#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 1.25 0.51 1.61 0.15 -1.26 -5.15 113.70 110.82 2d89 s SER 2 Ca 0.00 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.41 2d89 s SER 2 Cb 0.00 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 2d89 s SER 2 CO 0.00 0.03 0.80 -0.44 1.20 0.00 0.00 173.24 174.84 2d89 s SER 3 N 0.45 5.93 0.25 5.45 0.01 -1.26 -5.11 113.70 119.43 2d89 s SER 3 Ca -0.07 0.73 0.02 0.00 1.31 0.00 0.00 55.95 57.93 2d89 s SER 3 Cb -0.11 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 2d89 s SER 3 CO 0.01 -0.78 0.15 -0.83 0.41 0.00 0.00 173.24 172.21 2d89 s GLY 4 N -4.20 1.78 0.63 3.44 0.00 -1.26 -5.14 107.32 102.57 2d89 s GLY 4 Ca 0.50 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.24 2d89 s GLY 4 CO 0.44 -1.49 0.96 1.44 0.00 0.00 0.00 173.10 174.45 2d89 n SER 5 N -0.65 0.71 -0.03 1.64 7.64 -1.26 -4.94 113.62 116.73 2d89 n SER 5 Ca 0.02 0.77 -0.15 0.00 1.01 0.00 0.00 58.87 60.53 2d89 n SER 5 Cb 0.65 -1.39 -0.10 0.00 -1.01 0.00 0.00 64.21 62.36 2d89 n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2d89 h SER 6 N 0.33 0.37 -2.64 6.43 4.64 -2.04 -3.46 113.55 117.17 2d89 h SER 6 Ca -0.48 -0.68 -0.54 0.00 -0.47 0.00 0.00 61.79 59.62 2d89 h SER 6 Cb 1.36 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 2d89 h SER 6 CO 0.50 0.99 -0.73 -0.83 -0.87 0.00 0.00 176.83 175.89 2d89 s GLY 7 N -3.82 1.75 -0.31 -0.77 0.00 -1.26 -5.06 107.32 97.85 2d89 s GLY 7 Ca -0.14 -1.83 -0.29 0.00 0.00 0.00 0.00 44.72 42.46 2d89 s GLY 7 CO 0.77 -1.88 1.67 2.56 0.00 0.00 0.00 173.10 176.22 2d89 s PRO 8 N -3.60 3.53 -0.26 2.90 0.04 -1.26 -4.86 135.00 131.49 2d89 s PRO 8 Ca 0.28 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2d89 s PRO 8 Cb -0.01 -4.11 -0.12 0.00 0.04 0.00 0.00 34.50 30.30 2d89 s PRO 8 CO 0.12 -1.62 -0.32 -1.71 0.04 0.00 0.00 177.00 173.51 2d89 n ASN 9 N 9.42 1.84 -4.14 6.66 5.15 -1.26 -5.06 115.26 127.86 2d89 n ASN 9 Ca 0.20 0.27 -0.10 0.00 -0.60 0.00 0.00 54.58 54.35 2d89 n ASN 9 Cb 0.46 -0.72 -0.10 0.00 -0.53 0.00 0.00 39.78 38.90 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d89 s ALA 10 N -2.47 0.85 0.35 5.20 0.00 -1.26 -5.03 121.76 119.39 2d89 s ALA 10 Ca -0.35 -1.47 0.14 0.00 0.00 0.00 0.00 51.96 50.27 2d89 s ALA 10 Cb 0.13 1.01 1.13 0.00 0.00 0.00 0.00 23.12 25.39 2d89 s ALA 10 CO 0.46 -0.54 1.57 -1.13 0.00 0.00 0.00 175.76 176.12 2d89 n SER 11 N -0.16 0.18 -0.32 0.00 3.41 -1.26 0.01 113.62 115.48 2d89 n SER 11 Ca -0.04 1.66 0.12 0.00 -0.26 0.00 0.00 58.87 60.36 2d89 n SER 11 Cb 0.64 -0.73 0.23 0.00 -0.26 0.00 0.00 64.21 64.09 2d89 n SER 11 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2d89 n GLN 12 N -5.34 -0.07 -0.20 4.33 7.27 -1.26 -0.96 117.38 121.14 2d89 n GLN 12 Ca 0.32 1.37 -0.05 0.00 0.07 0.00 0.00 57.00 58.71 2d89 n GLN 12 Cb 1.09 -2.15 -0.05 0.00 2.41 0.00 0.00 30.24 31.54 2d89 n GLN 12 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2d89 n SER 13 N -5.37 -0.51 -0.07 1.69 7.64 0.10 -0.63 113.62 116.48 2d89 n SER 13 Ca 0.20 1.30 -0.12 0.00 1.01 0.00 0.00 58.87 61.25 2d89 n SER 13 Cb 0.64 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 2d89 n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2d89 h LEU 14 N 0.00 -1.50 -1.93 -3.43 5.85 -1.24 0.47 115.31 113.54 2d89 h LEU 14 Ca 0.08 0.20 0.34 0.00 0.84 0.00 0.00 57.88 59.34 2d89 h LEU 14 Cb 0.20 0.62 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2d89 h LEU 14 CO -0.45 -0.41 0.84 0.25 -0.34 0.00 0.00 178.44 178.32 2d89 h LEU 15 N -0.44 0.05 0.18 2.25 5.85 -1.01 0.33 115.31 122.52 2d89 h LEU 15 Ca 0.09 0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.49 2d89 h LEU 15 Cb 0.62 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.66 2d89 h LEU 15 CO -0.50 0.01 -1.62 0.58 -0.34 0.00 0.00 178.44 176.57 2d89 h VAL 16 N 0.04 1.09 -0.44 1.05 2.07 0.19 -2.96 116.25 117.29 2d89 h VAL 16 Ca 0.57 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.42 