#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 4.71 1.07 1.61 0.01 -1.26 -5.11 113.70 114.74 2d89 s SER 2 Ca 0.00 -0.02 -0.14 0.00 1.31 0.00 0.00 55.95 57.11 2d89 s SER 2 Cb 0.00 -1.19 0.17 0.00 0.21 0.00 0.00 66.02 65.21 2d89 s SER 2 CO 0.00 0.35 0.70 -1.20 0.41 0.00 0.00 173.24 173.51 2d89 n SER 3 N 2.12 -1.49 0.00 2.44 7.64 -1.26 -4.85 113.62 118.23 2d89 n SER 3 Ca -0.18 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2d89 n SER 3 Cb 0.53 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2d89 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d89 n GLY 4 N 1.17 0.44 3.27 0.23 0.00 -1.26 -5.07 105.19 103.97 2d89 n GLY 4 Ca 0.05 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 2d89 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d89 s SER 5 N -4.00 -0.29 0.08 1.61 0.15 -1.26 -5.16 113.70 104.83 2d89 s SER 5 Ca 0.00 0.99 0.05 0.00 0.70 0.00 0.00 55.95 57.68 2d89 s SER 5 Cb 0.00 1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 65.67 2d89 s SER 5 CO 0.00 -0.23 -0.02 -0.55 1.20 0.00 0.00 173.24 173.63 2d89 s SER 6 N 2.63 4.89 0.38 5.45 0.15 -1.26 -5.03 113.70 120.91 2d89 s SER 6 Ca -0.01 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2d89 s SER 6 Cb -0.12 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2d89 s SER 6 CO -0.13 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2d89 n GLY 7 N 0.75 -2.23 3.77 9.45 0.00 -1.26 -4.81 105.19 110.85 2d89 n GLY 7 Ca -0.12 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.66 3.87 0.37 1.61 0.04 -1.26 -5.04 135.00 131.92 2d89 s PRO 8 Ca 0.00 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.81 2d89 s PRO 8 Cb 0.00 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 32.04 2d89 s PRO 8 CO 0.00 -0.47 0.58 -1.71 0.04 0.00 0.00 177.00 175.44 2d89 n ASN 9 N -0.26 -1.63 -3.77 6.66 2.85 -1.26 -5.10 115.26 112.76 2d89 n ASN 9 Ca 0.06 -2.86 -0.20 0.00 -0.11 0.00 0.00 54.58 51.47 2d89 n ASN 9 Cb 0.47 2.93 0.12 0.00 1.24 0.00 0.00 39.78 44.54 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2d89 n ALA 10 N -0.62 -1.04 -0.40 5.20 0.00 -1.26 -4.39 120.51 118.01 2d89 n ALA 10 Ca -0.15 -0.97 0.33 0.00 0.00 0.00 0.00 53.44 52.65 2d89 n ALA 10 Cb 0.60 -0.84 0.61 0.00 0.00 0.00 0.00 19.45 19.82 2d89 n ALA 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d89 h SER 11 N -2.32 0.31 -0.92 0.00 0.87 -2.01 0.21 113.55 109.69 2d89 h SER 11 Ca -0.27 0.16 0.23 0.00 -1.23 0.00 0.00 61.79 60.68 2d89 h SER 11 Cb 0.82 0.14 -0.17 0.00 -0.44 0.00 0.00 62.40 62.76 2d89 h SER 11 CO 0.17 -0.20 -0.01 -0.61 -0.53 0.00 0.00 176.83 175.65 2d89 h GLN 12 N 0.12 0.04 -1.01 2.24 -0.00 -1.99 0.83 115.11 115.35 2d89 h GLN 12 Ca 0.80 -0.00 0.23 0.00 -0.00 0.00 0.00 58.65 59.68 2d89 h GLN 12 Cb 2.33 -0.01 -0.11 0.00 0.00 0.00 0.00 27.48 29.69 2d89 h GLN 12 CO -0.50 0.03 0.61 0.66 0.00 0.00 0.00 178.83 179.63 2d89 h SER 13 N 0.04 0.67 0.13 -0.69 4.64 -0.78 0.65 113.55 118.21 2d89 h SER 13 Ca 0.53 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.95 2d89 h SER 13 Cb 1.01 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2d89 h SER 13 CO -0.85 0.17 -0.06 0.25 -0.87 0.00 0.00 176.83 175.46 2d89 h LEU 14 N 0.61 -0.15 -1.65 5.97 5.85 0.50 -1.52 115.31 124.92 2d89 h LEU 14 Ca 0.61 0.01 0.44 0.00 0.84 0.00 0.00 57.88 59.77 2d89 h LEU 14 Cb 1.16 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 2d89 h LEU 14 CO -0.40 0.21 0.97 0.25 -0.34 0.00 0.00 178.44 179.14 2d89 h LEU 15 N -0.83 0.16 0.13 2.25 5.85 -0.97 0.40 115.31 122.30 2d89 h LEU 15 Ca -0.02 0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 2d89 h LEU 15 Cb 0.14 0.06 0.02 0.00 0.37 0.00 0.00 40.66 41.25 2d89 h LEU 15 CO 0.03 -0.08 -0.87 0.58 -0.34 0.00 0.00 178.44 177.76 2d89 h VAL 16 N 0.08 1.45 -0.90 1.05 2.07 -0.95 -3.11 116.25 115.94 2d89 h VAL 16 Ca 0.78 -2.51 0.18 0.00 0.82 0.00 0.00 66.70 65.98 2d89 h VAL 16 Cb 2.70 3.13 -0.17 0.00 -1.52 0.00 0.00 31.29 35.43 2d89 h VAL 16 CO -0.24 0.71 -0.21 -0.25 0.02 0.00 0.00 177.57 177.60 2d89 h TRP 17 N -0.40 -0.45 0.33 1.57 7.01 0.88 0.34 115.95 125.23 2d89 h TRP 17 Ca -0.16 0.08 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 2d89 h TRP 17 Cb 1.63 0.34 0.00 0.00 -2.10 0.00 0.00 29.16 29.03 2d89 h TRP 17 CO 0.19 -0.39 -0.16 0.00 -2.79 0.00 0.00 178.44 175.29 2d89 h LYS 19 N -0.90 0.00 0.00 0.00 1.57 -1.17 0.19 116.57 116.26 2d89 h LYS 19 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2d89 h LYS 19 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2d89 h LYS 19 CO 0.07 0.00 -0.08 1.49 -0.57 0.00 0.00 179.45 180.36 2d89 h GLU 20 N 0.00 0.00 0.00 3.15 4.57 -0.21 -3.12 114.58 118.97 2d89 h GLU 20 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2d89 h GLU 20 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2d89 h GLU 20 CO 0.00 0.41 0.00 1.33 -1.18 0.00 0.00 179.01 179.57 2d89 n VAL 21 N -4.69 0.91 -1.14 0.32 0.24 -0.42 -2.04 118.33 111.51 2d89 n VAL 21 Ca -0.05 0.28 0.01 0.00 -2.04 0.00 0.00 64.34 62.53 2d89 n VAL 21 Cb 0.22 -1.18 0.25 0.00 -1.47 0.00 0.00 33.84 31.67 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 -2.07 2.55 -1.97 3.34 -2.24 0.53 -4.73 114.28 109.69 2d89 n THR 22 Ca 0.02 -2.06 -0.42 0.00 -2.27 0.00 0.00 64.05 59.32 2d89 n THR 22 Cb 0.20 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 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 -3.00 4.21 -1.06 -0.78 -2.85 -0.86 -2.86 119.74 112.54 2d89 s LYS 23 Ca 0.47 2.27 -0.00 0.00 -1.00 0.00 0.00 55.97 57.71 2d89 s LYS 23 Cb 0.39 -3.58 -0.00 0.00 -2.06 0.00 0.00 37.83 32.57 2d89 s LYS 23 CO 0.08 -0.71 0.89 0.09 0.10 0.00 0.00 175.35 175.80 2d89 n ASN 24 N 5.53 -2.26 -4.02 0.03 3.02 -1.26 -5.03 115.26 111.27 2d89 n ASN 24 Ca 0.15 -0.56 -0.16 0.00 -0.03 0.00 0.00 54.58 53.99 2d89 n ASN 24 Cb 0.41 -4.62 0.02 0.00 -0.61 0.00 0.00 39.78 34.98 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 -3.74 -1.71 -2.65 3.10 4.02 -1.14 -5.04 117.16 110.00 2d89 n TYR 25 Ca -0.25 -1.56 -0.42 0.00 -0.01 0.00 0.00 57.90 55.67 2d89 n TYR 25 Cb 0.65 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 2d89 n TYR 25 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2d89 s ARG 26 N -3.72 3.32 -1.13 -0.72 3.52 -1.26 -4.26 118.95 114.71 2d89 s ARG 26 Ca 0.33 -0.74 -0.14 0.00 -0.13 0.00 0.00 55.73 55.04 2d89 s ARG 26 Cb -0.03 -4.58 -0.03 0.00 -1.56 0.00 0.00 34.95 28.76 2d89 s ARG 26 CO 0.21 -2.06 0.82 0.41 -0.81 0.00 0.00 175.30 173.87 2d89 n GLY 27 N 5.79 -0.98 3.03 8.12 0.00 -1.26 -4.96 105.19 114.93 2d89 n GLY 27 Ca 0.12 0.47 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.46 3.22 -0.67 1.61 1.01 -1.26 -4.95 120.40 115.90 2d89 s VAL 28 Ca 0.43 -3.20 0.03 0.00 0.00 0.00 0.00 61.98 59.24 2d89 s VAL 28 Cb -0.12 -3.14 0.16 0.00 0.00 0.00 0.00 36.38 33.28 2d89 s VAL 28 CO 0.82 -0.85 0.45 -0.75 0.00 0.00 0.00 175.10 174.77 2d89 s LYS 29 N -0.26 2.42 -0.64 2.72 2.20 -1.26 -4.88 119.74 120.04 2d89 s LYS 29 Ca 0.18 -3.08 -0.28 0.00 -0.36 0.00 0.00 55.97 52.43 2d89 s LYS 29 Cb -0.22 -3.47 -0.29 0.00 -1.51 0.00 0.00 37.83 32.34 2d89 s LYS 29 CO -0.02 -1.22 1.89 -0.89 -0.36 0.00 0.00 175.35 174.75 2d89 n ILE 30 N 2.44 0.09 0.06 5.43 -0.00 -1.26 -4.53 119.36 121.59 2d89 n ILE 30 Ca 0.15 -0.09 -0.02 0.00 -0.00 0.00 0.00 62.75 62.79 2d89 n ILE 30 Cb 0.34 -2.01 -0.06 0.00 -0.00 0.00 0.00 39.64 37.91 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 5.95 0.85 -4.33 1.39 1.03 -1.96 -3.48 112.91 112.34 2d89 h THR 31 Ca 0.12 -2.38 -0.30 0.00 -0.01 0.00 0.00 66.41 63.84 2d89 h THR 31 Cb 0.87 2.33 -0.10 0.00 -1.07 0.00 0.00 68.15 70.18 2d89 h THR 31 CO 1.45 0.48 -0.31 0.54 -0.01 0.00 0.00 175.52 177.68 2d89 s ASN 32 N -6.17 0.95 0.00 0.00 2.20 -1.26 -5.05 114.94 105.60 2d89 s ASN 32 Ca -0.00 -1.50 0.09 0.00 -0.94 0.00 0.00 52.86 50.50 2d89 s ASN 32 Cb 0.08 0.60 0.23 0.00 -2.00 