#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1q s LYS 2 N 0.00 3.31 0.43 3.17 -0.14 -1.26 -5.05 119.74 120.21 1n1q s LYS 2 Ca 0.00 1.90 0.07 0.00 -1.36 0.00 0.00 55.97 56.59 1n1q s LYS 2 Cb 0.00 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1n1q s LYS 2 CO 0.00 -0.95 0.34 0.95 -0.76 0.00 0.00 175.35 174.93 1n1q s THR 3 N -1.51 2.46 0.31 2.17 -4.23 -1.26 -4.96 115.64 108.62 1n1q s THR 3 Ca 0.71 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1n1q s THR 3 Cb -0.32 -2.89 0.16 0.00 1.34 0.00 0.00 72.50 70.78 1n1q s THR 3 CO 0.37 0.00 1.85 0.77 -0.54 0.00 0.00 174.62 177.07 1n1q h SER 4 N 1.07 0.65 -0.28 3.99 4.64 -1.98 -0.14 113.55 121.50 1n1q h SER 4 Ca -0.41 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 60.73 1n1q h SER 4 Cb 1.27 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1n1q h SER 4 CO 0.60 0.67 -0.02 -0.29 -0.87 0.00 0.00 176.83 176.92 1n1q h ILE 5 N 0.67 1.22 -0.08 0.95 6.09 -2.00 -1.02 117.51 123.34 1n1q h ILE 5 Ca 0.15 -0.92 -0.17 0.00 -1.37 0.00 0.00 64.86 62.54 1n1q h ILE 5 Cb 0.31 0.95 0.01 0.00 0.47 0.00 0.00 36.82 38.56 1n1q h ILE 5 CO 0.00 0.32 -0.62 1.56 -3.07 0.00 0.00 178.15 176.34 1n1q h GLN 6 N 0.59 0.56 0.00 2.19 4.20 -1.78 -3.25 115.11 117.62 1n1q h GLN 6 Ca 0.12 -0.50 -0.08 0.00 0.06 0.00 0.00 58.65 58.25 1n1q h GLN 6 Cb 0.41 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1n1q h GLN 6 CO 0.02 1.12 -0.37 1.96 -0.67 0.00 0.00 178.83 180.89 1n1q h GLN 7 N 0.17 0.00 0.00 1.46 4.20 -0.86 -2.37 115.11 117.71 1n1q h GLN 7 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1n1q h GLN 7 Cb 1.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1n1q h GLN 7 CO 0.13 0.37 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.54 1n1q h LEU 8 N 0.00 0.00 -0.16 1.46 3.38 -1.22 -1.21 115.31 117.57 1n1q h LEU 8 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1n1q h LEU 8 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1n1q h LEU 8 CO 0.05 0.04 -0.17 0.58 0.09 0.00 0.00 178.44 179.03 1n1q h VAL 9 N 0.00 1.34 -0.50 1.22 2.07 -1.52 -1.24 116.25 117.63 1n1q h VAL 9 Ca -0.00 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 1n1q h VAL 9 Cb 0.10 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1n1q h VAL 9 CO 0.01 0.40 0.20 0.00 0.02 0.00 0.00 177.57 178.19 1n1q h ALA 10 N 0.61 1.41 -0.31 1.67 0.00 -1.50 -0.22 119.26 120.92 1n1q h ALA 10 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1n1q h ALA 10 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1n1q h ALA 10 CO 0.04 0.45 0.00 0.28 0.00 0.00 0.00 179.25 180.02 1n1q h VAL 11 N 0.71 1.26 -0.24 0.00 2.07 -1.09 -0.35 116.25 118.60 1n1q h VAL 11 Ca 0.17 -0.94 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 1n1q h VAL 11 Cb 0.15 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1n1q h VAL 11 CO -0.02 0.31 -0.26 -0.07 0.02 0.00 0.00 177.57 177.54 1n1q h LEU 12 N 0.34 0.47 -0.19 2.57 3.38 -0.88 -1.87 115.31 119.13 1n1q h LEU 12 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1n1q h LEU 12 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1n1q h LEU 12 CO 0.02 0.73 0.04 -0.07 0.09 0.00 0.00 178.44 179.24 1n1q h LEU 13 N 0.41 0.30 -2.05 1.67 4.07 -0.87 -2.80 115.31 116.04 1n1q h LEU 13 Ca 0.06 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 1n1q h LEU 13 Cb 0.68 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 1n1q h LEU 13 CO 0.05 0.47 -0.09 0.78 -1.08 0.00 0.00 178.44 178.57 1n1q h ASN 14 N 0.11 0.00 -0.64 -0.43 2.35 -0.79 -1.04 115.58 115.14 1n1q h ASN 14 Ca 0.06 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1n1q h ASN 14 Cb 0.30 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1n1q h ASN 14 CO 0.00 0.09 0.17 -0.09 -1.65 0.00 0.00 177.43 175.95 1n1q h ARG 15 N 0.00 1.04 0.00 0.81 1.12 -1.08 0.10 114.38 116.37 1n1q h ARG 15 Ca -0.00 -0.23 -0.17 0.00 -1.11 0.00 0.00 59.98 58.47 1n1q h ARG 15 Cb 0.22 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.01 1n1q h ARG 15 CO 0.01 0.92 -0.81 1.96 -3.11 0.00 0.00 179.97 178.94 1n1q h GLN 16 N 1.00 0.00 -0.40 0.20 1.08 -1.15 -1.51 115.11 114.33 1n1q h GLN 16 Ca 0.21 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1n1q h GLN 16 Cb 0.33 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1n1q h GLN 16 CO -0.00 0.81 0.17 0.28 -0.95 0.00 0.00 178.83 179.14 1n1q h VAL 17 N 0.00 1.19 -0.52 -0.54 2.07 -0.78 -0.18 116.25 117.48 1n1q h VAL 17 Ca -0.01 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1n1q h VAL 17 Cb 1.53 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1n1q h VAL 17 CO 0.11 0.21 0.21 0.00 0.02 0.00 0.00 177.57 178.12 1n1q h ALA 18 N 1.01 0.68 -0.33 1.67 0.00 -0.88 -1.07 119.26 120.34 1n1q h ALA 18 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n1q h ALA 18 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1n1q h ALA 18 CO -0.01 0.29 0.21 -0.91 0.00 0.00 0.00 179.25 178.83 1n1q h ASN 19 N 0.71 0.39 0.84 0.00 2.35 -0.95 -1.77 115.58 117.16 1n1q h ASN 19 Ca 0.18 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1n1q h ASN 19 Cb 0.20 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1n1q