#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1q s ILE 5 N 0.00 4.87 0.13 2.46 2.07 -1.26 -5.09 121.20 124.39 1n1q s ILE 5 Ca 0.00 -0.70 -0.31 0.00 -1.41 0.00 0.00 60.65 58.23 1n1q s ILE 5 Cb 0.00 -3.40 -0.09 0.00 0.13 0.00 0.00 42.46 39.10 1n1q s ILE 5 CO 0.00 0.07 1.50 -1.58 -1.91 0.00 0.00 174.94 173.02 1n1q s GLN 6 N -2.64 4.26 0.00 3.50 2.00 -1.26 -4.93 119.66 120.58 1n1q s GLN 6 Ca 0.32 2.24 0.00 0.00 -2.00 0.00 0.00 55.36 55.92 1n1q s GLN 6 Cb -0.12 -3.24 0.00 0.00 0.80 0.00 0.00 33.01 30.45 1n1q s GLN 6 CO 0.25 -0.55 0.51 1.04 -0.50 0.00 0.00 175.29 176.03 1n1q n GLN 7 N 4.15 -0.43 -2.85 1.67 6.02 -1.26 -4.97 117.38 119.71 1n1q n GLN 7 Ca 0.13 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.00 56.13 1n1q n GLN 7 Cb 0.40 -0.94 -0.04 0.00 1.02 0.00 0.00 30.24 30.68 1n1q n GLN 7 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1n1q s LEU 8 N -0.11 4.05 0.20 1.08 2.96 -1.26 -4.92 118.68 120.68 1n1q s LEU 8 Ca 0.00 0.83 -0.10 0.00 -0.22 0.00 0.00 54.13 54.64 1n1q s LEU 8 Cb 0.00 -3.22 0.21 0.00 0.50 0.00 0.00 46.19 43.68 1n1q s LEU 8 CO 0.00 -0.66 1.80 0.58 -1.32 0.00 0.00 176.35 176.75 1n1q h VAL 9 N 5.60 0.96 -0.56 1.68 2.07 -1.93 -0.88 116.25 123.19 1n1q h VAL 9 Ca -0.23 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1n1q h VAL 9 Cb 1.09 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1n1q h VAL 9 CO 0.92 0.12 0.32 0.00 0.02 0.00 0.00 177.57 178.95 1n1q h ALA 10 N 1.33 1.51 -0.33 1.67 0.00 -1.95 0.08 119.26 121.58 1n1q h ALA 10 Ca 0.28 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1n1q h ALA 10 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1n1q h ALA 10 CO -0.18 0.41 -0.01 0.28 0.00 0.00 0.00 179.25 179.76 1n1q h VAL 11 N 0.77 1.26 -0.30 0.00 2.07 -1.60 -0.26 116.25 118.20 1n1q h VAL 11 Ca 0.20 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 1n1q h VAL 11 Cb -0.00 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1n1q h VAL 11 CO -0.04 0.32 -0.22 -0.07 0.02 0.00 0.00 177.57 177.59 1n1q h LEU 12 N 0.39 0.56 -0.20 2.57 3.38 -0.84 -1.97 115.31 119.20 1n1q h LEU 12 Ca 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1n1q h LEU 12 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1n1q h LEU 12 CO 0.02 0.78 0.04 -0.07 0.09 0.00 0.00 178.44 179.30 1n1q h LEU 13 N 0.50 0.30 -2.10 1.67 4.07 -0.80 -2.73 115.31 116.23 1n1q h LEU 13 Ca 0.08 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 1n1q h LEU 13 Cb 0.65 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 1n1q h LEU 13 CO 0.05 0.47 -0.08 0.78 -1.08 0.00 0.00 178.44 178.58 1n1q h ASN 14 N 0.13 0.00 -0.72 -0.43 2.35 -0.80 -0.86 115.58 115.24 1n1q h ASN 14 Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1n1q h ASN 14 Cb 0.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1n1q h ASN 14 CO 0.00 0.08 0.20 -0.09 -1.65 0.00 0.00 177.43 175.97 1n1q h ARG 15 N 0.00 1.14 0.00 0.81 1.12 -1.05 0.05 114.38 116.45 1n1q h ARG 15 Ca -0.00 -0.26 -0.17 0.00 -1.11 0.00 0.00 59.98 58.44 1n1q h ARG 15 Cb 0.20 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 1n1q h ARG 15 CO 0.01 0.99 -0.81 1.96 -3.11 0.00 0.00 179.97 179.01 1n1q h GLN 16 N 1.09 0.00 -0.41 0.20 1.08 -1.10 -1.45 115.11 114.51 1n1q h GLN 16 Ca 0.23 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 1n1q h GLN 16 Cb 0.35 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1n1q h GLN 16 CO -0.00 0.81 0.20 0.28 -0.95 0.00 0.00 178.83 179.17 1n1q h VAL 17 N 0.00 1.18 -0.43 -0.54 2.07 -0.74 -0.13 116.25 117.65 1n1q h VAL 17 Ca -0.01 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1n1q h VAL 17 Cb 1.47 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1n1q h VAL 17 CO 0.11 0.19 0.20 0.00 0.02 0.00 0.00 177.57 178.09 1n1q h ALA 18 N 1.05 0.56 -0.44 1.67 0.00 -0.88 -1.31 119.26 119.91 1n1q h ALA 18 Ca 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1n1q h ALA 18 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1n1q h ALA 18 CO -0.02 0.13 0.27 -0.91 0.00 0.00 0.00 179.25 178.72 1n1q h ASN 19 N 0.56 0.45 0.94 0.00 2.35 -0.91 -1.57 115.58 117.40 1n1q h ASN 19 Ca 0.15 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1n1q h ASN 19 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1n1q h ASN 19 CO -0.02 0.32 -0.34 -0.50 -1.65 0.00 0.00 177.43 175.25 1n1q h TRP 20 N 0.54 0.00 -0.35 1.19 4.06 -0.89 0.48 115.95 120.99 1n1q h TRP 20 Ca 0.17 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.96 1n1q h TRP 20 Cb -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1n1q h TRP 20 CO -0.06 0.34 -0.41 0.28 -3.56 0.00 0.00 178.44 175.03 1n1q h VAL 21 N 0.00 1.28 -0.18 1.49 2.07 -0.87 0.50 116.25 120.53 1n1q h VAL 21 Ca -0.00 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 1n1q h VAL 21 Cb 0.90 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1n1q h VAL 21 CO 0.04 0.53 0.01 0.58 0.02 0.00 0.00 177.57 178.75 1n1q h VAL 22 N 0.70 1.24 -0.21 2.57 2.07 -0.98 -3.11 116.25 118.53 1n1q h VAL 22 Ca 0.05 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1n1q h VAL 22 Cb 1.01 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1n1q h VAL 22 