0.00 0.00 41.25 40.17 2d89 s ASN 32 CO 0.79 -1.18 1.16 0.49 -2.94 0.00 0.00 177.10 175.43 2d89 n PHE 33 N -0.53 0.34 -0.01 1.54 3.72 -1.26 -4.24 117.46 117.03 2d89 n PHE 33 Ca 0.03 -0.44 -0.03 0.00 -0.05 0.00 0.00 57.45 56.95 2d89 n PHE 33 Cb 0.62 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.37 1.21 -0.02 4.37 -2.24 -1.26 -4.58 114.28 112.13 2d89 n THR 34 Ca 0.09 0.29 -0.06 0.00 -2.27 0.00 0.00 64.05 62.10 2d89 n THR 34 Cb 0.38 -1.82 -0.05 0.00 -2.10 0.00 0.00 70.33 66.74 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 -0.36 0.57 -1.68 4.28 1.35 -1.90 0.20 112.91 115.37 2d89 h THR 35 Ca 0.00 -1.31 0.50 0.00 -0.55 0.00 0.00 66.41 65.05 2d89 h THR 35 Cb 0.36 1.05 -0.08 0.00 -1.73 0.00 0.00 68.15 67.75 2d89 h THR 35 CO 0.00 0.18 1.19 -0.24 -0.25 0.00 0.00 175.52 176.41 2d89 n SER 36 N -4.79 0.04 -0.01 5.36 2.88 -1.26 0.24 113.62 116.07 2d89 n SER 36 Ca -0.04 0.97 0.07 0.00 -1.33 0.00 0.00 58.87 58.54 2d89 n SER 36 Cb 0.18 -0.48 -0.11 0.00 -0.75 0.00 0.00 64.21 63.05 2d89 n SER 36 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2d89 n TRP 37 N -3.89 0.00 -0.34 0.66 7.02 -1.24 -4.12 117.44 115.52 2d89 n TRP 37 Ca 0.40 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 57.00 2d89 n TRP 37 Cb 1.75 -0.30 0.25 0.00 -2.42 0.00 0.00 31.31 30.59 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 -0.08 0.04 -0.99 0.63 0.65 -0.97 116.66 113.98 2d89 n ARG 38 Ca -0.02 1.48 -0.10 0.00 -0.92 0.00 0.00 57.85 58.29 2d89 n ARG 38 Cb 0.35 -2.32 -0.08 0.00 0.45 0.00 0.00 32.46 30.87 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 -0.16 0.00 6.15 7.08 -1.80 -3.46 115.58 123.39 2d89 h ASN 39 Ca 0.56 -0.38 0.00 0.00 -3.08 0.00 0.00 56.30 53.40 2d89 h ASN 39 Cb 1.10 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 37.38 2d89 h ASN 39 CO -0.94 0.43 0.00 0.61 -2.08 0.00 0.00 177.43 175.45 2d89 n GLY 40 N 0.77 1.73 0.09 9.14 0.00 -0.14 -3.54 105.19 113.23 2d89 n GLY 40 Ca -0.07 0.00 -0.02 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 -0.14 -1.07 0.99 3.38 -1.81 -2.99 115.31 113.68 2d89 h LEU 41 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.21 2d89 h LEU 41 Cb 0.00 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 2d89 h LEU 41 CO 0.00 0.13 0.61 0.28 0.09 0.00 0.00 178.44 179.55 2d89 h SER 42 N -0.62 0.67 0.47 -0.43 0.02 -1.93 0.28 113.55 112.00 2d89 h SER 42 Ca -0.02 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2d89 h SER 42 Cb 0.12 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2d89 h SER 42 CO 0.03 0.15 -0.30 -0.26 -1.14 0.00 0.00 176.83 175.31 2d89 h PHE 43 N 0.60 -0.79 -0.41 3.45 0.04 -1.89 -1.15 116.94 116.79 2d89 h PHE 43 Ca 0.62 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 61.31 2d89 h PHE 43 Cb 1.18 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.59 2d89 h PHE 43 CO -0.00 -0.46 -0.02 0.00 -0.60 0.00 0.00 178.31 177.22 2d89 h ALA 45 N 1.35 0.47 0.34 0.00 0.00 -0.22 -0.72 119.26 120.47 2d89 h ALA 45 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2d89 h ALA 45 Cb 0.43 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2d89 h ALA 45 CO 0.02 -0.17 -0.21 0.82 0.00 0.00 0.00 179.25 179.70 2d89 h ILE 46 N 0.39 0.00 -0.59 0.00 2.04 -1.03 0.80 117.51 119.12 2d89 h ILE 46 Ca 0.16 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.19 2d89 h ILE 46 Cb 0.07 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 2d89 h ILE 46 CO -0.11 0.00 0.58 0.25 0.00 0.00 0.00 178.15 178.87 2d89 h LEU 47 N -0.52 0.00 -0.02 1.44 5.85 -1.52 0.81 115.31 121.35 2d89 h LEU 47 Ca -0.05 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2d89 h LEU 47 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2d89 h LEU 47 CO 0.04 0.00 -0.67 -0.74 -0.34 0.00 0.00 178.44 176.73 2d89 h HIS 48 N 0.00 0.00 -0.76 1.25 2.76 -0.54 -2.47 115.15 115.39 2d89 h HIS 48 Ca 0.28 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.52 