2d89 h VAL 16 Cb 2.20 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 34.78 2d89 h VAL 16 CO -0.04 0.84 0.22 -0.25 0.02 0.00 0.00 177.57 178.35 2d89 h TRP 17 N 0.10 0.64 -0.36 1.57 7.01 0.35 0.44 115.95 125.70 2d89 h TRP 17 Ca -0.29 -0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.58 2d89 h TRP 17 Cb 2.09 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.94 2d89 h TRP 17 CO 0.09 0.51 -0.15 0.00 -2.79 0.00 0.00 178.44 176.11 2d89 h LYS 19 N 0.52 0.71 0.72 0.00 1.57 -1.36 -2.46 116.57 116.27 2d89 h LYS 19 Ca 0.08 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2d89 h LYS 19 Cb 0.69 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.99 2d89 h LYS 19 CO 0.05 0.93 -0.35 1.49 -0.57 0.00 0.00 179.45 181.00 2d89 h GLU 20 N 0.60 -0.93 -0.02 3.15 4.81 -0.04 -0.67 114.58 121.49 2d89 h GLU 20 Ca 0.07 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2d89 h GLU 20 Cb 0.82 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 2d89 h GLU 20 CO 0.07 -0.62 0.02 -0.39 -0.73 0.00 0.00 179.01 177.35 2d89 h VAL 21 N -0.97 0.59 -0.73 0.32 -1.51 -1.49 -0.52 116.25 111.94 2d89 h VAL 21 Ca -0.10 0.00 -0.31 0.00 -1.23 0.00 0.00 66.70 65.06 2d89 h VAL 21 Cb 0.74 0.99 -0.19 0.00 -2.13 0.00 0.00 31.29 30.70 2d89 h VAL 21 CO 0.16 0.00 0.33 0.35 -1.23 0.00 0.00 177.57 177.19 2d89 n THR 22 N -3.95 2.93 -2.33 7.19 -2.24 -0.92 -4.70 114.28 110.25 2d89 n THR 22 Ca -0.03 -2.00 -0.42 0.00 -2.27 0.00 0.00 64.05 59.33 2d89 n THR 22 Cb 0.10 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2d89 n THR 22 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2d89 s LYS 23 N -3.16 4.32 -0.41 -0.78 -2.85 -0.21 -2.93 119.74 113.73 2d89 s LYS 23 Ca 0.53 1.84 -0.01 0.00 -1.00 0.00 0.00 55.97 57.33 2d89 s LYS 23 Cb 0.44 -3.54 0.00 0.00 -2.06 0.00 0.00 37.83 32.68 2d89 s LYS 23 CO 0.09 -0.49 0.12 0.09 0.10 0.00 0.00 175.35 175.26 2d89 n ASN 24 N 5.14 -2.59 -3.73 0.03 3.02 -1.26 -5.05 115.26 110.83 2d89 n ASN 24 Ca 0.12 -0.06 -0.14 0.00 -0.03 0.00 0.00 54.58 54.47 2d89 n ASN 24 Cb 0.45 -1.62 0.07 0.00 -0.61 0.00 0.00 39.78 38.06 2d89 n ASN 24 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2d89 n TYR 25 N -3.65 -2.90 -3.75 3.10 4.02 -1.15 -5.08 117.16 107.75 2d89 n TYR 25 Ca -0.04 -1.21 -0.37 0.00 -0.01 0.00 0.00 57.90 56.27 2d89 n TYR 25 Cb 0.53 -0.43 -0.11 0.00 -0.02 0.00 0.00 39.34 39.31 2d89 n TYR 25 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2d89 s ARG 26 N -3.98 2.06 -0.11 -0.72 1.81 -1.26 -4.66 118.95 112.09 2d89 s ARG 26 Ca 0.41 -1.83 -0.00 0.00 -1.72 0.00 0.00 55.73 52.59 2d89 s ARG 26 Cb -0.03 -3.62 -0.00 0.00 -0.45 0.00 0.00 34.95 30.85 2d89 s ARG 26 CO 0.27 -1.09 0.10 0.41 -0.68 0.00 0.00 175.30 174.31 2d89 n GLY 27 N 4.60 0.39 2.64 -3.53 0.00 -1.26 -5.04 105.19 102.99 2d89 n GLY 27 Ca -0.03 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.03 1.36 -0.62 1.61 1.01 -1.26 -4.84 120.40 114.62 2d89 s VAL 28 Ca 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 61.98 59.04 2d89 s VAL 28 Cb -0.00 -1.93 0.15 0.00 0.00 0.00 0.00 36.38 34.61 2d89 s VAL 28 CO 0.07 -1.05 0.39 -0.75 0.00 0.00 0.00 175.10 173.77 2d89 s LYS 29 N -0.18 2.21 -0.81 2.72 2.20 -1.26 -4.94 119.74 119.68 2d89 s LYS 29 Ca 0.25 -3.00 -0.27 0.00 -0.36 0.00 0.00 55.97 52.58 2d89 s LYS 29 Cb -0.10 -3.31 -0.26 0.00 -1.51 0.00 0.00 37.83 32.65 2d89 s LYS 29 CO -0.11 -1.21 1.96 -0.89 -0.36 0.00 0.00 175.35 174.74 2d89 n ILE 30 N 2.48 0.24 0.10 5.43 -0.00 -1.26 -4.59 119.36 121.76 2d89 n ILE 30 Ca 0.14 -0.24 -0.16 0.00 -0.00 0.00 0.00 62.75 62.49 2d89 n ILE 30 Cb 0.34 -2.03 -0.12 0.00 -0.00 0.00 0.00 39.64 37.84 2d89 n ILE 30 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 2d89 h THR 31 N 6.14 1.47 -4.70 1.39 1.35 -1.95 -3.48 112.91 113.13 2d89 h THR 31 Ca 0.10 -2.91 -0.45 0.00 -0.55 0.00 0.00 66.41 62.60 2d89 h THR 31 Cb 0.91 2.83 -0.12 0.00 -1.73 0.00 0.00 68.15 70.04 2d89 h THR 31 CO 1.32 0.85 -0.44 0.59 -0.25 0.00 0.00 175.52 177.59 2d89 n ASN 32 N -3.59 -0.57 -0.87 5.36 3.02 -1.26 -5.06 115.26 112.28 2d89 n ASN 32 Ca -0.08 -3.07 0.01 0.00 -0.03 0.00 0.00 54.58 51.41 2d89 n ASN 32 Cb 0.98 1.55 0.20 0.00 -0.61 0.00 0.00 39.78 41.90 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 -0.61 0.51 0.07 3.10 3.72 -1.26 -4.36 117.46 118.63 2d89 n PHE 33 Ca 0.07 -1.57 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 2d89 n PHE 33 Cb 0.57 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.53 -0.07 4.37 -2.24 -1.26 -4.39 114.28 110.11 2d89 n THR 34 Ca 0.26 0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 62.01 2d89 n THR 34 Cb 0.84 -0.99 -0.12 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 1.10 -1.72 4.28 1.35 -1.94 -2.35 112.91 113.62 2d89 h THR 35 Ca 0.00 -2.27 0.50 0.00 -0.55 0.00 0.00 66.41 64.09 2d89 h THR 35 Cb 0.00 2.58 -0.07 0.00 -1.73 0.00 0.00 68.15 68.93 2d89 h THR 35 CO 0.00 0.49 1.37 0.28 -0.25 0.00 0.00 175.52 177.41 2d89 h SER 36 N -0.79 0.00 0.00 5.36 0.02 -1.93 1.06 113.55 117.27 2d89 h SER 36 Ca -0.27 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.52 2d89 h SER 36 Cb 1.38 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 2d89 h SER 36 CO -0.09 0.00 -1.81 0.79 -1.14 0.00 0.00 176.83 174.57 2d89 n TRP 37 N -3.74 0.00 -0.25 3.45 7.02 -1.26 -4.15 117.44 118.52 2d89 n TRP 37 Ca 0.39 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.93 2d89 n TRP 37 Cb 1.89 -0.53 0.13 0.00 -2.42 0.00 0.00 31.31 30.38 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 -2.31 -0.06 0.16 -0.99 0.63 0.36 0.58 116.66 115.03 2d89 n ARG 38 Ca -0.15 1.09 -0.14 0.00 -0.92 0.00 0.00 57.85 57.74 2d89 n ARG 38 Cb 0.73 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.89 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 -0.35 0.00 6.15 7.08 -1.81 -3.45 115.58 123.21 2d89 h ASN 39 Ca 0.37 -0.16 0.00 0.00 -3.08 0.00 0.00 56.30 53.43 2d89 h ASN 39 Cb 0.63 0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.96 2d89 h ASN 39 CO -0.71 -0.02 0.00 0.61 -2.08 0.00 0.00 177.43 175.23 2d89 n GLY 40 N -0.45 1.23 0.49 9.14 0.00 0.20 -3.66 105.19 112.12 2d89 n GLY 40 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.42 -1.58 0.99 3.38 -1.82 -0.24 115.31 114.62 2d89 h LEU 41 Ca 0.00 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.28 2d89 h LEU 41 Cb 0.00 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2d89 h LEU 41 CO 0.00 -0.62 0.56 0.28 0.09 0.00 0.00 178.44 178.75 2d89 h SER 42 N -0.90 0.36 0.29 -0.43 0.02 -1.89 0.34 113.55 111.34 2d89 h SER 42 Ca -0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2d89 h SER 42 Cb 0.82 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2d89 h SER 42 CO -0.14 0.16 -0.14 -0.26 -1.14 0.00 0.00 176.83 175.31 2d89 h PHE 43 N 0.37 -0.36 0.43 3.45 0.04 -1.61 -3.15 116.94 116.12 2d89 h PHE 43 Ca 0.42 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.16 2d89 h PHE 43 Cb 1.08 0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2d89 h PHE 43 CO -0.00 -0.05 -0.21 0.00 -0.60 0.00 0.00 178.31 177.45 2d89 n ALA 45 N -2.55 1.16 0.18 0.00 0.00 0.11 0.76 120.51 120.18 2d89 n ALA 45 Ca -0.10 0.61 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 2d89 n ALA 45 Cb 0.29 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 2d89 n ALA 45 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d89 h ILE 46 N 0.00 0.33 -0.01 0.00 2.04 -1.48 -2.38 117.51 116.01 2d89 h ILE 46 Ca 0.68 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2d89 h ILE 46 Cb 2.38 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2d89 h ILE 46 CO -0.24 0.07 0.01 0.25 0.00 0.00 0.00 178.15 178.24 2d89 h LEU 47 N -1.03 0.00 -0.12 1.44 5.85 0.34 -0.59 115.31 121.21 2d89 h LEU 47 Ca -0.05 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.45 2d89 h LEU 47 Cb 0.52 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2d89 h LEU 47 CO 0.09 0.00 -0.99 -0.74 -0.34 0.00 