h ASN 19 CO -0.01 0.30 -0.35 -0.50 -1.65 0.00 0.00 177.43 175.22 1n1q h TRP 20 N 0.44 0.00 -0.38 1.19 4.06 -0.88 0.35 115.95 120.74 1n1q h TRP 20 Ca 0.12 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.91 1n1q h TRP 20 Cb -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1n1q h TRP 20 CO -0.05 0.35 -0.40 0.28 -3.56 0.00 0.00 178.44 175.06 1n1q h VAL 21 N 0.00 1.27 -0.16 1.49 2.07 -0.91 0.43 116.25 120.44 1n1q h VAL 21 Ca -0.00 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 1n1q h VAL 21 Cb 0.86 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1n1q h VAL 21 CO 0.05 0.53 -0.00 0.58 0.02 0.00 0.00 177.57 178.74 1n1q h VAL 22 N 0.75 1.26 -0.20 2.57 2.07 -0.98 -3.10 116.25 118.61 1n1q h VAL 22 Ca 0.06 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1n1q h VAL 22 Cb 0.99 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1n1q h VAL 22 CO 0.10 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.87 1n1q h LEU 23 N 0.03 0.27 -0.78 2.57 3.38 -0.81 -0.58 115.31 119.39 1n1q h LEU 23 Ca 0.05 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1n1q h LEU 23 Cb 0.39 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1n1q h LEU 23 CO 0.01 0.32 0.47 0.22 0.09 0.00 0.00 178.44 179.55 1n1q h TYR 24 N 0.29 0.86 0.08 1.13 3.20 -0.83 0.19 116.97 121.89 1n1q h TYR 24 Ca 0.07 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.71 1n1q h TYR 24 Cb 0.20 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1n1q h TYR 24 CO 0.00 0.43 -1.17 0.28 -1.64 0.00 0.00 178.16 176.06 1n1q h VAL 25 N 0.85 1.56 -0.51 1.81 2.07 -1.45 -2.97 116.25 117.60 1n1q h VAL 25 Ca 0.34 -3.19 -0.07 0.00 0.82 0.00 0.00 66.70 64.60 1n1q h VAL 25 Cb 0.18 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1n1q h VAL 25 CO -0.18 0.92 0.03 0.50 0.02 0.00 0.00 177.57 178.86 1n1q h LYS 26 N 0.04 0.88 -0.10 1.57 3.64 -0.54 0.06 116.57 122.11 1n1q h LYS 26 Ca -0.09 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 58.93 1n1q h LYS 26 Cb 1.90 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 1n1q h LYS 26 CO 0.17 0.89 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.84 1n1q h LEU 27 N 0.75 0.21 -0.53 5.20 3.38 -0.73 -1.62 115.31 121.96 1n1q h LEU 27 Ca 0.15 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1n1q h LEU 27 Cb 0.48 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1n1q h LEU 27 CO 0.02 0.54 -0.17 0.45 0.09 0.00 0.00 178.44 179.36 1n1q h HIS 28 N 0.18 1.15 -0.22 1.13 3.86 -1.29 0.58 115.15 120.53 1n1q h HIS 28 Ca 0.02 -0.26 0.04 0.00 -1.16 0.00 0.00 60.37 59.01 1n1q h HIS 28 Cb 0.68 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 1n1q h HIS 28 CO 0.01 1.09 -0.02 -0.97 0.86 0.00 0.00 177.93 178.90 1n1q h ASN 29 N 0.88 -0.12 -0.31 2.45 -0.73 -0.16 0.11 115.58 117.70 1n1q h ASN 29 Ca 0.12 0.05 -0.12 0.00 1.87 0.00 0.00 56.30 58.23 1n1q h ASN 29 Cb 0.75 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 1n1q h ASN 29 CO 0.06 -0.03 -0.21 -0.26 -0.37 0.00 0.00 177.43 176.61 1n1q h PHE 30 N 0.05 0.90 -0.81 0.67 0.05 -1.18 0.23 116.94 116.86 1n1q h PHE 30 Ca 0.10 -0.20 0.04 0.00 3.82 0.00 0.00 57.97 61.73 1n1q h PHE 30 Cb 0.14 -0.22 -0.05 0.00 2.00 0.00 0.00 35.95 37.82 1n1q h PHE 30 CO -0.20 0.94 0.51 1.25 -0.18 0.00 0.00 178.31 180.63 1n1q h HIS 31 N 0.70 0.95 0.07 -0.55 2.76 -0.20 -1.51 115.15 117.37 1n1q h HIS 31 Ca 0.10 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 1n1q h HIS 31 Cb 0.73 -0.31 0.01 0.00 1.55 0.00 0.00 27.41 29.39 1n1q h HIS 31 CO 0.04 0.52 -0.51 -1.49 -1.30 0.00 0.00 177.93 175.20 1n1q h TRP 32 N 0.97 0.37 -0.00 5.26 6.55 -0.55 -3.39 115.95 125.15 1n1q h TRP 32 Ca 0.33 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 59.92 1n1q h TRP 32 Cb 0.06 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1n1q h TRP 32 CO -0.03 1.16 -0.43 0.09 -1.05 0.00 0.00 178.44 178.18 1n1q n ASN 33 N -4.31 0.63 -4.74 -3.49 3.02 0.05 -4.94 115.26 101.48 1n1q n ASN 33 Ca -0.12 -0.41 -0.37 0.00 -0.03 0.00 0.00 54.58 53.65 1n1q n ASN 33 Cb 0.68 0.21 0.05 0.00 -0.61 0.00 0.00 39.78 40.11 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 -2.86 2.25 0.34 2.41 0.11 -0.57 -4.99 120.40 117.09 1n1q s VAL 34 Ca 0.15 0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 1n1q s VAL 34 Cb 0.18 -3.07 0.03 0.00 -1.53 0.00 0.00 36.38 31.99 1n1q s VAL 34 CO 0.65 -0.03 0.63 0.54 -3.33 0.00 0.00 175.10 173.56 1n1q s ASN 35 N -1.43 0.29 0.00 3.54 2.20 -1.26 -4.94 114.94 113.33 1n1q s ASN 35 Ca 0.80 -1.18 0.00 0.00 -0.94 0.00 0.00 52.86 51.54 1n1q s ASN 35 Cb -0.35 0.74 0.00 0.00 -2.00 0.00 0.00 41.25 39.64 1n1q s ASN 35 CO 0.38 -1.44 0.00 0.61 -2.94 0.00 0.00 177.10 173.70 1n1q n GLY 36 N -0.52 0.66 0.34 0.45 0.00 -1.26 -4.50 105.19 100.37 1n1q n GLY 36 Ca -0.04 -2.14 0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.06 -1.02 132.00 130.01 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 -3.71 5.16 -0.04 -2.05 4.13 -1.26 -4.62 115.26 112.87 1n1q n ASN 38 Ca 0.02 -2.71 -0.09 0.00 1.68 0.00 0.00 54.58 53.48 1n1q n ASN 38 Cb 0.36 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 37.94 