CO 0.10 0.25 -0.02 -0.07 0.02 0.00 0.00 177.57 177.85 1n1q h LEU 23 N 0.08 0.29 -0.76 2.57 3.38 -0.77 -0.52 115.31 119.58 1n1q h LEU 23 Ca 0.05 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1n1q h LEU 23 Cb 0.36 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1n1q h LEU 23 CO 0.01 0.36 0.46 0.22 0.09 0.00 0.00 178.44 179.58 1n1q h TYR 24 N 0.31 0.85 0.07 1.13 3.20 -0.83 0.19 116.97 121.88 1n1q h TYR 24 Ca 0.07 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.72 1n1q h TYR 24 Cb 0.24 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1n1q h TYR 24 CO 0.00 0.43 -1.13 0.28 -1.64 0.00 0.00 178.16 176.10 1n1q h VAL 25 N 0.84 1.60 -0.50 1.81 2.07 -1.44 -2.97 116.25 117.66 1n1q h VAL 25 Ca 0.33 -3.23 -0.08 0.00 0.82 0.00 0.00 66.70 64.54 1n1q h VAL 25 Cb 0.16 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1n1q h VAL 25 CO -0.17 0.93 0.02 0.50 0.02 0.00 0.00 177.57 178.87 1n1q h LYS 26 N 0.04 0.88 -0.06 1.57 3.64 -0.55 -0.22 116.57 121.87 1n1q h LYS 26 Ca -0.08 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 1n1q h LYS 26 Cb 1.88 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1n1q h LYS 26 CO 0.17 0.90 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.80 1n1q h LEU 27 N 0.74 0.13 -0.46 5.20 3.38 -0.74 -1.58 115.31 121.98 1n1q h LEU 27 Ca 0.14 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1n1q h LEU 27 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1n1q h LEU 27 CO 0.02 0.50 -0.17 0.45 0.09 0.00 0.00 178.44 179.33 1n1q h HIS 28 N 0.11 1.06 -0.24 1.13 3.86 -1.30 0.34 115.15 120.11 1n1q h HIS 28 Ca 0.01 -0.25 0.05 0.00 -1.16 0.00 0.00 60.37 59.02 1n1q h HIS 28 Cb 0.72 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 1n1q h HIS 28 CO 0.01 1.04 -0.05 -0.97 0.86 0.00 0.00 177.93 178.82 1n1q h ASN 29 N 0.77 -0.21 -0.41 2.45 -0.73 -0.25 0.13 115.58 117.33 1n1q h ASN 29 Ca 0.11 0.07 -0.11 0.00 1.87 0.00 0.00 56.30 58.24 1n1q h ASN 29 Cb 0.74 0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.45 1n1q h ASN 29 CO 0.06 -0.07 -0.16 -0.26 -0.37 0.00 0.00 177.43 176.63 1n1q h PHE 30 N 0.01 0.99 -0.75 0.67 0.05 -1.19 0.28 116.94 117.00 1n1q h PHE 30 Ca 0.11 -0.21 0.05 0.00 3.82 0.00 0.00 57.97 61.74 1n1q h PHE 30 Cb 0.17 -0.24 -0.05 0.00 2.00 0.00 0.00 35.95 37.83 1n1q h PHE 30 CO -0.24 0.97 0.46 1.25 -0.18 0.00 0.00 178.31 180.57 1n1q h HIS 31 N 0.78 0.86 0.03 -0.55 2.76 -0.20 -1.57 115.15 117.26 1n1q h HIS 31 Ca 0.12 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 1n1q h HIS 31 Cb 0.69 -0.28 0.01 0.00 1.55 0.00 0.00 27.41 29.38 1n1q h HIS 31 CO 0.04 0.45 -0.32 -1.49 -1.30 0.00 0.00 177.93 175.31 1n1q h TRP 32 N 0.87 0.26 -0.00 5.26 6.55 -0.52 -3.39 115.95 124.98 1n1q h TRP 32 Ca 0.32 -0.17 0.00 0.00 0.95 0.00 0.00 58.89 59.99 1n1q h TRP 32 Cb 0.10 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1n1q h TRP 32 CO -0.05 1.05 -0.42 0.09 -1.05 0.00 0.00 178.44 178.06 1n1q n ASN 33 N -4.44 0.51 -4.74 -3.49 3.02 0.07 -4.94 115.26 101.25 1n1q n ASN 33 Ca -0.11 -0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 53.81 1n1q n ASN 33 Cb 0.58 0.17 0.05 0.00 -0.61 0.00 0.00 39.78 39.96 1n1q n ASN 33 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1n1q s VAL 34 N -2.93 2.19 0.33 2.41 0.11 -0.59 -4.99 120.40 116.92 1n1q s VAL 34 Ca 0.13 0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 59.20 1n1q s VAL 34 Cb 0.18 -3.05 0.02 0.00 -1.53 0.00 0.00 36.38 31.99 1n1q s VAL 34 CO 0.66 -0.02 0.59 0.54 -3.33 0.00 0.00 175.10 173.55 1n1q s ASN 35 N -1.30 0.34 0.00 3.54 2.20 -1.26 -4.94 114.94 113.51 1n1q s ASN 35 Ca 0.78 -1.20 0.00 0.00 -0.94 0.00 0.00 52.86 51.50 1n1q s ASN 35 Cb -0.37 0.71 0.00 0.00 -2.00 0.00 0.00 41.25 39.60 1n1q s ASN 35 CO 0.41 -1.40 0.00 0.61 -2.94 0.00 0.00 177.10 173.78 1n1q n GLY 36 N -0.51 0.73 0.35 0.45 0.00 -1.26 -4.51 105.19 100.44 1n1q n GLY 36 Ca -0.03 -2.14 0.18 0.00 0.00 0.00 0.00 46.02 44.03 1n1q n GLY 36 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n1q h PRO 37 N 0.00 0.00 -0.62 1.61 0.11 -2.07 -0.90 132.00 130.13 1n1q h PRO 37 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n1q h PRO 37 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1n1q h PRO 37 CO 0.00 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.88 1n1q n ASN 38 N -3.67 5.24 -0.04 -2.05 4.13 -1.26 -4.62 115.26 112.98 1n1q n ASN 38 Ca 0.02 -2.73 -0.09 0.00 1.68 0.00 0.00 54.58 53.46 1n1q n ASN 38 Cb 0.38 -0.64 -0.02 0.00 -1.54 0.00 0.00 39.78 37.96 1n1q n ASN 38 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1n1q h PHE 39 N 3.89 -0.73 -0.73 3.10 3.57 -1.39 -0.15 116.94 124.51 1n1q h PHE 39 Ca 0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1n1q h PHE 39 Cb 1.75 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 40.81 1n1q h PHE 39 CO 0.95 -0.34 0.28 0.74 -2.23 0.00 0.00 178.31 177.71 1n1q h PHE 40 N -0.28 1.12 -0.14 0.41 -1.00 -1.84 0.43 116.94 115.63 1n1q h PHE 40 Ca 0.13 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 1n1q h PHE 40 Cb 0.49 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1n1q h PHE 40 CO -0.41 0.86 0.02 1.15 -1.61 0.00 