2d89 h HIS 48 Cb 1.45 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.35 2d89 h HIS 48 CO 0.00 0.67 0.45 1.25 -1.30 0.00 0.00 177.93 179.00 2d89 h HIS 49 N 0.00 0.82 0.00 5.26 -0.00 0.31 -2.30 115.15 119.25 2d89 h HIS 49 Ca -0.01 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.26 2d89 h HIS 49 Cb 1.51 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 2d89 h HIS 49 CO 0.00 0.40 -0.75 0.74 -0.00 0.00 0.00 177.93 178.32 2d89 h PHE 50 N 0.81 0.00 -3.40 5.26 0.04 -1.62 -3.43 116.94 114.59 2d89 h PHE 50 Ca 0.34 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.47 2d89 h PHE 50 Cb 0.21 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 37.95 2d89 h PHE 50 CO -0.06 1.11 -0.64 0.50 -0.60 0.00 0.00 178.31 178.62 2d89 s ARG 51 N -2.26 1.92 0.00 1.51 3.00 -0.93 -4.93 118.95 117.25 2d89 s ARG 51 Ca -0.23 -2.55 0.09 0.00 -1.00 0.00 0.00 55.73 52.04 2d89 s ARG 51 Cb 0.03 -3.29 0.55 0.00 0.00 0.00 0.00 34.95 32.24 2d89 s ARG 51 CO 0.55 -1.09 1.00 -0.35 0.00 0.00 0.00 175.30 175.40 2d89 n PRO 52 N 3.22 0.49 -0.02 5.12 -0.04 -0.87 -2.05 135.00 140.86 2d89 n PRO 52 Ca 0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2d89 n PRO 52 Cb 0.33 -1.30 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.80 2.54 -0.25 3.54 -0.08 -1.26 -4.58 116.55 115.66 2d89 n ASP 53 Ca 0.07 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.30 2d89 n ASP 53 Cb 0.03 1.30 0.06 0.00 2.34 0.00 0.00 41.12 44.85 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2d89 h LEU 54 N 0.00 0.82 0.00 -2.67 3.38 -1.75 -3.44 115.31 111.65 2d89 h LEU 54 Ca -0.07 -0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.27 2d89 h LEU 54 Cb 0.77 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 2d89 h LEU 54 CO 0.00 0.61 -0.39 -0.38 0.09 0.00 0.00 178.44 178.37 2d89 n ILE 55 N -4.58 0.00 -1.50 1.22 -0.00 -1.26 -5.00 119.36 108.24 2d89 n ILE 55 Ca 0.06 -2.22 -0.07 0.00 -0.00 0.00 0.00 62.75 60.52 2d89 n ILE 55 Cb 0.03 0.28 0.18 0.00 -0.00 0.00 0.00 39.64 40.13 2d89 n ILE 55 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2d89 n ASP 56 N -1.49 2.75 0.33 4.38 8.00 -1.26 -4.70 116.55 124.56 2d89 n ASP 56 Ca -0.14 -3.80 0.18 0.00 0.71 0.00 0.00 54.79 51.74 2d89 n ASP 56 Cb 0.61 -0.63 0.95 0.00 -0.02 0.00 0.00 41.12 42.02 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 1.10 0.00 0.00 1.24 5.03 -1.89 0.29 116.97 122.74 2d89 h TYR 57 Ca 0.25 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 2d89 h TYR 57 Cb 1.62 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.90 2d89 h TYR 57 CO 1.05 0.00 -0.07 1.57 -1.32 0.00 0.00 178.16 179.39 2d89 h LYS 58 N 0.00 0.00 0.00 1.82 2.10 -1.89 -3.08 116.57 115.52 2d89 h LYS 58 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2d89 h LYS 58 Cb 0.43 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.72 2d89 h LYS 58 CO 0.00 0.07 -0.37 0.45 -2.00 0.00 0.00 179.45 177.60 2d89 n SER 59 N -3.24 1.05 -3.05 7.07 2.88 0.90 -5.08 113.62 114.15 2d89 n SER 59 Ca -0.00 -2.52 -0.14 0.00 -1.33 0.00 0.00 58.87 54.88 2d89 n SER 59 Cb 0.31 -0.31 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.54 0.00 -3.55 2.46 4.77 -0.53 -5.09 117.00 114.51 2d89 n LEU 60 Ca 0.08 -0.83 -0.06 0.00 -0.03 0.00 0.00 56.01 55.17 2d89 n LEU 60 Cb 0.72 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 2d89 n LEU 60 CO -0.00 -0.91 0.86 0.20 -1.33 0.00 0.00 177.39 176.21 2d89 s ASN 61 N -3.33 -0.24 0.00 -1.43 0.02 -1.26 -5.01 114.94 103.70 2d89 s ASN 61 Ca 0.37 0.00 0.10 0.00 -1.02 0.00 0.00 52.86 52.31 2d89 s ASN 61 Cb -0.01 0.25 0.61 0.00 0.02 0.00 0.00 41.25 42.12 2d89 s ASN 61 CO 0.25 -0.41 1.05 -0.81 0.02 0.00 0.00 177.10 177.21 2d89 n PRO 62 N -0.15 0.49 0.00 -0.60 -0.04 -1.26 -2.57 135.00 130.87 2d89 n PRO 62 Ca -0.04 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2d89 n PRO 62 Cb 0.60 -1.33 0.61 0.00 -0.04 0.00 0.00 33.50 33.34 