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 3.85 -0.75 -0.69 3.10 3.57 -1.41 -0.18 116.94 124.43 1n1q h PHE 39 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1n1q h PHE 39 Cb 1.72 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 40.79 1n1q h PHE 39 CO 0.93 -0.35 0.30 0.74 -2.23 0.00 0.00 178.31 177.70 1n1q h PHE 40 N -0.30 1.03 -0.11 0.41 -1.00 -1.84 0.45 116.94 115.57 1n1q h PHE 40 Ca 0.12 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1n1q h PHE 40 Cb 0.50 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.74 1n1q h PHE 40 CO -0.41 0.78 0.03 1.15 -1.61 0.00 0.00 178.31 178.26 1n1q h THR 41 N 0.97 1.18 -0.16 -1.55 2.02 -1.81 -2.38 112.91 111.18 1n1q h THR 41 Ca 0.23 -0.55 -0.19 0.00 0.77 0.00 0.00 66.41 66.67 1n1q h THR 41 Cb 0.17 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1n1q h THR 41 CO -0.02 0.16 -0.67 -0.07 0.37 0.00 0.00 175.52 175.29 1n1q h LEU 42 N -0.01 0.73 -0.87 2.58 3.38 -0.94 -0.58 115.31 119.61 1n1q h LEU 42 Ca 0.03 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.66 1n1q h LEU 42 Cb 0.22 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1n1q h LEU 42 CO -0.00 1.20 0.51 -0.74 0.09 0.00 0.00 178.44 179.50 1n1q h HIS 43 N 0.45 0.93 -0.13 1.13 2.76 -0.10 0.78 115.15 120.98 1n1q h HIS 43 Ca -0.02 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 1n1q h HIS 43 Cb 1.26 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.93 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 0.86 0.46 -0.29 5.26 4.81 -1.28 -2.98 114.58 121.43 1n1q h GLU 44 Ca 0.41 -0.32 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 29.75 1n1q h GLU 44 CO -0.24 0.94 0.12 -0.22 -0.73 0.00 0.00 179.01 178.88 1n1q h LYS 45 N 0.07 0.25 -0.10 1.92 1.63 -0.38 -1.70 116.57 118.25 1n1q h LYS 45 Ca -0.01 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1n1q h LYS 45 Cb 0.95 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1n1q h LYS 45 CO 0.07 0.17 -0.05 0.74 -3.45 0.00 0.00 179.45 176.93 1n1q h PHE 46 N 0.26 0.15 -0.27 1.91 0.05 -0.94 -0.82 116.94 117.29 1n1q h PHE 46 Ca 0.12 -0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.81 1n1q h PHE 46 Cb 0.07 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 37.97 1n1q h PHE 46 CO -0.11 0.21 -0.19 1.49 -0.18 0.00 0.00 178.31 179.52 1n1q h GLU 47 N 0.15 0.60 -0.66 1.51 4.81 -1.24 -0.35 114.58 119.40 1n1q h GLU 47 Ca 0.03 -0.29 0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1n1q h GLU 47 Cb 0.19 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 1n1q h GLU 47 CO 0.01 0.88 0.31 1.49 -0.73 0.00 0.00 179.01 180.96 1n1q h GLU 48 N 0.33 0.52 -0.32 1.92 4.81 -0.56 -0.25 114.58 121.03 1n1q h GLU 48 Ca 0.05 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1n1q h GLU 48 Cb 0.73 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1n1q h GLU 48 CO 0.05 0.35 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.19 1n1q h LEU 49 N 0.54 0.93 -0.88 1.64 3.38 -0.98 -2.12 115.31 117.81 1n1q h LEU 49 Ca 0.32 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1n1q h LEU 49 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1n1q h LEU 49 CO -0.26 1.24 -0.34 0.10 0.09 0.00 0.00 178.44 179.27 1n1q h TYR 50 N 0.64 0.00 -0.54 1.13 -0.00 -0.74 0.17 116.97 117.63 1n1q h TYR 50 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.67 1n1q h TYR 50 Cb 1.02 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.73 1n1q h TYR 50 CO 0.07 0.34 -0.07 1.15 -0.00 0.00 0.00 178.16 179.65 1n1q h THR 51 N 0.00 1.27 -0.41 -0.90 2.02 -0.93 0.06 112.91 114.02 1n1q h THR 51 Ca -0.00 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 1n1q h THR 51 Cb 0.90 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1n1q h THR 51 CO 0.04 0.43 -0.19 -0.33 0.37 0.00 0.00 175.52 175.84 1n1q h GLU 52 N 0.87 0.78 -0.44 6.66 5.08 -0.96 -2.72 114.58 123.85 1n1q h GLU 52 Ca 0.14 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1n1q h GLU 52 Cb 0.63 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1n1q h GLU 52 CO 0.04 0.91 0.23 0.00 -1.00 0.00 0.00 179.01 179.19 1n1q h ALA 53 N 1.09 0.56 -0.83 3.43 0.00 -0.34 -0.28 119.26 122.89 1n1q h ALA 53 Ca 0.10 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1n1q h ALA 53 Cb 0.70 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1n1q h ALA 53 CO 0.05 -0.12 0.54 1.03 0.00 0.00 0.00 179.25 180.75 1n1q h SER 54 N 0.45 0.75 -0.20 0.00 0.87 -0.78 -0.56 113.55 114.08 1n1q h SER 54 Ca 0.19 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.58 1n1q h SER 54 Cb 0.09 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1n1q h SER 54 CO -0.13 0.46 -0.55 1.23 -0.53 0.00 0.00 176.83 177.31 1n1q h GLY 55 N 0.84 0.87 1.00 5.77 0.00 -0.87 -3.05 103.07 107.64 1n1q h GLY 55 Ca 0.37 -1.02 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 1n1q h GLY 55 CO -0.14 0.92 0.07 0.45 0.00 0.00 0.00 176.54 177.84 1n1q h HIS 56 N 0.61 0.93 -0.26 5.60 3.86 -0.26 -1.99 115.15 123.65 1n1q h HIS 56 Ca 0.01 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1n1q h HIS 56 Cb 1.15 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 29.30 1n1q