d89 n TYR 106 Cb 0.40 -1.10 -0.05 0.00 -0.31 0.00 0.00 39.34 38.28 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 -0.43 0.62 -0.72 1.08 -1.35 0.56 115.11 114.86 2d89 h GLN 107 Ca 0.48 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.68 2d89 h GLN 107 Cb 1.06 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 2d89 h GLN 107 CO -0.67 -0.29 -0.32 0.82 -0.95 0.00 0.00 178.83 177.42 2d89 h ILE 108 N -0.45 0.35 -0.77 2.54 5.03 0.60 0.37 117.51 125.17 2d89 h ILE 108 Ca 0.07 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.96 2d89 h ILE 108 Cb 0.56 0.35 -0.05 0.00 -3.03 0.00 0.00 36.82 34.64 2d89 h ILE 108 CO -0.30 0.00 0.51 -0.09 -0.68 0.00 0.00 178.15 177.59 2d89 h ARG 109 N -0.86 0.41 0.00 2.37 1.12 -1.12 -0.82 114.38 115.48 2d89 h ARG 109 Ca -0.08 -0.02 -0.25 0.00 -1.11 0.00 0.00 59.98 58.51 2d89 h ARG 109 Cb 0.67 -0.09 0.02 0.00 -0.01 0.00 0.00 29.97 30.56 2d89 h ARG 109 CO 0.12 0.27 -0.98 0.00 -3.11 0.00 0.00 179.97 176.28 2d89 h ALA 110 N 1.64 0.12 0.43 2.80 0.00 0.58 -2.20 119.26 122.63 2d89 h ALA 110 Ca 0.38 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2d89 h ALA 110 Cb 0.86 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2d89 h ALA 110 CO -0.12 0.63 -0.26 1.25 0.00 0.00 0.00 179.25 180.75 2d89 h HIS 111 N 0.32 -0.69 -0.13 0.00 -0.00 0.11 -3.09 115.15 111.66 2d89 h HIS 111 Ca -0.12 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 2d89 h HIS 111 Cb 1.64 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 29.29 2d89 h HIS 111 CO 0.11 -0.40 0.06 0.74 -0.00 0.00 0.00 177.93 178.44 2d89 h PHE 112 N -0.66 0.19 -3.78 5.26 0.04 -1.39 -3.44 116.94 113.16 2d89 h PHE 112 Ca -0.05 -0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.41 2d89 h PHE 112 Cb 0.54 -0.06 -0.29 0.00 2.20 0.00 0.00 35.95 38.34 2d89 h PHE 112 CO -0.09 0.24 -0.74 0.45 -0.60 0.00 0.00 178.31 177.56 2d89 s SER 113 N -5.46 0.41 -0.36 2.17 0.15 -0.83 -5.05 113.70 104.72 2d89 s SER 113 Ca -0.14 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.54 2d89 s SER 113 Cb 0.07 -0.08 0.45 0.00 -1.71 0.00 0.00 66.02 64.74 2d89 s SER 113 CO 0.69 0.02 1.13 -0.24 1.20 0.00 0.00 173.24 176.03 2d89 n SER 114 N 3.19 4.26 0.00 5.45 2.88 -1.23 -3.48 113.62 124.69 2d89 n SER 114 Ca -0.15 -3.51 0.00 0.00 -1.33 0.00 0.00 58.87 53.88 2d89 n SER 114 Cb 0.57 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2d89 n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d89 n GLY 115 N -0.54 -0.80 3.77 0.46 0.00 -1.26 -4.92 105.19 101.90 2d89 n GLY 115 Ca 0.36 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 4.28 -0.36 1.61 0.04 -1.26 -4.94 135.00 134.37 2d89 s PRO 116 Ca 0.00 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2d89 s PRO 116 Cb 0.00 -2.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 2d89 s PRO 116 CO 0.00 -0.17 1.83 0.45 0.04 0.00 0.00 177.00 179.15 2d89 s SER 117 N -0.83 5.78 -0.06 6.66 0.15 -1.26 -4.98 113.70 119.16 2d89 s SER 117 Ca 0.52 1.21 0.01 0.00 0.70 0.00 0.00 55.95 58.39 2d89 s SER 117 Cb -0.35 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.41 2d89 s SER 117 CO 0.45 -1.82 -0.08 -0.44 1.20 0.00 0.00 173.24 172.55 2d89 s SER 118 N 6.53 4.54 0.00 5.45 0.01 -1.26 -5.26 113.70 123.70 2d89 s SER 118 Ca 0.79 -0.06 0.24 0.00 1.31 0.00 0.00 55.95 58.24 2d89 s SER 118 Cb -0.22 -1.11 0.19 0.00 0.21 0.00 0.00 66.02 65.10 2d89 s SER 118 CO 0.32 0.36 1.26 0.61 0.41 0.00 0.00 173.24 176.20