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 -0.83 0.08 -3.94 0.54 -0.00 -1.26 -4.64 117.38 107.32 2d89 n GLN 63 Ca 0.08 -0.01 -0.35 0.00 -0.00 0.00 0.00 57.00 56.73 2d89 n GLN 63 Cb 0.04 -1.50 -0.14 0.00 -0.00 0.00 0.00 30.24 28.63 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 -2.93 4.50 -0.26 2.61 1.01 -1.06 -4.96 116.67 115.58 2d89 s ASP 64 Ca 0.16 -0.98 -0.02 0.00 0.71 0.00 0.00 52.55 52.42 2d89 s ASP 64 Cb 0.19 -1.68 -0.15 0.00 1.01 0.00 0.00 42.92 42.28 2d89 s ASP 64 CO 0.53 -0.17 -0.26 -0.38 0.21 0.00 0.00 175.17 175.11 2d89 n ILE 65 N 4.66 1.47 0.09 0.77 5.41 -1.26 -3.85 119.36 126.65 2d89 n ILE 65 Ca -0.15 -0.51 -0.22 0.00 1.00 0.00 0.00 62.75 62.86 2d89 n ILE 65 Cb 0.46 -1.53 -0.15 0.00 -0.71 0.00 0.00 39.64 37.71 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 -0.26 0.40 0.40 0.38 3.64 -1.77 -3.30 116.57 116.07 2d89 h LYS 66 Ca -0.60 -0.69 -0.02 0.00 -1.27 0.00 0.00 60.65 58.07 2d89 h LYS 66 Cb 1.81 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 2d89 h LYS 66 CO -0.18 1.33 -0.19 1.49 -2.27 0.00 0.00 179.45 179.63 2d89 h GLU 67 N -0.11 -0.52 -0.76 1.90 4.81 -1.88 -1.52 114.58 116.50 2d89 h GLU 67 Ca -0.22 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.17 2d89 h GLU 67 Cb 1.91 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 31.28 2d89 h GLU 67 CO 0.20 -0.35 -0.26 0.09 -0.73 0.00 0.00 179.01 177.96 2d89 n ASN 68 N -4.01 -0.43 0.29 1.04 3.02 -1.25 -0.08 115.26 113.84 2d89 n ASN 68 Ca -0.07 1.31 -0.16 0.00 -0.03 0.00 0.00 54.58 55.64 2d89 n ASN 68 Cb 0.21 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.97 2d89 n ASN 68 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2d89 h ASN 69 N 0.00 -0.61 -0.92 6.41 2.35 -1.61 -2.98 115.58 118.23 2d89 h ASN 69 Ca 0.29 -0.04 0.25 0.00 -0.55 0.00 0.00 56.30 56.25 2d89 h ASN 69 Cb 0.48 0.16 -0.14 0.00 0.05 0.00 0.00 38.32 38.87 2d89 h ASN 69 CO -0.76 -0.32 0.37 0.50 -1.65 0.00 0.00 177.43 175.57 2d89 h LYS 70 N -0.87 0.30 -0.81 0.81 3.11 0.60 0.35 116.57 120.05 2d89 h LYS 70 Ca -0.07 -0.02 0.11 0.00 -2.81 0.00 0.00 60.65 57.86 2d89 h LYS 70 Cb 0.61 -0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 31.69 2d89 h LYS 70 CO 0.12 0.20 0.44 0.87 -2.81 0.00 0.00 179.45 178.27 2d89 h LYS 71 N 0.31 0.69 0.67 1.90 1.57 -0.43 -2.03 116.57 119.24 2d89 h LYS 71 Ca 0.60 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.31 2d89 h LYS 71 Cb 1.23 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.39 2d89 h LYS 71 CO -0.60 0.45 -0.32 0.00 -0.57 0.00 0.00 179.45 178.41 2d89 h ALA 72 N 1.48 -0.90 -0.52 3.86 0.00 -0.25 -2.83 119.26 120.10 2d89 h ALA 72 Ca 0.41 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.27 2d89 h ALA 72 Cb 0.46 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2d89 h ALA 72 CO -0.29 -0.86 0.79 1.88 0.00 0.00 0.00 179.25 180.77 2d89 h TYR 73 N -1.19 0.00 0.06 0.00 0.05 -1.17 0.93 116.97 115.64 2d89 h TYR 73 Ca -0.09 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.41 2d89 h TYR 73 Cb 0.71 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.47 2d89 h TYR 73 CO 0.00 0.00 -1.13 -0.44 -1.05 0.00 0.00 178.16 175.54 2d89 h ASP 74 N 0.00 0.86 0.10 3.88 3.32 -1.14 -2.14 116.42 121.30 2d89 h ASP 74 Ca 0.25 -0.74 -0.19 0.00 0.02 0.00 0.00 57.03 56.37 2d89 h ASP 74 Cb 1.82 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 41.11 2d89 h ASP 74 CO -0.00 1.54 -0.89 1.23 -1.72 0.00 0.00 179.24 179.40 2d89 h GLY 75 N 0.46 0.25 0.92 2.75 0.00 0.93 -2.88 103.07 105.51 2d89 h GLY 75 Ca -0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 2d89 h GLY 75 CO 0.22 0.57 0.04 0.74 0.00 0.00 0.00 176.54 178.11 2d89 h PHE 76 N -0.48 0.66 0.00 5.60 0.04 -0.87 -2.50 116.94 119.38 2d89 h PHE 76 Ca -0.18 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.49 2d89 h PHE 76 Cb 1.56 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.53 2d89 h PHE 76 CO 0.18 0.68 0.00 0.00 -0.60 0.00 