h HIS 56 CO 0.07 0.84 -0.16 0.82 0.86 0.00 0.00 177.93 180.36 1n1q h ILE 57 N 0.76 0.55 -0.30 2.45 1.08 -1.11 0.54 117.51 121.47 1n1q h ILE 57 Ca 0.16 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.56 1n1q h ILE 57 Cb 0.42 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1n1q h ILE 57 CO 0.01 0.00 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.63 1n1q h ASP 58 N -0.13 0.58 -0.39 1.72 3.58 -1.45 -1.75 116.42 118.58 1n1q h ASP 58 Ca 0.14 -0.36 -0.05 0.00 0.42 0.00 0.00 57.03 57.18 1n1q h ASP 58 Cb 0.34 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1n1q h ASP 58 CO -0.34 0.80 0.05 0.71 -2.88 0.00 0.00 179.24 177.58 1n1q h THR 59 N 0.35 1.25 0.03 2.25 1.35 -1.14 -1.07 112.91 115.94 1n1q h THR 59 Ca 0.08 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1n1q h THR 59 Cb 0.54 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1n1q h THR 59 CO 0.03 0.31 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.52 1n1q h LEU 60 N 0.50 -0.04 -0.86 3.87 3.38 -0.91 -0.85 115.31 120.41 1n1q h LEU 60 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n1q h LEU 60 Cb 0.40 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1n1q h LEU 60 CO 0.01 0.08 0.52 0.00 0.09 0.00 0.00 178.44 179.14 1n1q h ALA 61 N 0.81 1.09 0.00 1.53 0.00 -1.29 -1.62 119.26 119.79 1n1q h ALA 61 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1n1q h ALA 61 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1n1q h ALA 61 CO 0.01 0.55 -0.29 0.93 0.00 0.00 0.00 179.25 180.45 1n1q h GLU 62 N 1.18 0.00 -0.19 0.00 5.08 -1.06 -1.86 114.58 117.72 1n1q h GLU 62 Ca 0.31 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.49 1n1q h GLU 62 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1n1q h GLU 62 CO -0.06 0.29 -0.61 -0.09 -1.00 0.00 0.00 179.01 177.55 1n1q h ARG 63 N 0.00 0.66 -0.25 2.33 9.65 -0.56 -0.36 114.38 125.85 1n1q h ARG 63 Ca -0.00 -0.45 0.02 0.00 -1.10 0.00 0.00 59.98 58.45 1n1q h ARG 63 Cb 0.81 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.43 1n1q h ARG 63 CO 0.04 1.07 0.10 0.28 2.80 0.00 0.00 179.97 184.26 1n1q h VAL 64 N 0.49 0.96 -0.91 0.20 2.07 -0.75 -1.91 116.25 116.40 1n1q h VAL 64 Ca -0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1n1q h VAL 64 Cb 1.19 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1n1q h VAL 64 CO 0.12 0.04 0.53 -0.07 0.02 0.00 0.00 177.57 178.21 1n1q h LEU 65 N 0.22 1.12 -2.32 2.57 3.38 -1.18 -0.26 115.31 118.85 1n1q h LEU 65 Ca 0.11 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1n1q h LEU 65 Cb 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1n1q h LEU 65 CO -0.10 0.88 -0.02 0.28 0.09 0.00 0.00 178.44 179.57 1n1q h SER 66 N 1.27 0.00 -0.49 -0.43 0.02 -0.32 -1.94 113.55 111.65 1n1q h SER 66 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1n1q h SER 66 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1n1q h SER 66 CO -0.06 0.02 0.00 2.30 -1.14 0.00 0.00 176.83 177.95 1n1q n ILE 67 N -3.21 1.08 -0.32 3.27 -5.35 -0.79 -4.97 119.36 109.06 1n1q n ILE 67 Ca -0.02 -1.04 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 1n1q n ILE 67 Cb 0.17 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 0.90 0.81 2.38 3.28 0.00 -0.73 -5.04 105.19 106.79 1n1q n GLY 68 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.27 2.04 3.19 -0.02 0.00 -0.16 -4.99 105.19 102.99 1n1q n GLY 69 Ca 0.00 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.17 3.14 0.45 1.61 0.01 -1.26 -4.00 113.70 110.47 1n1q s SER 70 Ca 0.35 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.80 1n1q s SER 70 Cb -0.03 -1.44 -0.08 0.00 0.21 0.00 0.00 66.02 64.68 1n1q s SER 70 CO 0.22 0.10 1.09 -2.16 0.41 0.00 0.00 173.24 172.90 1n1q s PRO 71 N 0.70 3.89 0.04 12.44 0.04 -1.26 -4.98 135.00 145.88 1n1q s PRO 71 Ca -0.10 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 1n1q s PRO 71 Cb -0.16 -2.35 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1n1q s PRO 71 CO 0.01 -0.39 1.50 0.42 0.04 0.00 0.00 177.00 178.57 1n1q s ILE 72 N -1.71 3.38 -0.30 0.56 1.01 -1.26 -4.89 121.20 118.00 1n1q s ILE 72 Ca 0.63 0.83 0.20 0.00 0.00 0.00 0.00 60.65 62.30 1n1q s ILE 72 Cb -0.23 -3.53 0.48 0.00 0.01 0.00 0.00 42.46 39.19 1n1q s ILE 72 CO 0.28 0.01 1.06 0.00 0.00 0.00 0.00 174.94 176.28 1n1q n ALA 73 N 5.26 2.95 -3.01 9.38 0.00 -1.26 -4.88 120.51 128.94 1n1q n ALA 73 Ca 0.14 -2.82 -0.12 0.00 0.00 0.00 0.00 53.44 50.64 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 -3.19 0.08 0.19 0.00 -4.23 -1.26 -5.05 115.64 102.18 1n1q s THR 74 Ca 0.26 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1n1q s THR 74 Cb 0.40 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 73.19 1n1q s THR 74 CO -0.01 -0.36 1.49 -0.07 -0.54 0.00 0.00 174.62 175.13 1n1q h LEU 75 N 3.10 0.52 -0.11 4.79 3.38 -1.99 -2.26 115.31 122.74 1n1q h LEU 75 Ca -0.32 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.36 1n1q h LEU 75 Cb 1.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1n1q h LEU 75 CO 0.46 1.01 0.05 0.00 0.09 0.00 0.00 178.44 180.05 1n1q h ALA 76 N 0.99 0.13 -0.12 1.53 0.00 -1.99 -0.24 119.26 119.56 1n1q h ALA 76 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1n1q h ALA 76 Cb 1.