0.00 178.31 178.32 1n1q h THR 41 N 1.05 1.22 -0.15 -1.55 2.02 -1.82 -2.45 112.91 111.23 1n1q h THR 41 Ca 0.24 -0.70 -0.20 0.00 0.77 0.00 0.00 66.41 66.53 1n1q h THR 41 Cb 0.23 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1n1q h THR 41 CO -0.02 0.21 -0.70 -0.07 0.37 0.00 0.00 175.52 175.31 1n1q h LEU 42 N 0.00 0.75 -0.86 2.58 3.38 -0.94 -0.45 115.31 119.77 1n1q h LEU 42 Ca 0.04 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.64 1n1q h LEU 42 Cb 0.30 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1n1q h LEU 42 CO 0.00 1.23 0.51 -0.74 0.09 0.00 0.00 178.44 179.53 1n1q h HIS 43 N 0.45 0.93 -0.14 1.13 2.76 -0.16 0.89 115.15 121.02 1n1q h HIS 43 Ca -0.03 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1n1q h HIS 43 Cb 1.29 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1n1q h HIS 43 CO 0.06 0.40 -0.34 1.49 -1.30 0.00 0.00 177.93 178.24 1n1q h GLU 44 N 0.87 0.48 -0.32 5.26 4.81 -1.30 -2.98 114.58 121.39 1n1q h GLU 44 Ca 0.41 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1n1q h GLU 44 Cb 0.35 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1n1q h GLU 44 CO -0.24 0.94 0.14 -0.22 -0.73 0.00 0.00 179.01 178.90 1n1q h LYS 45 N 0.09 0.28 -0.08 1.92 1.63 -0.30 -1.77 116.57 118.34 1n1q h LYS 45 Ca -0.00 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1n1q h LYS 45 Cb 0.95 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 1n1q h LYS 45 CO 0.08 0.19 -0.12 0.74 -3.45 0.00 0.00 179.45 176.89 1n1q h PHE 46 N 0.29 0.13 -0.31 1.91 0.05 -0.92 -0.81 116.94 117.28 1n1q h PHE 46 Ca 0.14 -0.01 -0.10 0.00 3.82 0.00 0.00 57.97 61.82 1n1q h PHE 46 Cb 0.09 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 1n1q h PHE 46 CO -0.12 0.25 -0.19 1.49 -0.18 0.00 0.00 178.31 179.56 1n1q h GLU 47 N 0.12 0.68 -0.60 1.51 4.81 -1.25 -0.16 114.58 119.70 1n1q h GLU 47 Ca 0.03 -0.31 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1n1q h GLU 47 Cb 0.29 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1n1q h GLU 47 CO 0.02 0.91 0.29 1.49 -0.73 0.00 0.00 179.01 180.99 1n1q h GLU 48 N 0.44 0.52 -0.36 1.92 4.81 -0.59 -0.30 114.58 121.02 1n1q h GLU 48 Ca 0.07 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1n1q h GLU 48 Cb 0.73 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1n1q h GLU 48 CO 0.05 0.34 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.28 1n1q h LEU 49 N 0.53 0.91 -0.89 1.64 3.38 -0.97 -2.15 115.31 117.76 1n1q h LEU 49 Ca 0.28 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1n1q h LEU 49 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1n1q h LEU 49 CO -0.22 1.17 -0.29 0.10 0.09 0.00 0.00 178.44 179.30 1n1q h TYR 50 N 0.65 0.00 -0.51 1.13 -0.00 -0.74 -0.07 116.97 117.43 1n1q h TYR 50 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.68 1n1q h TYR 50 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.62 1n1q h TYR 50 CO 0.07 0.29 -0.13 1.15 -0.00 0.00 0.00 178.16 179.54 1n1q h THR 51 N 0.00 1.27 -0.34 -0.90 2.02 -0.92 -0.03 112.91 114.01 1n1q h THR 51 Ca -0.00 -1.28 -0.12 0.00 0.77 0.00 0.00 66.41 65.78 1n1q h THR 51 Cb 0.88 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1n1q h THR 51 CO 0.04 0.45 -0.27 -0.33 0.37 0.00 0.00 175.52 175.78 1n1q h GLU 52 N 0.86 0.68 -0.44 6.66 5.08 -0.97 -2.69 114.58 123.77 1n1q h GLU 52 Ca 0.13 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1n1q h GLU 52 Cb 0.69 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1n1q h GLU 52 CO 0.05 0.88 0.24 0.00 -1.00 0.00 0.00 179.01 179.18 1n1q h ALA 53 N 1.11 0.56 -0.92 3.43 0.00 -0.47 -0.32 119.26 122.66 1n1q h ALA 53 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1n1q h ALA 53 Cb 0.76 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1n1q h ALA 53 CO 0.06 -0.09 0.59 1.03 0.00 0.00 0.00 179.25 180.84 1n1q h SER 54 N 0.49 0.88 -0.32 0.00 0.87 -0.78 -0.69 113.55 114.01 1n1q h SER 54 Ca 0.18 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.61 1n1q h SER 54 Cb 0.05 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1n1q h SER 54 CO -0.11 0.54 -0.38 1.23 -0.53 0.00 0.00 176.83 177.58 1n1q h GLY 55 N 0.98 0.94 1.00 5.77 0.00 -0.92 -3.05 103.07 107.79 1n1q h GLY 55 Ca 0.41 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1n1q h GLY 55 CO -0.17 0.86 0.06 0.45 0.00 0.00 0.00 176.54 177.74 1n1q h HIS 56 N 0.71 0.92 -0.23 5.60 3.86 -0.22 -2.07 115.15 123.73 1n1q h HIS 56 Ca 0.06 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1n1q h HIS 56 Cb 0.96 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 29.11 1n1q h HIS 56 CO 0.06 0.84 -0.20 0.82 0.86 0.00 0.00 177.93 180.32 1n1q h ILE 57 N 0.74 0.48 -0.26 2.45 1.08 -1.14 0.49 117.51 121.35 1n1q h ILE 57 Ca 0.15 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.58 1n1q h ILE 57 Cb 0.44 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1n1q h ILE 57 CO 0.01 0.00 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.68 1n1q h ASP 58 N -0.20 0.45 -0.42 1.72 3.58 -1.46 -1.78 116.42 118.32 1n1q h ASP 58 Ca 0.13 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 1n1q h ASP 58 Cb 0.40 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 