0.00 178.44 176.45 2d89 h HIS 48 N 0.00 0.25 -0.01 1.25 2.76 -0.87 -2.79 115.15 115.75 2d89 h HIS 48 Ca 0.00 -0.16 0.03 0.00 -2.20 0.00 0.00 60.37 58.04 2d89 h HIS 48 Cb 0.03 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 2d89 h HIS 48 CO 0.00 1.05 -0.39 1.25 -1.30 0.00 0.00 177.93 178.54 2d89 h HIS 49 N 0.07 -1.10 -0.14 5.26 -0.00 -0.55 -0.57 115.15 118.11 2d89 h HIS 49 Ca -0.06 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 2d89 h HIS 49 Cb 1.68 0.49 -0.00 0.00 -0.00 0.00 0.00 27.41 29.57 2d89 h HIS 49 CO 0.03 -0.47 -0.12 0.74 -0.00 0.00 0.00 177.93 178.11 2d89 h PHE 50 N -0.54 0.38 -3.01 5.26 -1.00 -1.67 -3.41 116.94 112.94 2d89 h PHE 50 Ca 0.05 -0.11 -0.56 0.00 2.81 0.00 0.00 57.97 60.16 2d89 h PHE 50 Cb 0.63 -0.08 -0.40 0.00 3.61 0.00 0.00 35.95 39.71 2d89 h PHE 50 CO -0.40 0.71 -0.77 0.50 -1.61 0.00 0.00 178.31 176.74 2d89 s ARG 51 N -4.35 0.54 0.00 1.51 6.06 -1.05 -4.98 118.95 116.68 2d89 s ARG 51 Ca -0.14 -0.91 0.10 0.00 -2.50 0.00 0.00 55.73 52.28 2d89 s ARG 51 Cb 0.05 -1.69 0.62 0.00 0.06 0.00 0.00 34.95 33.98 2d89 s ARG 51 CO 0.74 -1.01 1.05 -0.35 -2.50 0.00 0.00 175.30 173.24 2d89 n PRO 52 N 4.95 0.48 -0.10 5.12 -0.04 -0.24 -2.73 135.00 142.44 2d89 n PRO 52 Ca -0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.28 2d89 n PRO 52 Cb 0.42 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.83 2.30 -0.52 3.54 9.92 -1.26 -4.49 116.55 125.21 2d89 n ASP 53 Ca 0.08 -0.04 0.42 0.00 -0.53 0.00 0.00 54.79 54.72 2d89 n ASP 53 Cb 0.04 -0.36 0.71 0.00 -0.64 0.00 0.00 41.12 40.86 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2d89 h LEU 54 N -0.13 0.16 0.00 0.64 3.38 -1.83 -3.40 115.31 114.12 2d89 h LEU 54 Ca -0.46 0.10 -0.49 0.00 0.09 0.00 0.00 57.88 57.13 2d89 h LEU 54 Cb 1.65 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 42.40 2d89 h LEU 54 CO -0.11 -0.16 -0.37 -0.38 0.09 0.00 0.00 178.44 177.51 2d89 n ILE 55 N -4.49 0.00 -1.60 1.22 -0.00 -1.26 -4.96 119.36 108.26 2d89 n ILE 55 Ca 0.40 -1.87 -0.04 0.00 -0.00 0.00 0.00 62.75 61.24 2d89 n ILE 55 Cb 1.63 0.47 0.18 0.00 -0.00 0.00 0.00 39.64 41.91 2d89 n ILE 55 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2d89 n ASP 56 N -1.37 2.61 0.16 4.38 2.03 -1.26 -4.74 116.55 118.36 2d89 n ASP 56 Ca -0.13 -3.84 0.19 0.00 0.52 0.00 0.00 54.79 51.53 2d89 n ASP 56 Cb 0.50 -0.56 0.79 0.00 -0.72 0.00 0.00 41.12 41.13 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 1.19 0.00 0.00 -0.67 5.03 -1.94 0.22 116.97 120.80 2d89 h TYR 57 Ca 0.16 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.47 2d89 h TYR 57 Cb 1.33 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.61 2d89 h TYR 57 CO 0.91 0.00 0.00 1.57 -1.32 0.00 0.00 178.16 179.32 2d89 h LYS 58 N 0.00 0.00 0.00 1.82 5.09 -1.86 -2.36 116.57 119.26 2d89 h LYS 58 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.78 2d89 h LYS 58 Cb 0.76 0.00 -0.20 0.00 0.10 0.00 0.00 32.23 32.89 2d89 h LYS 58 CO -0.00 0.00 -0.74 0.45 -2.09 0.00 0.00 179.45 177.07 2d89 n SER 59 N -2.78 0.99 -4.13 7.07 2.88 0.73 -5.09 113.62 113.30 2d89 n SER 59 Ca -0.02 -2.41 -0.19 0.00 -1.33 0.00 0.00 58.87 54.93 2d89 n SER 59 Cb 0.10 -0.33 0.09 0.00 -0.75 0.00 0.00 64.21 63.32 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 -0.05 0.00 -3.55 2.46 4.77 -0.89 -5.09 117.00 114.65 2d89 n LEU 60 Ca 0.08 -1.77 -0.06 0.00 -0.03 0.00 0.00 56.01 54.23 2d89 n LEU 60 Cb 0.93 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2d89 n LEU 60 CO -0.03 -0.88 0.82 0.20 -1.33 0.00 0.00 177.39 176.18 2d89 s ASN 61 N -4.30 -0.26 0.00 -1.43 0.02 -1.26 -5.01 114.94 102.70 2d89 s ASN 61 Ca 0.54 -0.03 0.04 0.00 -1.02 0.00 0.00 52.86 52.39 2d89 s ASN 61 Cb -0.03 0.29 0.22 0.00 0.02 0.00 0.00 41.25 41.76 2d89 s ASN 61 CO 0.36 -0.48 0.69 -0.81 0.02 0.00 0.00 177.10 176.88 2d89 n PRO 62 N -0.21 0.49 0.15 -0.60 -0.04 -1.26 -2.52 135.00 131.01 2d89 n PRO 62 Ca -0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 