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1n1q h ALA 76 CO 0.11 -0.40 -0.39 0.00 0.00 0.00 0.00 179.25 178.57 1n1q h ALA 77 N 1.06 1.12 -0.23 0.00 0.00 -1.97 -1.77 119.26 117.47 1n1q h ALA 77 Ca 0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1n1q h ALA 77 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1n1q h ALA 77 CO -0.04 0.58 0.01 0.77 0.00 0.00 0.00 179.25 180.57 1n1q h SER 78 N 0.22 0.39 -0.92 0.00 0.02 -1.00 -1.22 113.55 111.04 1n1q h SER 78 Ca 0.02 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1n1q h SER 78 Cb 0.79 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1n1q h SER 78 CO 0.06 0.60 0.53 -0.07 -1.14 0.00 0.00 176.83 176.81 1n1q h LEU 79 N 0.17 1.13 -0.40 5.07 3.38 -0.95 0.78 115.31 124.50 1n1q h LEU 79 Ca 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1n1q h LEU 79 Cb 0.39 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1n1q h LEU 79 CO 0.01 0.89 0.13 -0.08 0.09 0.00 0.00 178.44 179.48 1n1q h GLU 80 N 1.28 0.62 0.00 1.13 4.81 -1.11 -3.31 114.58 118.00 1n1q h GLU 80 Ca 0.33 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1n1q h GLU 80 Cb -0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1n1q h GLU 80 CO -0.06 0.61 -1.37 0.39 -0.73 0.00 0.00 179.01 177.85 1n1q n GLU 81 N -4.60 0.62 -1.98 1.92 -0.58 -0.48 -4.96 120.64 110.57 1n1q n GLU 81 Ca -0.00 0.09 -0.39 0.00 -0.42 0.00 0.00 57.16 56.44 1n1q n GLU 81 Cb 0.17 -1.75 0.01 0.00 -0.57 0.00 0.00 31.44 29.30 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 -3.21 3.13 -0.80 0.62 0.00 0.25 -4.89 121.76 116.86 1n1q s ALA 82 Ca -0.03 1.25 0.22 0.00 0.00 0.00 0.00 51.96 53.40 1n1q s ALA 82 Cb 0.10 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 1n1q s ALA 82 CO 0.82 -0.98 0.92 -1.13 0.00 0.00 0.00 175.76 175.39 1n1q n SER 83 N -0.25 0.74 -4.73 0.00 3.41 -1.26 -4.90 113.62 106.63 1n1q n SER 83 Ca 0.06 -0.65 -0.41 0.00 -0.26 0.00 0.00 58.87 57.61 1n1q n SER 83 Cb 0.44 1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 65.37 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 -3.10 4.81 0.36 -1.33 1.01 -1.26 -5.06 121.20 116.62 1n1q s ILE 84 Ca 0.05 1.76 -0.08 0.00 0.00 0.00 0.00 60.65 62.38 1n1q s ILE 84 Cb 0.16 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 1n1q s ILE 84 CO 0.85 0.28 0.69 -0.54 0.00 0.00 0.00 174.94 176.22 1n1q s LYS 85 N 0.42 3.73 0.61 2.79 -0.14 -1.26 -5.01 119.74 120.88 1n1q s LYS 85 Ca 0.43 0.30 -0.10 0.00 -1.36 0.00 0.00 55.97 55.24 1n1q s LYS 85 Cb -0.20 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.43 1n1q s LYS 85 CO 0.24 0.06 0.99 -1.21 -0.76 0.00 0.00 175.35 174.67 1n1q s GLU 86 N -3.73 3.42 0.79 1.68 2.02 -1.26 -5.00 118.70 116.62 1n1q s GLU 86 Ca 0.49 0.56 -0.13 0.00 0.02 0.00 0.00 54.97 55.90 1n1q s GLU 86 Cb -0.10 -2.13 0.07 0.00 0.10 0.00 0.00 34.13 32.06 1n1q s GLU 86 CO 0.31 -0.59 1.17 0.00 0.02 0.00 0.00 175.26 176.17 1n1q s ALA 87 N -3.12 1.95 0.04 5.21 0.00 -1.26 -4.95 121.76 119.63 1n1q s ALA 87 Ca 0.54 0.72 0.10 0.00 0.00 0.00 0.00 51.96 53.32 1n1q s ALA 87 Cb -0.11 -3.44 -0.22 0.00 0.00 0.00 0.00 23.12 19.35 1n1q s ALA 87 CO 0.51 -2.12 0.98 1.79 0.00 0.00 0.00 175.76 176.92 1n1q h THR 88 N -0.85 1.29 0.00 0.00 1.35 -2.01 -3.48 112.91 109.21 1n1q h THR 88 Ca -0.46 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 62.33 1n1q h THR 88 Cb 1.28 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1n1q h THR 88 CO 0.47 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 177.09 1n1q n GLY 89 N 1.45 2.40 0.48 5.82 0.00 -1.26 -4.91 105.19 109.16 1n1q n GLY 89 Ca -0.08 0.00 0.08 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 -1.51 4.13 3.77 -0.02 0.00 -1.26 -5.05 105.19 105.25 1n1q n GLY 90 Ca 0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.49 4.35 0.77 1.61 8.01 -1.26 -5.02 118.70 124.67 1n1q s GLU 91 Ca 0.32 2.22 -0.11 0.00 0.01 0.00 0.00 54.97 57.42 1n1q s GLU 91 Cb 0.26 -3.07 0.07 0.00 -4.31 0.00 0.00 34.13 27.08 1n1q s GLU 91 CO 0.07 -0.20 1.13 -1.54 0.01 0.00 0.00 175.26 174.73 1n1q s SER 92 N -0.46 4.72 0.19 -0.19 1.04 -1.26 -4.80 113.70 112.94 1n1q s SER 92 Ca 0.49 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.56 1n1q s SER 92 Cb -0.40 -1.34 0.19 0.00 0.10 0.00 0.00 66.02 64.57 1n1q s SER 92 CO 0.53 -1.75 1.74 0.00 0.98 0.00 0.00 173.24 174.74 1n1q h ALA 93 N -0.89 0.63 -0.67 5.32 0.00 -1.94 -0.33 119.26 121.38 1n1q h ALA 93 Ca -0.46 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1n1q h ALA 93 Cb 1.32 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1n1q h ALA 93 CO 0.64 -0.22 0.18 0.00 0.00 0.00 0.00 179.25 179.85 1n1q h ALA 94 N 1.35 1.06 0.00 0.00 0.00 -1.93 -2.27 119.26 117.47 1n1q h ALA 94 Ca 0.25 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1n1q h ALA 94 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n1q h ALA 94 CO -0.27 0.63 -0.38 0.93 0.00 0.00 0.00 179.25 180.16 1n1q h GLU 95 N 1.00 0.00 -0.04 0.00 5.08 -1.70 0.20 114.58 119.11 1n1q h GLU 95 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1n1q