1n1q h ASP 58 CO -0.35 0.66 0.11 0.71 -2.88 0.00 0.00 179.24 177.50 1n1q h THR 59 N 0.23 1.23 -0.08 2.25 1.35 -1.18 -0.93 112.91 115.78 1n1q h THR 59 Ca 0.07 -0.78 -0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1n1q h THR 59 Cb 0.44 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1n1q h THR 59 CO 0.02 0.27 0.04 -0.07 -0.25 0.00 0.00 175.52 175.53 1n1q h LEU 60 N 0.54 0.10 -0.83 3.87 3.38 -0.92 -0.96 115.31 120.50 1n1q h LEU 60 Ca 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1n1q h LEU 60 Cb 0.30 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1n1q h LEU 60 CO 0.00 0.20 0.44 0.00 0.09 0.00 0.00 178.44 179.17 1n1q h ALA 61 N 0.91 1.06 0.00 1.53 0.00 -1.27 -1.70 119.26 119.79 1n1q h ALA 61 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1n1q h ALA 61 Cb 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1n1q h ALA 61 CO -0.00 0.59 -0.28 0.93 0.00 0.00 0.00 179.25 180.48 1n1q h GLU 62 N 1.16 0.00 -0.16 0.00 5.08 -1.03 -1.83 114.58 117.80 1n1q h GLU 62 Ca 0.29 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.47 1n1q h GLU 62 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1n1q h GLU 62 CO -0.04 0.28 -0.64 -0.09 -1.00 0.00 0.00 179.01 177.52 1n1q h ARG 63 N 0.00 0.58 -0.23 2.33 9.65 -0.63 -0.06 114.38 126.03 1n1q h ARG 63 Ca -0.00 -0.41 0.01 0.00 -1.10 0.00 0.00 59.98 58.48 1n1q h ARG 63 Cb 0.82 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.45 1n1q h ARG 63 CO 0.04 1.03 0.12 0.28 2.80 0.00 0.00 179.97 184.24 1n1q h VAL 64 N 0.42 1.01 -0.93 0.20 2.07 -0.77 -2.03 116.25 116.22 1n1q h VAL 64 Ca -0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1n1q h VAL 64 Cb 1.21 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1n1q h VAL 64 CO 0.12 0.05 0.56 -0.07 0.02 0.00 0.00 177.57 178.25 1n1q h LEU 65 N 0.25 1.12 -2.29 2.57 3.38 -1.16 -0.30 115.31 118.89 1n1q h LEU 65 Ca 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1n1q h LEU 65 Cb 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1n1q h LEU 65 CO -0.05 0.86 -0.01 0.28 0.09 0.00 0.00 178.44 179.61 1n1q h SER 66 N 1.29 0.00 -0.45 -0.43 0.02 -0.34 -1.97 113.55 111.67 1n1q h SER 66 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1n1q h SER 66 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1n1q h SER 66 CO -0.06 0.01 0.00 2.30 -1.14 0.00 0.00 176.83 177.94 1n1q n ILE 67 N -3.15 1.29 -0.36 3.27 -5.35 -0.83 -4.97 119.36 109.26 1n1q n ILE 67 Ca -0.01 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.32 1n1q n ILE 67 Cb 0.18 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1n1q n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n1q n GLY 68 N 0.66 0.78 2.10 3.28 0.00 -0.74 -5.04 105.19 106.22 1n1q n GLY 68 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1n1q n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1q n GLY 69 N -2.24 1.91 3.17 -0.02 0.00 -0.17 -4.99 105.19 102.84 1n1q n GLY 69 Ca 0.00 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 1n1q n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n1q s SER 70 N -2.94 3.04 0.45 1.61 0.01 -1.26 -4.02 113.70 110.60 1n1q s SER 70 Ca 0.33 -0.58 -0.22 0.00 1.31 0.00 0.00 55.95 56.78 1n1q s SER 70 Cb -0.03 -1.41 -0.08 0.00 0.21 0.00 0.00 66.02 64.72 1n1q s SER 70 CO 0.21 0.08 1.10 -2.16 0.41 0.00 0.00 173.24 172.88 1n1q s PRO 71 N 0.77 3.86 0.04 12.44 0.04 -1.26 -4.97 135.00 145.92 1n1q s PRO 71 Ca -0.09 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 1n1q s PRO 71 Cb -0.16 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1n1q s PRO 71 CO -0.01 -0.42 1.50 0.42 0.04 0.00 0.00 177.00 178.54 1n1q s ILE 72 N -1.68 3.37 -0.30 0.56 1.01 -1.26 -4.88 121.20 118.01 1n1q s ILE 72 Ca 0.63 0.82 0.19 0.00 0.00 0.00 0.00 60.65 62.30 1n1q s ILE 72 Cb -0.24 -3.53 0.47 0.00 0.01 0.00 0.00 42.46 39.18 1n1q s ILE 72 CO 0.29 0.01 1.07 0.00 0.00 0.00 0.00 174.94 176.30 1n1q n ALA 73 N 5.26 2.93 -3.08 9.38 0.00 -1.26 -4.88 120.51 128.86 1n1q n ALA 73 Ca 0.14 -2.78 -0.12 0.00 0.00 0.00 0.00 53.44 50.68 1n1q n ALA 73 Cb 0.42 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 1n1q n ALA 73 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n1q s THR 74 N -3.07 0.07 0.21 0.00 -4.23 -1.26 -5.05 115.64 102.31 1n1q s THR 74 Ca 0.26 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 1n1q s THR 74 Cb 0.40 -0.95 -0.06 0.00 1.34 0.00 0.00 72.50 73.23 1n1q s THR 74 CO -0.01 -0.31 1.52 -0.07 -0.54 0.00 0.00 174.62 175.21 1n1q h LEU 75 N 3.09 0.41 -0.13 4.79 3.38 -1.99 -2.24 115.31 122.62 1n1q h LEU 75 Ca -0.32 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1n1q h LEU 75 Cb 1.