0.00 178.31 178.57 2d89 h ALA 77 N 0.90 1.00 -0.15 2.45 0.00 -1.46 -1.42 119.26 120.57 2d89 h ALA 77 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2d89 h ALA 77 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2d89 h ALA 77 CO 0.01 0.00 -0.07 1.03 0.00 0.00 0.00 179.25 180.22 2d89 h SER 78 N 0.00 0.32 -0.01 0.00 0.87 -1.21 -3.16 113.55 110.36 2d89 h SER 78 Ca 0.00 -0.41 -0.12 0.00 -1.23 0.00 0.00 61.79 60.03 2d89 h SER 78 Cb 0.49 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2d89 h SER 78 CO 0.00 0.66 -0.37 0.16 -0.53 0.00 0.00 176.83 176.75 2d89 h ILE 79 N -0.03 1.30 0.00 2.23 3.07 -1.47 -3.46 117.51 119.15 2d89 h ILE 79 Ca 0.03 -1.50 0.00 0.00 1.55 0.00 0.00 64.86 64.94 2d89 h ILE 79 Cb 0.54 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 2d89 h ILE 79 CO 0.02 0.47 0.00 0.61 -1.05 0.00 0.00 178.15 178.20 2d89 n GLY 80 N -0.12 0.00 3.21 0.16 0.00 -1.16 -5.11 105.19 102.16 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 4.47 0.17 -0.61 1.01 -0.55 -4.98 121.20 120.71 2d89 s ILE 81 Ca 0.00 -2.42 -0.27 0.00 0.00 0.00 0.00 60.65 57.95 2d89 s ILE 81 Cb 0.00 -3.87 -0.16 0.00 0.01 0.00 0.00 42.46 38.44 2d89 s ILE 81 CO 0.00 -0.89 0.54 -1.20 0.00 0.00 0.00 174.94 173.38 2d89 n SER 82 N 4.11 -1.07 -4.69 3.58 7.64 -1.26 -3.71 113.62 118.21 2d89 n SER 82 Ca 0.04 1.07 -0.41 0.00 1.01 0.00 0.00 58.87 60.58 2d89 n SER 82 Cb 0.42 -0.89 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 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 -0.86 4.35 -0.08 1.43 0.52 -1.26 -4.93 118.95 118.13 2d89 s ARG 83 Ca 0.62 0.97 -0.05 0.00 -0.52 0.00 0.00 55.73 56.76 2d89 s ARG 83 Cb -0.90 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.00 2d89 s ARG 83 CO 0.53 -0.18 -0.12 1.28 0.02 0.00 0.00 175.30 176.83 2d89 n LEU 84 N 4.66 0.77 -4.89 2.53 4.77 -1.26 -5.04 117.00 118.54 2d89 n LEU 84 Ca 0.02 0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 2d89 n LEU 84 Cb 0.50 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2d89 n LEU 84 CO 0.48 0.10 0.29 -0.22 -1.33 0.00 0.00 177.39 176.71 2d89 s LEU 85 N -6.63 3.99 0.04 2.23 2.96 -1.26 -5.10 118.68 114.92 2d89 s LEU 85 Ca -0.13 0.89 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 2d89 s LEU 85 Cb 0.05 -3.72 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2d89 s LEU 85 CO 0.17 -0.25 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.26 2d89 s GLU 86 N -3.57 2.43 -0.02 1.98 0.41 -1.26 -5.05 118.70 113.62 2d89 s GLU 86 Ca 0.47 -0.82 -0.25 0.00 -0.41 0.00 0.00 54.97 53.95 2d89 s GLU 86 Cb -0.11 -2.45 -0.20 0.00 -1.78 0.00 0.00 34.13 29.60 2d89 s GLU 86 CO 0.29 0.57 1.23 -1.00 -0.49 0.00 0.00 175.26 175.86 2d89 h PRO 87 N 4.14 -0.05 -0.39 0.39 0.13 -1.93 -3.24 132.00 131.05 2d89 h PRO 87 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.41 0.23 0.77 -0.23 0.00 0.00 178.00 179.72 2d89 h SER 88 N -0.54 0.47 -0.82 1.44 0.02 -1.90 -2.93 113.55 109.28 2d89 h SER 88 Ca -0.01 -0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.03 2d89 h SER 88 Cb 0.49 -0.12 -0.15 0.00 0.14 0.00 0.00 62.40 62.76 2d89 h SER 88 CO 0.01 0.39 -0.29 -0.78 -1.14 0.00 0.00 176.83 175.02 2d89 h ASP 89 N 0.51 -1.06 -1.01 3.07 3.58 -1.99 0.68 116.42 120.20 2d89 h ASP 89 Ca 0.14 0.26 0.23 0.00 0.42 0.00 0.00 57.03 58.08 2d89 h ASP 89 Cb 0.01 0.60 -0.11 0.00 1.72 0.00 0.00 39.33 41.55 2d89 h ASP 89 CO -0.03 -0.29 0.62 0.24 -2.88 0.00 0.00 179.24 176.90 2d89 h MET 90 N -0.04 0.57 -0.11 0.28 2.86 -1.54 -0.38 114.93 116.57 2d89 h MET 90 Ca 0.34 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 2d89 h MET 90 Cb 0.60 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2d89 h MET 90 CO -0.85 0.38 -0.14 0.28 1.06 0.00 0.00 176.91 177.63 2d89 h VAL 91 N 0.59 1.37 0.23 -2.22 2.07 0.25 -3.31 116.25 115.23 2d89 h VAL 91 Ca 0.61 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2d89 h VAL 91 Cb 1.19 