h GLU 95 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1n1q h GLU 95 CO -0.00 0.38 -0.00 0.52 -1.00 0.00 0.00 179.01 178.91 1n1q h MET 96 N 0.00 0.07 -0.31 2.33 2.86 -0.55 0.26 114.93 119.60 1n1q h MET 96 Ca -0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1n1q h MET 96 Cb 0.69 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1n1q h MET 96 CO 0.05 0.37 0.19 0.28 1.06 0.00 0.00 176.91 178.86 1n1q h VAL 97 N -0.23 1.11 -0.66 -2.22 2.07 -1.18 -1.15 116.25 113.99 1n1q h VAL 97 Ca 0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1n1q h VAL 97 Cb 0.34 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1n1q h VAL 97 CO 0.00 0.11 0.43 -1.28 0.02 0.00 0.00 177.57 176.85 1n1q h SER 98 N 0.40 0.76 -0.56 0.57 0.87 -0.87 -0.76 113.55 113.95 1n1q h SER 98 Ca 0.11 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1n1q h SER 98 Cb 0.01 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1n1q h SER 98 CO -0.02 0.55 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.48 1n1q h SER 99 N 0.89 1.04 -0.39 6.23 0.87 0.18 -0.87 113.55 121.49 1n1q h SER 99 Ca 0.24 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.36 1n1q h SER 99 Cb -0.10 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 1n1q h SER 99 CO -0.05 1.13 -0.13 0.58 -0.53 0.00 0.00 176.83 177.83 1n1q h VAL 100 N 0.93 1.26 -0.25 2.23 2.07 -0.53 -0.27 116.25 121.69 1n1q h VAL 100 Ca 0.15 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1n1q h VAL 100 Cb 0.64 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1n1q h VAL 100 CO 0.04 0.42 0.15 0.58 0.02 0.00 0.00 177.57 178.79 1n1q h VAL 101 N 0.76 1.10 -0.29 2.57 2.07 -0.87 0.95 116.25 122.55 1n1q h VAL 101 Ca 0.12 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1n1q h VAL 101 Cb 0.64 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1n1q h VAL 101 CO 0.04 0.10 0.19 0.78 0.02 0.00 0.00 177.57 178.70 1n1q h ASN 102 N 0.31 0.33 -0.10 0.57 2.35 -0.86 -0.47 115.58 117.72 1n1q h ASN 102 Ca 0.09 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1n1q h ASN 102 Cb 0.03 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1n1q h ASN 102 CO -0.02 0.24 0.05 0.44 -1.65 0.00 0.00 177.43 176.49 1n1q h ASP 103 N 0.38 0.14 -0.68 5.81 3.32 -0.83 -1.25 116.42 123.31 1n1q h ASP 103 Ca 0.10 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1n1q h ASP 103 Cb -0.04 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1n1q h ASP 103 CO -0.02 0.23 0.38 -0.26 -1.72 0.00 0.00 179.24 177.84 1n1q h PHE 104 N 0.03 0.95 -0.65 4.55 0.05 -0.70 0.31 116.94 121.48 1n1q h PHE 104 Ca 0.03 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.75 1n1q h PHE 104 Cb 0.13 -0.30 -0.03 0.00 2.00 0.00 0.00 35.95 37.75 1n1q h PHE 104 CO -0.03 0.66 0.18 0.28 -0.18 0.00 0.00 178.31 179.23 1n1q h VAL 105 N 0.97 1.25 -0.30 -0.55 2.07 -0.85 -0.19 116.25 118.65 1n1q h VAL 105 Ca 0.25 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1n1q h VAL 105 Cb 0.03 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1n1q h VAL 105 CO -0.04 0.34 0.11 -0.78 0.02 0.00 0.00 177.57 177.22 1n1q h ASP 106 N 0.96 0.42 -0.80 0.57 3.58 -0.46 -2.68 116.42 118.01 1n1q h ASP 106 Ca 0.21 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1n1q h ASP 106 Cb 0.32 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1n1q h ASP 106 CO -0.00 0.49 0.47 -0.07 -2.88 0.00 0.00 179.24 177.25 1n1q h LEU 107 N 0.33 0.97 -0.72 2.28 3.38 -0.67 -1.37 115.31 119.50 1n1q h LEU 107 Ca 0.10 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1n1q h LEU 107 Cb 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1n1q h LEU 107 CO -0.01 0.75 0.46 0.58 0.09 0.00 0.00 178.44 180.32 1n1q h VAL 108 N 1.11 1.13 -0.49 1.22 2.07 -0.80 0.48 116.25 120.97 1n1q h VAL 108 Ca 0.29 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1n1q h VAL 108 Cb -0.03 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1n1q h VAL 108 CO -0.05 0.17 0.14 1.23 0.02 0.00 0.00 177.57 179.08 1n1q h GLY 109 N 0.92 0.82 1.44 2.17 0.00 -1.07 -1.78 103.07 105.57 1n1q h GLY 109 Ca 0.28 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 1n1q h GLY 109 CO -0.09 0.46 -0.24 0.83 0.00 0.00 0.00 176.54 177.50 1n1q h GLU 110 N 0.66 0.65 -0.47 4.80 5.08 -0.66 -2.74 114.58 121.90 1n1q h GLU 110 Ca 0.16 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1n1q h GLU 110 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1n1q h GLU 110 CO -0.00 0.83 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.76 1n1q h LEU 111 N 0.57 0.74 -0.51 1.33 3.38 0.19 -0.54 115.31 120.48 1n1q h LEU 111 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1n1q h LEU 111 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1n1q h LEU 111 CO 0.05 0.81 0.17 0.11 0.09 0.00 0.00 178.44 179.68 1n1q h LYS 112 N 0.72 0.78 -0.28 1.13 1.57 -1.11 -0.57 116.57 118.81 1n1q h LYS 112 Ca 0.14 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1n1q h LYS 112 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1n1q h LYS 112 CO 0.02 0.71 0.07 0.28 -0.57 0.00 0.00 179.45 179.97 1n1q h VAL 113 N 0.69 1.21 -0.81 0.50 