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1n1q h LEU 75 CO 0.45 0.92 0.09 0.00 0.09 0.00 0.00 178.44 179.99 1n1q h ALA 76 N 1.08 0.17 -0.15 1.53 0.00 -1.99 -0.38 119.26 119.52 1n1q h ALA 76 Ca -0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1n1q h ALA 76 Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1n1q h ALA 76 CO 0.10 -0.34 -0.35 0.00 0.00 0.00 0.00 179.25 178.66 1n1q h ALA 77 N 1.04 1.13 -0.19 0.00 0.00 -1.97 -1.88 119.26 117.39 1n1q h ALA 77 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1n1q h ALA 77 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1n1q h ALA 77 CO -0.01 0.56 0.00 0.77 0.00 0.00 0.00 179.25 180.57 1n1q h SER 78 N 0.26 0.33 -0.77 0.00 0.02 -1.03 -1.34 113.55 111.02 1n1q h SER 78 Ca 0.03 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1n1q h SER 78 Cb 0.75 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1n1q h SER 78 CO 0.06 0.55 0.42 -0.07 -1.14 0.00 0.00 176.83 176.65 1n1q h LEU 79 N 0.09 0.97 -0.55 5.07 3.38 -0.98 0.12 115.31 123.41 1n1q h LEU 79 Ca 0.05 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1n1q h LEU 79 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1n1q h LEU 79 CO 0.01 0.78 0.07 -0.08 0.09 0.00 0.00 178.44 179.31 1n1q h GLU 80 N 1.09 0.92 0.00 1.13 4.81 -1.13 -3.32 114.58 118.08 1n1q h GLU 80 Ca 0.27 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1n1q h GLU 80 Cb 0.03 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1n1q h GLU 80 CO -0.04 0.90 -1.65 0.39 -0.73 0.00 0.00 179.01 177.88 1n1q n GLU 81 N -4.34 0.64 -1.97 1.92 -0.58 -0.52 -4.98 120.64 110.81 1n1q n GLU 81 Ca 0.02 0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.37 1n1q n GLU 81 Cb 0.28 -1.67 0.01 0.00 -0.57 0.00 0.00 31.44 29.49 1n1q n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n1q s ALA 82 N -3.22 3.17 -0.98 0.62 0.00 0.40 -4.89 121.76 116.86 1n1q s ALA 82 Ca -0.05 1.28 0.22 0.00 0.00 0.00 0.00 51.96 53.41 1n1q s ALA 82 Cb 0.11 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1n1q s ALA 82 CO 0.85 -0.98 0.99 -1.13 0.00 0.00 0.00 175.76 175.49 1n1q n SER 83 N -0.16 0.89 -4.74 0.00 3.41 -1.26 -4.90 113.62 106.85 1n1q n SER 83 Ca 0.05 -0.84 -0.40 0.00 -0.26 0.00 0.00 58.87 57.43 1n1q n SER 83 Cb 0.44 0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 65.20 1n1q n SER 83 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1n1q s ILE 84 N -3.01 4.82 0.16 -1.33 1.01 -1.26 -5.07 121.20 116.52 1n1q s ILE 84 Ca 0.08 1.54 -0.08 0.00 0.00 0.00 0.00 60.65 62.20 1n1q s ILE 84 Cb 0.16 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 1n1q s ILE 84 CO 0.84 0.35 0.45 -1.59 0.00 0.00 0.00 174.94 174.99 1n1q s LYS 85 N 0.09 3.73 0.71 2.79 -2.85 -1.26 -5.01 119.74 117.94 1n1q s LYS 85 Ca 0.37 0.12 -0.12 0.00 -1.00 0.00 0.00 55.97 55.35 1n1q s LYS 85 Cb -0.20 -2.81 0.02 0.00 -2.06 0.00 0.00 37.83 32.79 1n1q s LYS 85 CO 0.21 0.43 1.08 -1.21 0.10 0.00 0.00 175.35 175.96 1n1q s GLU 86 N -2.54 2.71 0.76 1.78 2.02 -1.26 -4.99 118.70 117.17 1n1q s GLU 86 Ca 0.42 1.10 -0.14 0.00 0.02 0.00 0.00 54.97 56.36 1n1q s GLU 86 Cb -0.12 -1.96 0.05 0.00 0.10 0.00 0.00 34.13 32.20 1n1q s GLU 86 CO 0.22 -1.28 1.20 0.00 0.02 0.00 0.00 175.26 175.41 1n1q s ALA 87 N -2.87 2.04 0.04 5.21 0.00 -1.26 -4.94 121.76 119.98 1n1q s ALA 87 Ca 0.61 0.83 0.10 0.00 0.00 0.00 0.00 51.96 53.49 1n1q s ALA 87 Cb -0.16 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.29 1n1q s ALA 87 CO 0.52 -1.99 1.02 1.79 0.00 0.00 0.00 175.76 177.10 1n1q h THR 88 N -0.52 1.30 0.00 0.00 1.35 -2.01 -3.48 112.91 109.55 1n1q h THR 88 Ca -0.47 -3.05 0.00 0.00 -0.55 0.00 0.00 66.41 62.34 1n1q h THR 88 Cb 1.29 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 1n1q h THR 88 CO 0.49 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 177.11 1n1q n GLY 89 N 1.43 2.86 0.62 5.82 0.00 -1.26 -4.92 105.19 109.74 1n1q n GLY 89 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1n1q n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1q n GLY 90 N -1.33 3.77 3.76 -0.02 0.00 -1.26 -5.04 105.19 105.07 1n1q n GLY 90 Ca 0.00 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1n1q n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n1q s GLU 91 N -2.23 4.28 0.76 1.61 8.01 -1.26 -5.01 118.70 124.86 1n1q s GLU 91 Ca 0.32 2.31 -0.12 0.00 0.01 0.00 0.00 54.97 57.50 1n1q s GLU 91 Cb 0.25 -3.06 0.05 0.00 -4.31 0.00 0.00 34.13 27.06 1n1q s GLU 91 CO 0.09 -0.33 1.14 -1.54 0.01 0.00 0.00 175.26 174.63 1n1q s SER 92 N -0.15 4.91 0.20 -0.19 1.04 -1.26 -4.79 113.70 113.45 1n1q s SER 92 Ca 0.53 0.92 -0.10 0.00 0.48 0.00 0.00 55.95 57.78 1n1q s SER 92 Cb -0.42 -1.54 0.25 0.00 0.10 0.00 0.00 66.02 64.41 1n1q s SER 92 CO 0.52 -1.66 1.74 0.00 0.98 0.00 0.00 173.24 174.82 1n1q h ALA 93 N -0.88 0.72 -0.52 5.32 0.00 -1.94 -0.18 119.26 121.79 1n1q h ALA 93 Ca -0.46 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1n1q h ALA 93 Cb 1.