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 2d89 h VAL 91 CO -0.40 0.39 -0.45 -0.07 0.02 0.00 0.00 177.57 177.06 2d89 h LEU 92 N -0.13 -1.30-10.16 2.57 3.38 0.24 -3.42 115.31 106.48 2d89 h LEU 92 Ca 0.01 0.13 -0.50 0.00 0.09 0.00 0.00 57.88 57.61 2d89 h LEU 92 Cb 0.69 0.47 0.01 0.00 0.09 0.00 0.00 40.66 41.92 2d89 h LEU 92 CO 0.03 -0.54 0.07 -1.48 0.09 0.00 0.00 178.44 176.62 2d89 s LEU 93 N -10.23 3.84 -0.00 1.67 0.05 -0.52 -5.05 118.68 108.45 2d89 s LEU 93 Ca -0.17 1.03 -0.01 0.00 0.05 0.00 0.00 54.13 55.03 2d89 s LEU 93 Cb 0.06 -3.91 -0.01 0.00 -2.05 0.00 0.00 46.19 40.28 2d89 s LEU 93 CO 0.62 -0.39 0.35 0.00 -0.55 0.00 0.00 176.35 176.39 2d89 h ALA 94 N 1.20 -0.34 -3.07 1.48 0.00 -1.82 -3.44 119.26 113.26 2d89 h ALA 94 Ca -0.47 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 2d89 h ALA 94 Cb 1.19 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 2d89 h ALA 94 CO 0.64 -0.34 -0.61 0.42 0.00 0.00 0.00 179.25 179.36 2d89 s ILE 95 N -1.79 4.40 0.69 0.00 -1.09 -1.26 -4.98 121.20 117.17 2d89 s ILE 95 Ca -0.01 -0.15 -0.14 0.00 -2.23 0.00 0.00 60.65 58.12 2d89 s ILE 95 Cb 0.00 -3.03 0.02 0.00 -1.58 0.00 0.00 42.46 37.87 2d89 s ILE 95 CO 0.02 0.38 1.11 -2.16 -1.23 0.00 0.00 174.94 173.06 2d89 s PRO 96 N 1.17 2.65 -0.41 2.79 0.04 -1.26 -4.94 135.00 135.03 2d89 s PRO 96 Ca 0.04 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 2d89 s PRO 96 Cb -0.14 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 2d89 s PRO 96 CO 0.03 -1.36 1.61 -0.51 0.04 0.00 0.00 177.00 176.80 2d89 s ASP 97 N -2.81 6.04 0.21 6.66 1.11 -1.26 -4.78 116.67 121.85 2d89 s ASP 97 Ca 0.65 0.92 -0.16 0.00 0.18 0.00 0.00 52.55 54.14 2d89 s ASP 97 Cb -0.20 -2.53 0.22 0.00 1.07 0.00 0.00 42.92 41.48 2d89 s ASP 97 CO 0.46 -1.65 1.60 0.50 1.18 0.00 0.00 175.17 177.25 2d89 h LYS 98 N 11.98 -0.07 -0.36 8.23 3.64 -1.92 -0.99 116.57 137.08 2d89 h LYS 98 Ca -0.30 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2d89 h LYS 98 Cb 1.13 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.88 2d89 h LYS 98 CO 1.09 -0.04 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.71 2d89 h LEU 99 N -0.07 -1.45 0.00 5.20 3.38 -1.93 -0.29 115.31 120.16 2d89 h LEU 99 Ca 0.30 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2d89 h LEU 99 Cb 0.54 0.62 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2d89 h LEU 99 CO -0.73 -0.38 0.00 0.41 0.09 0.00 0.00 178.44 177.83 2d89 n THR 100 N -5.42 0.00 -0.37 0.22 -1.04 -0.44 -1.18 114.28 106.07 2d89 n THR 100 Ca -0.01 1.45 -0.06 0.00 -2.04 0.00 0.00 64.05 63.38 2d89 n THR 100 Cb 0.35 -2.23 -0.04 0.00 -1.82 0.00 0.00 70.33 66.59 2d89 n THR 100 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2d89 n VAL 101 N -2.24 -0.56 -0.29 12.58 0.31 -0.84 0.11 118.33 127.40 2d89 n VAL 101 Ca 0.00 2.15 0.10 0.00 -0.01 0.00 0.00 64.34 66.58 2d89 n VAL 101 Cb 0.00 -2.73 0.25 0.00 -0.91 0.00 0.00 33.84 30.45 2d89 n VAL 101 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2d89 h MET 102 N 0.00 0.40 -0.98 5.55 2.07 -0.87 0.21 114.93 121.31 2d89 h MET 102 Ca 0.21 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.88 2d89 h MET 102 Cb 0.44 -0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 30.02 2d89 h MET 102 CO -0.87 0.26 0.64 1.15 1.07 0.00 0.00 176.91 179.16 2d89 h THR 103 N 0.41 1.10 -0.11 2.22 2.02 0.23 -1.41 112.91 117.37 2d89 h THR 103 Ca 0.50 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 67.14 2d89 h THR 103 Cb 0.87 -0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2d89 h THR 103 CO -0.49 0.21 -0.48 0.22 0.37 0.00 0.00 175.52 175.36 2d89 h TYR 104 N 1.16 0.69 -0.18 3.16 3.20 0.04 -3.29 116.97 121.74 2d89 h TYR 104 Ca 0.42 -0.30 0.05 0.00 3.14 0.00 0.00 58.73 62.04 2d89 h TYR 104 Cb 0.15 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 2d89 h TYR 104 CO -0.00 1.07 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.40 2d89 h LEU 105 N 0.12 -0.38 -1.98 2.82 3.38 -0.51 -0.50 115.31 118.25 2d89 h LEU 105 Ca -0.03 0.08 0.37 0.00 0.09 0.00 0.00 57.88 58.39 2d89 h LEU 105 Cb 1.11 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 2d89 h LEU 105 CO 0.10 -0.15 0.91 1.88 0.09 0.00 0.00 178.44 181.26 2d89 h TYR 106 N -0.11 0.02 0.52 1.13 0.05 -1.34 -0.63 116.97 116.61 2d89 h TYR 106 Ca 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 2d89 h TYR 106 Cb 0.27 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.01 2d89 h TYR 106 CO -0.27 -0.00 -0.25 1.96 -1.05 0.00 0.00 178.16 178.55 2d89 h GLN 107 N 0.01 -0.68 -0.57 4.88 4.20 -1.17 -1.46 115.11 120.32 2d89 h GLN 107 Ca 0.60 0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.47 2d89 h GLN 107 Cb 2.40 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 30.25 2d89 h GLN 107 CO -0.02 -0.42 0.11 0.82 -0.67 0.00 0.00 178.83 178.65 2d89 h ILE 108 N -1.16 0.65 -0.40 2.54 5.03 -1.03 0.22 117.51 123.37 2d89 h ILE 108 Ca -0.07 -0.08 -0.03 0.00 -0.12 0.00 0.00 64.86 64.55 2d89 h ILE 108 Cb 0.57 0.39 -0.02 0.00 -3.03 0.00 0.00 36.82 34.73 2d89 h ILE 108 CO 0.12 0.04 0.11 -0.09 -0.68 0.00 0.00 178.15 177.66 2d89 h ARG 109 N 0.24 0.58 0.07 2.37 2.43 -1.33 -2.85 114.38 115.89 2d89 h ARG 109 Ca 0.30 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2d89 h ARG 109 Cb 0.43 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2d89 h ARG 109 CO -0.39 0.52 -0.03 0.00 -1.51 0.00 0.00 179.97 178.56 2d89 h ALA 110 N 1.56 -0.09 -0.78 2.80 0.00 0.15 0.66 119.26 123.56 2d89 h ALA 110 Ca 0.14 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 54.97 2d89 h ALA 110 Cb 0.19 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 2d89 h ALA 110 CO -0.01 -0.28 0.03 1.25 0.00 0.00 0.00 179.25 180.24 2d89 h HIS 111 N -0.64 -0.02 0.16 0.00 -0.00 -0.54 -2.63 115.15 111.48 2d89 h HIS 111 Ca -0.01 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2d89 h HIS 111 Cb 0.53 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 2d89 h HIS 111 CO 0.10 -0.24 -0.08 0.74 -0.00 0.00 0.00 177.93 178.45 2d89 h PHE 112 N 0.11 -0.19 -3.34 5.26 0.04 -1.55 -3.44 116.94 113.83 2d89 h PHE 112 Ca 0.43 -0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.53 2d89 h PHE 112 Cb 0.78 0.06 -0.31 0.00 2.20 0.00 0.00 35.95 38.68 2d89 h PHE 112 CO -0.41 0.06 -0.76 0.45 -0.60 0.00 0.00 178.31 177.04 2d89 s SER 113 N -5.42 4.00 0.55 2.17 0.15 0.22 -5.11 113.70 110.27 2d89 s SER 113 Ca -0.07 -0.58 0.06 0.00 0.70 0.00 0.00 55.95 56.07 2d89 s SER 113 Cb 0.00 -1.65 0.06 0.00 -1.71 0.00 0.00 66.02 62.72 2d89 s SER 113 CO 0.25 -0.04 0.76 -0.44 1.20 0.00 0.00 173.24 174.96 2d89 s SER 114 N 1.39 5.16 0.00 5.45 0.01 -1.18 -3.67 113.70 120.86 2d89 s SER 114 Ca 0.04 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2d89 s SER 114 Cb -0.14 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2d89 s SER 114 CO -0.06 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 172.97 2d89 n GLY 115 N -2.24 -1.87 3.77 3.44 0.00 -1.26 -4.94 105.19 102.09 2d89 n GLY 115 Ca 0.12 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 4.39 0.85 1.61 0.04 -1.26 -5.01 135.00 135.63 2d89 s PRO 116 Ca 0.00 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2d89 s PRO 116 Cb 0.00 -3.04 0.10 0.00 0.04 0.00 0.00 34.50 31.60 2d89 s PRO 116 CO 0.00 -0.09 1.09 -1.12 0.04 0.00 0.00 177.00 176.93 2d89 s SER 117 N -0.71 3.90 0.01 6.66 0.01 -1.26 -5.08 113.70 117.23 2d89 s SER 117 Ca 0.49 1.46 -0.00 0.00 1.31 0.00 0.00 55.95 59.20 2d89 s SER 117 Cb -0.36 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2d89 s SER 117 CO 0.47 -2.37 -0.01 -0.55 0.41 0.00 0.00 173.24 171.19 2d89 s SER 118 N -3.58 0.10 0.00 2.44 0.15 -1.26 -5.30 113.70 106.25 2d89 s SER 118 Ca 0.62 -0.21 0.31 0.00 0.70 0.00 0.00 55.95 57.37 2d89 s SER 118 Cb -0.17 0.05 1.84 0.00 -1.71 0.00 0.00 66.02 66.03 2d89 s SER 118 CO 0.56 -0.13 2.17 0.61 1.20 0.00 0.00 173.24 177.64