2d89 n PRO 62 Cb 0.60 -1.12 0.06 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.98 -3.44 115.11 105.51 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 -0.22 0.00 -0.00 0.00 0.00 27.48 27.26 2d89 h GLN 63 CO 0.00 0.08 -0.53 -0.51 -0.00 0.00 0.00 178.83 177.87 2d89 s ASP 64 N -5.85 5.73 -0.28 0.06 1.01 -1.05 -4.95 116.67 111.35 2d89 s ASP 64 Ca 0.03 -0.57 -0.14 0.00 0.71 0.00 0.00 52.55 52.57 2d89 s ASP 64 Cb 0.07 -2.05 -0.12 0.00 1.01 0.00 0.00 42.92 41.83 2d89 s ASP 64 CO 0.74 -0.24 -0.32 -0.38 0.21 0.00 0.00 175.17 175.18 2d89 n ILE 65 N 5.02 1.53 0.01 0.77 5.41 -1.25 -3.95 119.36 126.90 2d89 n ILE 65 Ca -0.13 -0.37 -0.12 0.00 1.00 0.00 0.00 62.75 63.13 2d89 n ILE 65 Cb 0.49 -1.89 -0.10 0.00 -0.71 0.00 0.00 39.64 37.44 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 -0.99 -0.09 0.46 0.38 3.64 -1.78 -3.15 116.57 115.04 2d89 h LYS 66 Ca -0.69 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.68 2d89 h LYS 66 Cb 1.60 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.43 2d89 h LYS 66 CO -0.41 0.43 -0.35 1.49 -2.27 0.00 0.00 179.45 178.34 2d89 h GLU 67 N -0.67 -0.75 -0.82 1.90 4.81 -1.88 -0.44 114.58 116.74 2d89 h GLU 67 Ca -0.01 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 2d89 h GLU 67 Cb 0.56 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.00 2d89 h GLU 67 CO 0.01 -0.50 -0.43 0.09 -0.73 0.00 0.00 179.01 177.45 2d89 n ASN 68 N -4.54 -0.77 0.14 1.04 4.13 -1.25 -0.14 115.26 113.86 2d89 n ASN 68 Ca -0.09 1.45 -0.13 0.00 1.68 0.00 0.00 54.58 57.49 2d89 n ASN 68 Cb 0.34 -0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 38.28 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 -0.49 -0.84 6.41 2.35 -1.48 -2.46 115.58 119.07 2d89 h ASN 69 Ca 0.18 0.05 0.19 0.00 -0.55 0.00 0.00 56.30 56.17 2d89 h ASN 69 Cb 0.38 0.17 -0.12 0.00 0.05 0.00 0.00 38.32 38.81 2d89 h ASN 69 CO -0.78 -0.28 0.32 0.50 -1.65 0.00 0.00 177.43 175.54 2d89 h LYS 70 N -0.40 0.36 -0.30 0.81 1.63 0.12 -0.50 116.57 118.30 2d89 h LYS 70 Ca 0.00 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 2d89 h LYS 70 Cb 0.38 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 2d89 h LYS 70 CO -0.05 0.24 -0.14 0.87 -3.45 0.00 0.00 179.45 176.92 2d89 h LYS 71 N 0.37 -0.09 0.00 1.90 1.57 -0.07 -2.00 116.57 118.25 2d89 h LYS 71 Ca 0.50 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2d89 h LYS 71 Cb 0.90 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2d89 h LYS 71 CO -0.51 -0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.31 2d89 n ALA 72 N -2.69 -0.39 -0.25 3.86 0.00 -0.23 -2.22 120.51 118.58 2d89 n ALA 72 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2d89 n ALA 72 Cb 0.23 0.08 0.19 0.00 0.00 0.00 0.00 19.45 19.96 2d89 n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d89 n TYR 73 N -2.05 0.43 -0.17 0.00 4.01 -0.98 0.22 117.16 118.62 2d89 n TYR 73 Ca 0.00 0.88 -0.03 0.00 -0.16 0.00 0.00 57.90 58.59 2d89 n TYR 73 Cb 0.00 -1.03 0.07 0.00 -0.31 0.00 0.00 39.34 38.07 2d89 n TYR 73 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2d89 h ASP 74 N 0.00 0.25 0.08 7.72 5.19 -1.15 0.90 116.42 129.40 2d89 h ASP 74 Ca 0.43 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.89 2d89 h ASP 74 Cb 0.84 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2d89 h ASP 74 CO -0.70 0.17 -0.04 1.23 -3.12 0.00 0.00 179.24 176.78 2d89 h GLY 75 N 0.41 -0.12 -0.09 2.75 0.00 0.32 -2.46 103.07 103.87 2d89 h GLY 75 Ca 0.25 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.72 2d89 h GLY 75 CO -0.23 -0.04 -0.16 0.74 0.00 0.00 0.00 176.54 176.85 2d89 h PHE 76 N -0.96 -0.38 0.00 5.60 0.04 -0.40 0.33 116.94 121.17 2d89 h PHE 76 Ca -0.01 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 2d89 h PHE 76 Cb 0.47 0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 2d89 h PHE 76 CO 0.10 -0.26 -0.16 0.00 -0.60 0.00 0.00 178.31 177.39 2d89 h ALA 77 N 1.42 1.14 -0.76 2.45 0.00 -0.84 -2.53 119.26 120.13 2d89 h ALA 77 Ca 0.25 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2d89 h ALA 77 Cb 0.42 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2d89 h ALA 77 CO -0.55 0.20 0.40 1.03 0.00 0.00 0.00 179.25 180.33 2d89 h SER 78 N 0.00 0.53 0.49 0.00 0.87 0.16 -1.57 113.55 114.02 2d89 h SER 78 Ca -0.00 0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 60.41 2d89 h SER 78 Cb 0.52 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2d89 h SER 78 CO 0.02 0.29 -0.90 0.16 -0.53 0.00 0.00 176.83 175.86 2d89 h ILE 79 N 0.65 1.46 0.00 2.23 3.07 -1.42 -3.47 117.51 120.04 2d89 h ILE 79 Ca 0.38 -2.56 0.00 0.00 1.55 0.00 0.00 64.86 64.23 2d89 h ILE 79 Cb 0.41 2.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.41 2d89 h ILE 79 CO -0.28 0.75 0.00 0.61 -1.05 0.00 0.00 178.15 178.18 2d89 n GLY 80 N 0.91 0.00 3.33 0.16 0.00 -0.59 -5.12 105.19 103.88 2d89 n GLY 80 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 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 5.01 -0.15 -0.61 1.01 -0.97 -4.97 121.20 120.53 2d89 s ILE 81 Ca 0.00 -1.30 -0.37 0.00 0.00 0.00 0.00 60.65 58.98 2d89 s ILE 81 Cb 0.00 -4.09 -0.14 0.00 0.01 0.00 0.00 42.46 38.24 2d89 s ILE 81 CO 0.00 -0.68 1.79 -1.20 0.00 0.00 0.00 174.94 174.85 2d89 n SER 82 N 5.16 2.93 -4.64 3.58 7.64 -1.26 -3.46 113.62 123.56 2d89 n SER 82 Ca -0.12 1.03 -0.43 0.00 1.01 0.00 0.00 58.87 60.35 2d89 n SER 82 Cb 0.42 -1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 62.33 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 3.56 4.03 -0.25 1.43 1.70 -1.26 -4.90 118.95 123.26 2d89 s ARG 83 Ca 0.94 1.17 -0.17 0.00 -0.47 0.00 0.00 55.73 57.20 2d89 s ARG 83 Cb -0.86 -3.79 -0.15 0.00 -0.57 0.00 0.00 34.95 29.58 2d89 s ARG 83 CO 0.57 -0.96 -0.12 1.28 -1.08 0.00 0.00 175.30 174.99 2d89 n LEU 84 N 7.11 1.92 -4.86 -1.89 4.32 -1.26 -4.96 117.00 117.38 2d89 n LEU 84 Ca 0.13 0.38 -0.34 0.00 -0.02 0.00 0.00 56.01 56.16 2d89 n LEU 84 Cb 0.47 -0.88 -0.06 0.00 -1.62 0.00 0.00 43.42 41.33 2d89 n LEU 84 CO 0.60 0.45 0.21 -0.22 -1.22 0.00 0.00 177.39 177.21 2d89 s LEU 85 N -7.67 4.25 0.11 2.23 2.96 -1.26 -5.09 118.68 114.21 2d89 s LEU 85 Ca -0.35 0.97 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 2d89 s LEU 85 Cb 0.11 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2d89 s LEU 85 CO 0.53 0.02 0.07 -1.61 -1.32 0.00 0.00 176.35 174.04 2d89 s GLU 86 N -2.39 2.79 0.02 1.98 0.41 -1.26 -5.02 118.70 115.23 2d89 s GLU 86 Ca 0.42 -0.78 -0.22 0.00 -0.41 0.00 0.00 54.97 53.97 2d89 s GLU 86 Cb -0.13 -2.65 -0.17 0.00 -1.78 0.00 0.00 34.13 29.41 2d89 s GLU 86 CO 0.20 0.54 1.32 -1.00 -0.49 0.00 0.00 175.26 175.82 2d89 h PRO 87 N 3.10 0.22 0.13 0.39 0.13 -1.89 -3.28 132.00 130.79 2d89 h PRO 87 Ca -0.47 -0.11 0.01 0.00 -0.87 0.00 0.00 66.00 64.56 2d89 h PRO 87 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2d89 h PRO 87 CO 0.63 0.64 -0.19 1.03 -0.23 0.00 0.00 178.00 179.88 2d89 h SER 88 N -0.20 -0.54 -0.95 1.44 0.87 -1.91 -2.65 113.55 109.62 2d89 h SER 88 Ca 0.01 0.06 0.19 0.00 -1.23 0.00 0.00 61.79 60.82 2d89 h SER 88 Cb 0.60 0.20 -0.18 0.00 -0.44 0.00 0.00 62.40 62.58 2d89 h SER 88 CO 0.02 -0.28 -0.25 0.47 -0.53 0.00 0.00 176.83 176.27 2d89 n ASP 89 N -5.32 -0.36 -0.33 6.23 8.00 -1.24 0.15 116.55 123.67 2d89 n ASP 89 Ca -0.07 1.64 0.17 0.00 0.71 0.00 0.00 54.79 57.23 2d89 n ASP 89 Cb 0.23 -0.49 0.37 0.00 -0.02 0.00 0.00 41.12 41.22 2d89 n ASP 89 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2d89 h MET 90 N 0.00 0.47 -0.00 -1.24 2.86 -1.53 -1.03 114.93 114.46 2d89 h MET 90 Ca 0.45 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 58.01 2d89 h MET 90 Cb 0.68 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2d89 h MET 90 CO -0.98 0.31 -0.18 0.28 1.06 0.00 0.00 176.91 177.41 2d89 h VAL 91 N 0.49 1.56 -0.17 -2.22 2.07 0.13 -3.36 116.25 114.74 2d89 h VAL 91 Ca 0.63 -1.89 0.02 0.00 0.82 0.00 0.00 66.70 66.28 2d89 h