2.07 -1.18 -2.31 116.25 116.41 1n1q h VAL 113 Ca 0.17 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1n1q h VAL 113 Cb 0.25 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1n1q h VAL 113 CO -0.01 0.23 0.43 0.00 0.02 0.00 0.00 177.57 178.24 1n1q h ALA 114 N 0.90 1.04 -0.58 1.67 0.00 -0.96 -1.94 119.26 119.39 1n1q h ALA 114 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1n1q h ALA 114 Cb 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1n1q h ALA 114 CO -0.00 0.57 0.30 0.00 0.00 0.00 0.00 179.25 180.12 1n1q h ARG 115 N 1.13 0.83 -0.97 0.00 3.08 -1.02 0.51 114.38 117.95 1n1q h ARG 115 Ca 0.28 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1n1q h ARG 115 Cb 0.06 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1n1q h ARG 115 CO -0.04 0.65 0.60 0.22 -1.07 0.00 0.00 179.97 180.33 1n1q h ASP 116 N 0.79 1.14 -0.39 7.04 1.82 -1.01 0.32 116.42 126.14 1n1q h ASP 116 Ca 0.20 -0.06 -0.14 0.00 -0.39 0.00 0.00 57.03 56.64 1n1q h ASP 116 Cb 0.08 -0.29 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 1n1q h ASP 116 CO -0.03 0.86 -0.30 0.58 -1.61 0.00 0.00 179.24 178.75 1n1q h VAL 117 N 1.32 1.27 -0.33 2.25 2.07 -0.91 -1.55 116.25 120.37 1n1q h VAL 117 Ca 0.35 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1n1q h VAL 117 Cb -0.09 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1n1q h VAL 117 CO -0.07 0.49 0.06 0.00 0.02 0.00 0.00 177.57 178.08 1n1q h ALA 118 N 0.88 0.44 -1.01 1.67 0.00 -0.23 -2.37 119.26 118.63 1n1q h ALA 118 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1n1q h ALA 118 Cb 0.87 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1n1q h ALA 118 CO 0.08 0.13 0.66 -0.44 0.00 0.00 0.00 179.25 179.67 1n1q h ASP 119 N 0.38 1.09 0.82 0.00 3.32 -0.25 0.11 116.42 121.89 1n1q h ASP 119 Ca 0.10 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1n1q h ASP 119 Cb 0.34 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1n1q h ASP 119 CO 0.01 0.74 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.83 1n1q h GLU 120 N 1.27 0.00 -0.59 3.56 3.07 -1.03 -1.01 114.58 119.85 1n1q h GLU 120 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1n1q h GLU 120 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1n1q h GLU 120 CO -0.13 0.11 0.00 0.00 -1.40 0.00 0.00 179.01 177.59 1n1q n ALA 121 N -2.17 2.55 -3.40 3.43 0.00 -0.56 -4.91 120.51 115.45 1n1q n ALA 121 Ca -0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 53.44 52.13 1n1q n ALA 121 Cb 0.33 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 1.09 -5.45 -3.77 0.00 8.00 -0.38 -4.91 116.55 111.12 1n1q n ASP 122 Ca 0.19 -0.47 -0.34 0.00 0.71 0.00 0.00 54.79 54.89 1n1q n ASP 122 Cb 0.55 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 37.22 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 -2.65 4.74 0.01 -2.24 -0.08 0.27 -4.87 116.55 111.74 1n1q n ASP 123 Ca -0.03 -3.37 -0.01 0.00 -1.51 0.00 0.00 54.79 49.87 1n1q n ASP 123 Cb 0.57 -0.95 0.29 0.00 2.34 0.00 0.00 41.12 43.36 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 5.00 0.50 -0.83 -0.67 4.57 -1.90 -2.48 114.58 118.78 1n1q h GLU 124 Ca 0.19 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1n1q h GLU 124 Cb 0.68 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 1n1q h GLU 124 CO 1.01 0.57 0.51 0.00 -1.18 0.00 0.00 179.01 179.92 1n1q h ALA 125 N 1.48 1.06 -0.26 2.92 0.00 -1.96 0.17 119.26 122.66 1n1q h ALA 125 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1n1q h ALA 125 Cb 0.39 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n1q h ALA 125 CO 0.02 0.51 -0.09 1.15 0.00 0.00 0.00 179.25 180.84 1n1q h THR 126 N 1.14 1.29 -0.69 0.00 2.02 -1.89 -2.39 112.91 112.38 1n1q h THR 126 Ca 0.30 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1n1q h THR 126 Cb -0.06 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1n1q h THR 126 CO -0.06 0.36 0.40 0.00 0.37 0.00 0.00 175.52 176.59 1n1q h ALA 127 N 0.75 0.92 -0.60 6.16 0.00 -0.99 -1.67 119.26 123.84 1n1q h ALA 127 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1n1q h ALA 127 Cb 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1n1q h ALA 127 CO 0.03 0.11 0.31 0.22 0.00 0.00 0.00 179.25 179.92 1n1q h ASP 128 N 0.75 0.76 -0.56 0.00 3.58 -0.57 0.07 116.42 120.47 1n1q h ASP 128 Ca 0.30 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1n1q h ASP 128 Cb 0.14 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 1n1q h ASP 128 CO -0.16 0.66 0.21 0.00 -2.88 0.00 0.00 179.24 177.07 1n1q h MET 129 N 0.81 0.84 -0.54 0.28 -0.00 -1.02 -1.47 114.93 113.83 1n1q h MET 129 Ca 0.21 -0.16 -0.05 0.00 -0.00 0.00 0.00 59.70 59.70 1n1q h MET 129 Cb 0.08 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 31.52 1n1q h MET 129 CO -0.03 0.74 0.13 -0.07 -0.00 0.00 0.00 176.91 177.68 1n1q h LEU 130 N 0.76 0.77 -0.64 -0.10 3.38 -1.03 -2.59 115.31 115.86 1n1q h LEU 130 Ca 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1n1q h LEU 130 Cb 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1n1q h LEU 130 CO -0.01 0.76 0.27 -0.78 0.09 0.00 0.00 178.44 178.77 1n1q h ASP 131 N 0.80 0.87 -0.94 -0.43 3.58 -0.46 -0.89 116.42 118.95 1n1q h ASP 131 Ca 0.18 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1n1q h ASP 131 Cb 0.29 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 1n1q h ASP 131 CO -0.00 0.79 0.58 0.00 -2.88 0.00 0.00 179.24 177.74 1n1q h ALA 132 N 1.11 1.20 -0.30 -0.78 0.00 -0.91 0.84 119.26 120.41 1n1q h ALA 132 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1n1q h ALA 132 Cb 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1n1q h ALA 132 CO -0.02 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 1n1q h ILE 133 N 1.29 1.27 -0.29 0.00 5.03 -1.15 -2.77 117.51 120.89 1n1q h ILE 133 Ca 0.34 -1.