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1n1q h ALA 93 CO 0.65 -0.22 0.01 0.00 0.00 0.00 0.00 179.25 179.69 1n1q h ALA 94 N 1.40 1.03 0.00 0.00 0.00 -1.93 -2.40 119.26 117.36 1n1q h ALA 94 Ca 0.29 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1n1q h ALA 94 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n1q h ALA 94 CO -0.30 0.60 -0.40 0.93 0.00 0.00 0.00 179.25 180.08 1n1q h GLU 95 N 0.81 0.00 0.05 0.00 5.08 -1.65 0.03 114.58 118.90 1n1q h GLU 95 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1n1q h GLU 95 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1n1q h GLU 95 CO 0.02 0.40 -0.03 0.52 -1.00 0.00 0.00 179.01 178.92 1n1q h MET 96 N 0.00 -0.07 -0.34 2.33 2.86 -0.61 0.23 114.93 119.33 1n1q h MET 96 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1n1q h MET 96 Cb 0.72 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1n1q h MET 96 CO 0.05 0.23 0.20 0.28 1.06 0.00 0.00 176.91 178.73 1n1q h VAL 97 N -0.37 1.04 -0.60 -2.22 2.07 -1.25 -1.02 116.25 113.89 1n1q h VAL 97 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1n1q h VAL 97 Cb 0.33 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1n1q h VAL 97 CO 0.01 0.07 0.38 -1.28 0.02 0.00 0.00 177.57 176.77 1n1q h SER 98 N 0.41 0.70 -0.50 0.57 0.87 -0.89 -0.85 113.55 113.85 1n1q h SER 98 Ca 0.14 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 1n1q h SER 98 Cb 0.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1n1q h SER 98 CO -0.06 0.53 -0.08 -1.28 -0.53 0.00 0.00 176.83 175.40 1n1q h SER 99 N 0.82 0.94 -0.23 6.23 0.87 0.26 -1.01 113.55 121.43 1n1q h SER 99 Ca 0.22 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 1n1q h SER 99 Cb -0.06 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 1n1q h SER 99 CO -0.04 1.07 -0.18 0.58 -0.53 0.00 0.00 176.83 177.73 1n1q h VAL 100 N 0.80 1.26 -0.23 2.23 2.07 -0.54 0.07 116.25 121.91 1n1q h VAL 100 Ca 0.13 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1n1q h VAL 100 Cb 0.63 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1n1q h VAL 100 CO 0.04 0.40 0.11 0.58 0.02 0.00 0.00 177.57 178.72 1n1q h VAL 101 N 0.59 1.15 -0.31 2.57 2.07 -0.90 0.69 116.25 122.12 1n1q h VAL 101 Ca 0.09 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1n1q h VAL 101 Cb 0.63 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1n1q h VAL 101 CO 0.04 0.15 0.19 0.78 0.02 0.00 0.00 177.57 178.75 1n1q h ASN 102 N 0.24 0.37 -0.10 0.57 2.35 -0.84 -0.61 115.58 117.57 1n1q h ASN 102 Ca 0.08 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1n1q h ASN 102 Cb 0.13 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1n1q h ASN 102 CO -0.01 0.30 0.05 0.44 -1.65 0.00 0.00 177.43 176.56 1n1q h ASP 103 N 0.40 0.13 -0.64 5.81 3.32 -0.81 -1.16 116.42 123.47 1n1q h ASP 103 Ca 0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1n1q h ASP 103 Cb -0.00 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1n1q h ASP 103 CO -0.02 0.21 0.34 -0.26 -1.72 0.00 0.00 179.24 177.79 1n1q h PHE 104 N 0.03 0.91 -0.69 4.55 0.05 -0.76 0.20 116.94 121.24 1n1q h PHE 104 Ca 0.03 -0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.73 1n1q h PHE 104 Cb 0.12 -0.29 -0.03 0.00 2.00 0.00 0.00 35.95 37.75 1n1q h PHE 104 CO -0.03 0.65 0.17 0.28 -0.18 0.00 0.00 178.31 179.20 1n1q h VAL 105 N 0.93 1.26 -0.28 -0.55 2.07 -0.86 0.01 116.25 118.82 1n1q h VAL 105 Ca 0.23 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1n1q h VAL 105 Cb 0.06 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1n1q h VAL 105 CO -0.03 0.37 0.09 -0.78 0.02 0.00 0.00 177.57 177.23 1n1q h ASP 106 N 1.03 0.41 -0.81 0.57 3.58 -0.40 -2.70 116.42 118.10 1n1q h ASP 106 Ca 0.22 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1n1q h ASP 106 Cb 0.37 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1n1q h ASP 106 CO 0.00 0.51 0.48 -0.07 -2.88 0.00 0.00 179.24 177.28 1n1q h LEU 107 N 0.29 0.98 -0.68 2.28 3.38 -0.66 -1.30 115.31 119.61 1n1q h LEU 107 Ca 0.09 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1n1q h LEU 107 Cb 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1n1q h LEU 107 CO -0.00 0.76 0.43 0.58 0.09 0.00 0.00 178.44 180.30 1n1q h VAL 108 N 1.12 1.12 -0.43 1.22 2.07 -0.81 0.49 116.25 121.04 1n1q h VAL 108 Ca 0.29 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1n1q h VAL 108 Cb -0.03 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1n1q h VAL 108 CO -0.05 0.16 0.18 1.23 0.02 0.00 0.00 177.57 179.11 1n1q h GLY 109 N 0.86 0.68 1.45 2.17 0.00 -1.06 -1.71 103.07 105.46 1n1q h GLY 109 Ca 0.26 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 1n1q h GLY 109 CO -0.09 0.34 -0.20 0.83 0.00 0.00 0.00 176.54 177.43 1n1q h GLU 110 N 0.55 0.64 -0.42 4.80 5.08 -0.64 -2.72 114.58 121.88 1n1q h GLU 110 Ca 0.14 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1n1q h GLU 110 Cb 0.17 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1n1q h GLU 110 CO -0.01 0.80 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.67 1n1q h LEU 111 N 0.57 0.69 -0.40 1.33 3.38 0.25 -0.71 115.31 120.41 1n1q h LEU 111 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1n1q h LEU 111 Cb 0.66 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1n1q h LEU 111 CO 0.05 0.80 0.14 0.11 0.09 0.00 0.00 178.44 179.62 1n1q h LYS 112 N 0.66 0.62 -0.30 1.13 1.57 -1.08 -0.78 116.57 118.38 1n1q h LYS 112 Ca 0.12 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1n1q h LYS 112 Cb 0.50 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1n1q h LYS 112 CO 0.03 0.61 0.13 0.28 -0.57 0.00 0.00 179.45 179.92 1n1q h VAL 113 N 0.51 1.17 -0.74 0.50 2.07 -1.18 -2.21 116.25 116.36 1n1q h VAL 113 Ca 0.13 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1n1q h VAL 113 Cb 0.24 