VAL 91 Cb 1.22 2.76 -0.03 0.00 -1.52 0.00 0.00 31.29 33.73 2d89 h VAL 91 CO -0.51 0.51 -0.17 -0.07 0.02 0.00 0.00 177.57 177.35 2d89 h LEU 92 N -0.56 -0.58-10.49 2.57 3.38 0.15 -3.42 115.31 106.36 2d89 h LEU 92 Ca -0.02 0.08 -0.47 0.00 0.09 0.00 0.00 57.88 57.56 2d89 h LEU 92 Cb 0.93 0.24 0.06 0.00 0.09 0.00 0.00 40.66 41.99 2d89 h LEU 92 CO 0.04 -0.11 0.19 -1.48 0.09 0.00 0.00 178.44 177.17 2d89 s LEU 93 N -7.00 3.07 0.00 1.67 0.05 -0.79 -5.06 118.68 110.62 2d89 s LEU 93 Ca -0.04 0.60 0.00 0.00 0.05 0.00 0.00 54.13 54.74 2d89 s LEU 93 Cb 0.03 -3.36 0.00 0.00 -2.05 0.00 0.00 46.19 40.81 2d89 s LEU 93 CO 0.18 -1.28 0.24 0.00 -0.55 0.00 0.00 176.35 174.94 2d89 n ALA 94 N -2.71 -0.10 -3.01 1.48 0.00 -1.26 -4.78 120.51 110.13 2d89 n ALA 94 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 2d89 n ALA 94 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 2d89 n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2d89 s ILE 95 N -1.20 3.75 1.26 0.00 -1.09 -1.26 -4.95 121.20 117.71 2d89 s ILE 95 Ca 0.00 -0.40 -0.21 0.00 -2.23 0.00 0.00 60.65 57.81 2d89 s ILE 95 Cb 0.00 -2.64 0.31 0.00 -1.58 0.00 0.00 42.46 38.55 2d89 s ILE 95 CO 0.00 0.49 1.11 -2.16 -1.23 0.00 0.00 174.94 173.15 2d89 s PRO 96 N 0.46 -1.66 -0.49 2.79 0.04 -1.26 -4.99 135.00 129.88 2d89 s PRO 96 Ca -0.04 -0.22 -0.18 0.00 0.04 0.00 0.00 61.00 60.61 2d89 s PRO 96 Cb -0.14 -1.56 0.07 0.00 0.04 0.00 0.00 34.50 32.90 2d89 s PRO 96 CO 0.03 -3.97 0.53 -0.51 0.04 0.00 0.00 177.00 173.12 2d89 s ASP 97 N -4.01 6.19 0.35 6.66 1.11 -1.26 -4.93 116.67 120.78 2d89 s ASP 97 Ca 0.72 -1.11 0.16 0.00 0.18 0.00 0.00 52.55 52.50 2d89 s ASP 97 Cb -0.07 -2.25 1.17 0.00 1.07 0.00 0.00 42.92 42.84 2d89 s ASP 97 CO 0.56 -0.79 1.60 0.50 1.18 0.00 0.00 175.17 178.22 2d89 h LYS 98 N 8.90 0.09 -0.46 8.23 3.11 -1.95 0.80 116.57 135.30 2d89 h LYS 98 Ca -0.28 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 2d89 h LYS 98 Cb 1.10 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.29 2d89 h LYS 98 CO 0.93 0.06 0.30 -0.07 -2.81 0.00 0.00 179.45 177.86 2d89 h LEU 99 N 0.10 0.53 0.42 5.20 3.38 -1.92 -0.37 115.31 122.65 2d89 h LEU 99 Ca 0.77 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.70 2d89 h LEU 99 Cb 1.91 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2d89 h LEU 99 CO -0.74 0.40 -0.20 0.74 0.09 0.00 0.00 178.44 178.73 2d89 h THR 100 N 0.62 0.53 0.15 0.22 2.02 0.15 -2.85 112.91 113.76 2d89 h THR 100 Ca 0.17 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2d89 h THR 100 Cb -0.06 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2d89 h THR 100 CO -0.04 0.07 -0.29 0.58 0.37 0.00 0.00 175.52 176.22 2d89 h VAL 101 N -0.84 0.00 -0.92 3.16 2.07 -1.11 -2.54 116.25 116.07 2d89 h VAL 101 Ca -0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.64 2d89 h VAL 101 Cb 0.55 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.15 2d89 h VAL 101 CO 0.09 0.00 -0.26 0.23 0.02 0.00 0.00 177.57 177.65 2d89 n MET 102 N -4.08 -0.12 -0.14 1.57 2.00 -0.15 -0.31 117.12 115.90 2d89 n MET 102 Ca -0.05 1.42 -0.12 0.00 0.00 0.00 0.00 57.70 58.95 2d89 n MET 102 Cb 0.24 -2.12 -0.07 0.00 0.00 0.00 0.00 33.22 31.26 2d89 n MET 102 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2d89 h THR 103 N 0.00 0.05 -0.12 2.03 2.02 -1.20 -0.42 112.91 115.27 2d89 h THR 103 Ca 0.41 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.63 2d89 h THR 103 Cb 0.64 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 2d89 h THR 103 CO -0.93 0.00 -0.26 0.22 0.37 0.00 0.00 175.52 174.92 2d89 h TYR 104 N -0.36 -0.69 -0.41 3.16 3.20 -0.47 -2.57 116.97 118.82 2d89 h TYR 104 Ca 0.11 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.08 2d89 h TYR 104 Cb 0.59 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 39.10 2d89 h TYR 104 CO -0.68 -0.34 -0.40 -0.07 -1.64 0.00 0.00 178.16 175.03 2d89 h LEU 105 N -0.33 -1.34 -1.48 2.82 3.38 -0.63 0.21 115.31 117.94 2d89 h LEU 105 