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1n1q h VAL 113 CO -0.01 0.18 0.39 0.00 0.02 0.00 0.00 177.57 178.16 1n1q h ALA 114 N 0.97 0.95 -0.68 1.67 0.00 -1.02 -1.94 119.26 119.22 1n1q h ALA 114 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n1q h ALA 114 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1n1q h ALA 114 CO -0.01 0.48 0.35 0.00 0.00 0.00 0.00 179.25 180.07 1n1q h ARG 115 N 1.03 0.96 -0.89 0.00 3.08 -1.03 0.77 114.38 118.30 1n1q h ARG 115 Ca 0.26 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1n1q h ARG 115 Cb 0.06 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1n1q h ARG 115 CO -0.04 0.74 0.53 0.22 -1.07 0.00 0.00 179.97 180.35 1n1q h ASP 116 N 0.94 1.08 -0.41 7.04 1.82 -0.99 0.31 116.42 126.21 1n1q h ASP 116 Ca 0.24 -0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.69 1n1q h ASP 116 Cb 0.08 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.81 1n1q h ASP 116 CO -0.03 0.84 -0.17 0.58 -1.61 0.00 0.00 179.24 178.84 1n1q h VAL 117 N 1.23 1.28 -0.49 2.25 2.07 -0.85 -1.56 116.25 120.19 1n1q h VAL 117 Ca 0.32 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1n1q h VAL 117 Cb -0.04 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1n1q h VAL 117 CO -0.06 0.44 0.17 0.00 0.02 0.00 0.00 177.57 178.14 1n1q h ALA 118 N 0.83 0.64 -0.84 1.67 0.00 -0.32 -2.08 119.26 119.15 1n1q h ALA 118 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1n1q h ALA 118 Cb 0.73 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1n1q h ALA 118 CO 0.05 0.27 0.55 -0.44 0.00 0.00 0.00 179.25 179.69 1n1q h ASP 119 N 0.65 0.97 0.73 0.00 3.32 -0.28 0.15 116.42 121.96 1n1q h ASP 119 Ca 0.16 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1n1q h ASP 119 Cb 0.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1n1q h ASP 119 CO -0.01 0.71 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.66 1n1q h GLU 120 N 1.15 0.00 -0.51 3.56 3.07 -0.89 -1.59 114.58 119.37 1n1q h GLU 120 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1n1q h GLU 120 Cb -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1n1q h GLU 120 CO -0.07 0.24 0.00 0.00 -1.40 0.00 0.00 179.01 177.78 1n1q n ALA 121 N -2.26 2.47 -3.37 3.43 0.00 -0.66 -4.90 120.51 115.21 1n1q n ALA 121 Ca -0.01 -0.89 -0.24 0.00 0.00 0.00 0.00 53.44 52.30 1n1q n ALA 121 Cb 0.39 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.92 1n1q n ALA 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n1q n ASP 122 N 0.93 -5.65 -3.72 0.00 8.00 -0.60 -4.91 116.55 110.60 1n1q n ASP 122 Ca 0.17 -0.45 -0.34 0.00 0.71 0.00 0.00 54.79 54.88 1n1q n ASP 122 Cb 0.44 -4.53 -0.05 0.00 -0.02 0.00 0.00 41.12 36.96 1n1q n ASP 122 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n1q n ASP 123 N -2.68 4.76 0.02 -2.24 -0.08 0.42 -4.87 116.55 111.89 1n1q n ASP 123 Ca -0.04 -3.40 0.00 0.00 -1.51 0.00 0.00 54.79 49.85 1n1q n ASP 123 Cb 0.58 -0.93 0.32 0.00 2.34 0.00 0.00 41.12 43.43 1n1q n ASP 123 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1n1q h GLU 124 N 4.85 0.47 -0.91 -0.67 4.57 -1.90 -2.50 114.58 118.49 1n1q h GLU 124 Ca 0.19 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1n1q h GLU 124 Cb 0.66 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 1n1q h GLU 124 CO 1.02 0.51 0.51 0.00 -1.18 0.00 0.00 179.01 179.87 1n1q h ALA 125 N 1.54 1.18 -0.23 2.92 0.00 -1.95 0.16 119.26 122.87 1n1q h ALA 125 Ca 0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1n1q h ALA 125 Cb 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n1q h ALA 125 CO 0.01 0.67 -0.13 1.15 0.00 0.00 0.00 179.25 180.95 1n1q h THR 126 N 1.27 1.31 -0.71 0.00 2.02 -1.89 -2.45 112.91 112.46 1n1q h THR 126 Ca 0.32 -1.22 0.05 0.00 0.77 0.00 0.00 66.41 66.33 1n1q h THR 126 Cb 0.01 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1n1q h THR 126 CO -0.05 0.37 0.42 0.00 0.37 0.00 0.00 175.52 176.63 1n1q h ALA 127 N 0.70 0.95 -0.63 6.16 0.00 -1.01 -1.68 119.26 123.76 1n1q h ALA 127 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n1q h ALA 127 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1n1q h ALA 127 CO 0.04 0.14 0.29 0.22 0.00 0.00 0.00 179.25 179.94 1n1q h ASP 128 N 0.79 0.83 -0.63 0.00 3.58 -0.61 0.09 116.42 120.47 1n1q h ASP 128 Ca 0.30 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 1n1q h ASP 128 Cb 0.13 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1n1q h ASP 128 CO -0.15 0.74 0.19 0.00 -2.88 0.00 0.00 179.24 177.13 1n1q h MET 129 N 0.87 0.99 -0.54 0.28 -0.00 -1.01 -1.60 114.93 113.91 1n1q h MET 129 Ca 0.21 -0.22 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 1n1q h MET 129 Cb 0.14 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 1n1q h MET 129 CO -0.02 0.88 0.07 -0.07 -0.00 0.00 0.00 176.91 177.76 1n1q h LEU 130 N 0.91 0.83 -0.67 -0.10 3.38 -1.00 -2.71 115.31 115.95 1n1q h LEU 130 Ca 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1n1q h LEU 130 Cb 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1n1q h LEU 130 CO -0.00 0.85 0.28 -0.78 0.09 0.00 0.00 178.44 178.87 1n1q h ASP 131 N 0.83 0.92 -0.92 -0.43 3.58 -0.52 -0.80 116.42 119.07 1n1q h ASP 131 Ca 0.17 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1n1q h ASP 131 Cb 0.39 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 1n1q h ASP 131 CO 0.01 0.83 0.54 0.00 -2.88 0.00 0.00 179.24 177.75 1n1q h ALA 132 N 1.12 1.22 -0.28 -0.78 0.00 -1.00 0.10 119.26 119.64 1n1q h ALA 132 Ca 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1n1q h ALA 132 Cb 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1n1q h ALA 132 CO -0.02 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.65 1n1q h ILE 133 N 1.27 1.28 -0.27 0.00 5.03 -1.19 -2.86 117.51 120.77 1n1q h ILE 133 Ca 0.33 -1.07 0.04 0.00 -0.12 0.00 0.00 64.86 64.03 1n1q h ILE 133 Cb -0.04 1.40 -0.04 0.00 -3.03 0.00 0.00 36.82 35.12 1n1q h ILE 133 CO -0.06 0.34 0.05 -0.08 -0.68 0.00 0.00 178.15 177.72 1n1q h GLU 134 N 0.30 0.14 -0.81 2.37 4.81 -0.50 -1.55 114.58 119.35 1n1q h GLU 134 Ca 0.07 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1n1q h GLU 134 Cb 0.53 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 1n1q h GLU 134 CO 0.03 0.09 0.49 0.00 -0.73 0.00 0.00 179.01 178.89 1n1q h ALA 135 N 1.20 1.11 -0.69 2.92 0.00 -0.81 -1.06 119.26 121.92 1n1q h ALA 135 Ca 0.12 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1n1q h ALA 135 Cb 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1n1q h ALA 135 CO -0.17 0.22 0.15 0.78 0.00 0.00 0.00 179.25 180.23 1n1q h GLY 136 N 0.90 1.21 1.03 0.00 0.00 -1.21 -2.64 103.07 102.36 1n1q h GLY 136 Ca 0.36 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1n1q h GLY 136 CO -0.17 0.72 0.03 1.41 0.00 0.00 0.00 176.54 178.53 1n1q h LEU 137 N 1.05 0.93 -1.36 3.11 3.38 -0.58 -1.66 115.31 120.19 1n1q h LEU 137 Ca 0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1n1q h LEU 137 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1n1q h LEU 137 CO 0.01 1.00 0.38 -0.33 0.09 0.00 0.00 178.44 179.58 1n1q h GLU 138 N 0.84 0.81 -0.21 1.13 5.08 -1.09 0.21 114.58 121.35 1n1q h GLU 138 Ca 0.16 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1n1q h GLU 138 Cb 0.50 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1n1q h GLU 138 CO 0.02 0.56 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.04 1n1q h LYS 139 N 0.83 0.59 -0.87 2.33 3.64 -1.18 -2.69 116.57 119.22 1n1q h LYS 139 Ca 0.22 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1n1q h LYS 139 Cb -0.06 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1n1q h LYS 139 CO -0.04 0.96 0.48 0.45 -2.27 0.00 0.00 179.45 179.03 1n1q h HIS 140 N 0.27 1.19 -0.66 1.91 3.86 -0.74 -2.64 115.15 118.33 1n1q h HIS 140 Ca 0.02 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1n1q h HIS 140 Cb 0.91 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 1n1q h HIS 140 CO 0.09 0.82 0.43 0.28 0.86 0.00 0.00 177.93 180.40 1n1q h VAL 141 N 1.22 1.14 -0.10 2.45 2.07 -0.48 -0.03 116.25 122.51 1n1q h VAL 141 Ca 0.31 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1n1q h VAL 141 Cb 0.02 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1n1q h VAL 141 CO -0.05 0.16 0.06 -0.25 0.02 0.00 0.00 177.57 177.51 1n1q h TRP 142 N 0.86 0.11 -0.31 1.57 7.01 -1.14 -1.49 115.95 122.57 1n1q h TRP 142 Ca 0.25 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 1n1q h TRP 142 Cb -0.05 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 1n1q h TRP 142 CO -0.03 0.07 0.18 0.52 -2.79 0.00 0.00 178.44 176.39 1n1q h MET 143 N 0.13 0.43 -0.42 2.65 2.86 -1.16 -1.09 114.93 118.32 1n1q h MET 143 Ca 0.04 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1n1q h MET 143 Cb -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1n1q h MET 143 CO -0.01 0.34 -0.07 -0.07 1.06 0.00 0.00 176.91 178.16 1n1q h LEU 144 N 0.39 0.70 -0.58 1.22 3.38 -0.94 -1.48 115.31 118.00 1n1q h LEU 144 Ca 0.11 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1n1q h LEU 144 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1n1q h LEU 144 CO -0.02 0.81 -0.38 -0.33 0.09 0.00 0.00 178.44 178.61 1n1q h GLU 145 N 0.66 0.71 -0.68 1.13 5.08 -1.12 -2.68 114.58 117.68 1n1q h GLU 145 Ca 0.12 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1n1q h GLU 145 Cb 0.52 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1n1q h GLU 145 CO 0.03 0.97 0.36 0.00 -1.00 0.00 0.00 179.01 179.37 1n1q h ALA 146 N 0.99 0.88 -0.99 3.43 0.00 -0.82 -2.06 119.26 120.68 1n1q h ALA 146 Ca 0.05 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1n1q h ALA 146 Cb 0.92 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1n1q h ALA 146 CO 0.08 0.41 0.64 0.35 0.00 0.00 0.00 179.25 180.73 1n1q h PHE 147 N 0.94 1.16 0.00 0.00 3.57 -1.10 -2.05 116.94 119.46 1n1q h PHE 147 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1n1q h PHE 147 Cb 0.07 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1n1q h PHE 147 CO -0.00 0.56 0.00 -0.07 -2.23 0.00 0.00 178.31 176.57 1n1q h LEU 148 N 1.10 0.00 0.00 0.59 3.38 -1.05 -3.52 115.31 115.81 1n1q h LEU 148 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1n1q h LEU 148 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1n1q h LEU 148 CO -0.20 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.71