Ca 0.10 0.21 0.48 0.00 0.09 0.00 0.00 57.88 58.76 2d89 h LEU 105 Cb 0.48 0.60 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 2d89 h LEU 105 CO -0.31 -0.36 0.95 1.88 0.09 0.00 0.00 178.44 180.69 2d89 h TYR 106 N -0.31 0.44 0.54 1.13 0.05 -0.69 0.30 116.97 118.44 2d89 h TYR 106 Ca 0.15 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 2d89 h TYR 106 Cb 0.57 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 38.22 2d89 h TYR 106 CO -0.61 -0.23 -0.26 1.96 -1.05 0.00 0.00 178.16 177.98 2d89 h GLN 107 N 0.02 -0.70 0.12 4.88 1.08 -0.52 -2.14 115.11 117.85 2d89 h GLN 107 Ca 0.87 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 58.14 2d89 h GLN 107 Cb 2.90 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 30.44 2d89 h GLN 107 CO -0.40 -0.39 -0.48 0.82 -0.95 0.00 0.00 178.83 177.43 2d89 h ILE 108 N -0.97 0.07 -0.93 2.54 5.03 -0.33 0.25 117.51 123.17 2d89 h ILE 108 Ca -0.07 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.89 2d89 h ILE 108 Cb 0.63 0.07 -0.12 0.00 -3.03 0.00 0.00 36.82 34.36 2d89 h ILE 108 CO 0.12 0.00 0.46 -0.09 -0.68 0.00 0.00 178.15 177.96 2d89 h ARG 109 N -0.71 0.46 -0.25 2.37 2.43 -1.45 0.24 114.38 117.47 2d89 h ARG 109 Ca 0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2d89 h ARG 109 Cb 0.73 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2d89 h ARG 109 CO -0.27 0.30 -0.09 0.00 -1.51 0.00 0.00 179.97 178.40 2d89 h ALA 110 N 1.71 0.34 0.03 2.80 0.00 -0.58 0.31 119.26 123.87 2d89 h ALA 110 Ca 0.58 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2d89 h ALA 110 Cb 1.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2d89 h ALA 110 CO -0.50 0.17 -0.52 1.25 0.00 0.00 0.00 179.25 179.65 2d89 h HIS 111 N 0.23 -1.52 -0.06 0.00 -0.00 0.15 -2.96 115.15 110.99 2d89 h HIS 111 Ca 0.06 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2d89 h HIS 111 Cb 0.58 0.66 -0.00 0.00 -0.00 0.00 0.00 27.41 28.64 2d89 h HIS 111 CO 0.06 -0.57 -0.07 0.74 -0.00 0.00 0.00 177.93 178.08 2d89 h PHE 112 N -0.69 0.18 -3.51 5.26 0.04 -1.44 -3.40 116.94 113.38 2d89 h PHE 112 Ca 0.01 -0.06 -0.71 0.00 2.80 0.00 0.00 57.97 60.01 2d89 h PHE 112 Cb 0.73 -0.04 -0.28 0.00 2.20 0.00 0.00 35.95 38.57 2d89 h PHE 112 CO -0.49 0.62 -0.50 0.45 -0.60 0.00 0.00 178.31 177.79 2d89 s SER 113 N -5.91 5.59 0.52 2.17 0.15 0.11 -5.08 113.70 111.26 2d89 s SER 113 Ca -0.15 -1.37 -0.22 0.00 0.70 0.00 0.00 55.95 54.90 2d89 s SER 113 Cb 0.03 -1.97 -0.06 0.00 -1.71 0.00 0.00 66.02 62.31 2d89 s SER 113 CO 0.71 -0.48 1.30 -0.94 1.20 0.00 0.00 173.24 175.03 2d89 s SER 114 N 1.90 5.54 0.00 5.45 1.04 -1.14 -3.71 113.70 122.78 2d89 s SER 114 Ca 0.02 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.08 2d89 s SER 114 Cb -0.22 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.28 2d89 s SER 114 CO 0.03 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2d89 n GLY 115 N 0.64 5.11 0.22 7.32 0.00 -1.26 -5.03 105.19 112.18 2d89 n GLY 115 Ca 0.09 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 2d89 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d89 h PRO 116 N 0.00 0.71 -6.57 1.61 0.13 -1.97 -3.44 132.00 122.48 2d89 h PRO 116 Ca 0.00 -0.38 -0.52 0.00 -0.87 0.00 0.00 66.00 64.23 2d89 h PRO 116 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2d89 h PRO 116 CO 0.00 0.99 0.48 -1.54 -0.23 0.00 0.00 178.00 177.70 2d89 s SER 117 N -6.56 7.24 -1.13 1.44 1.04 -1.26 -4.92 113.70 109.55 2d89 s SER 117 Ca -0.12 1.99 -0.24 0.00 0.48 0.00 0.00 55.95 58.06 2d89 s SER 117 Cb 0.09 -2.59 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 2d89 s SER 117 CO 0.83 -0.29 1.98 -0.94 0.98 0.00 0.00 173.24 175.81 2d89 s SER 118 N 0.39 4.69 0.00 7.02 1.04 -1.26 -5.12 113.70 120.46 2d89 s SER 118 Ca 0.52 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2d89 s SER 118 Cb -0.28 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.25 2d89 s SER 118 CO 0.32 -3.41 0.00 0.61 0.98 0.00 0.00 173.24 171.74