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.11 1n1q h ILE 133 Cb -0.08 1.32 -0.03 0.00 -3.03 0.00 0.00 36.82 34.99 1n1q h ILE 133 CO -0.07 0.32 0.09 -0.08 -0.68 0.00 0.00 178.15 177.73 1n1q h GLU 134 N 0.33 0.20 -0.87 2.37 4.81 -0.55 -1.48 114.58 119.40 1n1q h GLU 134 Ca 0.08 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1n1q h GLU 134 Cb 0.48 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1n1q h GLU 134 CO 0.02 0.14 0.55 0.00 -0.73 0.00 0.00 179.01 178.98 1n1q h ALA 135 N 1.19 1.17 -0.66 2.92 0.00 -0.84 -1.13 119.26 121.91 1n1q h ALA 135 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1n1q h ALA 135 Cb 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1n1q h ALA 135 CO -0.14 0.34 0.11 0.78 0.00 0.00 0.00 179.25 180.34 1n1q h GLY 136 N 1.03 1.18 1.04 0.00 0.00 -1.14 -2.60 103.07 102.58 1n1q h GLY 136 Ca 0.36 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1n1q h GLY 136 CO -0.15 0.73 0.03 1.41 0.00 0.00 0.00 176.54 178.56 1n1q h LEU 137 N 1.02 0.94 -1.35 3.11 3.38 -0.68 -1.65 115.31 120.08 1n1q h LEU 137 Ca 0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n1q h LEU 137 Cb 0.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1n1q h LEU 137 CO 0.01 1.00 0.38 -0.33 0.09 0.00 0.00 178.44 179.59 1n1q h GLU 138 N 0.84 0.82 -0.21 1.13 5.08 -1.08 0.25 114.58 121.41 1n1q h GLU 138 Ca 0.16 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1n1q h GLU 138 Cb 0.50 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1n1q h GLU 138 CO 0.02 0.57 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.10 1n1q h LYS 139 N 0.84 0.56 -0.90 2.33 3.64 -1.18 -2.63 116.57 119.21 1n1q h LYS 139 Ca 0.22 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1n1q h LYS 139 Cb -0.05 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1n1q h LYS 139 CO -0.04 0.92 0.54 0.45 -2.27 0.00 0.00 179.45 179.05 1n1q h HIS 140 N 0.24 1.19 -0.70 1.91 3.86 -0.68 -2.61 115.15 118.36 1n1q h HIS 140 Ca 0.03 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1n1q h HIS 140 Cb 0.85 -0.39 -0.04 0.00 1.06 0.00 0.00 27.41 28.89 1n1q h HIS 140 CO 0.08 0.79 0.46 0.28 0.86 0.00 0.00 177.93 180.40 1n1q h VAL 141 N 1.24 1.17 -0.22 2.45 2.07 -0.38 0.14 116.25 122.72 1n1q h VAL 141 Ca 0.32 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n1q h VAL 141 Cb -0.05 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1n1q h VAL 141 CO -0.06 0.17 0.14 -0.25 0.02 0.00 0.00 177.57 177.59 1n1q h TRP 142 N 0.94 0.29 -0.42 1.57 7.01 -1.11 -1.57 115.95 122.66 1n1q h TRP 142 Ca 0.26 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1n1q h TRP 142 Cb -0.10 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 1n1q h TRP 142 CO -0.03 0.21 0.18 0.52 -2.79 0.00 0.00 178.44 176.54 1n1q h MET 143 N 0.28 0.62 -0.37 2.65 2.86 -1.14 -1.27 114.93 118.56 1n1q h MET 143 Ca 0.08 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1n1q h MET 143 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1n1q h MET 143 CO -0.02 0.56 -0.16 -0.07 1.06 0.00 0.00 176.91 178.28 1n1q h LEU 144 N 0.53 0.67 -0.51 1.22 3.38 -0.91 -1.74 115.31 117.95 1n1q h LEU 144 Ca 0.14 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1n1q h LEU 144 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n1q h LEU 144 CO -0.01 0.84 -0.45 -0.33 0.09 0.00 0.00 178.44 178.57 1n1q h GLU 145 N 0.60 0.71 -0.80 1.13 5.08 -1.17 -2.66 114.58 117.48 1n1q h GLU 145 Ca 0.10 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1n1q h GLU 145 Cb 0.61 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1n1q h GLU 145 CO 0.04 1.01 0.44 0.00 -1.00 0.00 0.00 179.01 179.51 1n1q h ALA 146 N 0.93 1.03 -0.95 3.43 0.00 -0.95 -1.95 119.26 120.79 1n1q h ALA 146 Ca 0.04 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1n1q h ALA 146 Cb 1.00 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1n1q h ALA 146 CO 0.09 0.53 0.62 0.35 0.00 0.00 0.00 179.25 180.84 1n1q h PHE 147 N 1.11 1.12 0.00 0.00 3.57 -1.13 -2.34 116.94 119.28 1n1q h PHE 147 Ca 0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1n1q h PHE 147 Cb 0.03 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.40 1n1q h PHE 147 CO 0.00 0.59 0.00 -0.07 -2.23 0.00 0.00 178.31 176.61 1n1q h LEU 148 N 1.11 0.00 0.00 0.59 3.38 -1.03 -3.52 115.31 115.85 1n1q h LEU 148 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1n1q h LEU 148 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1n1q h LEU 148 CO -0.15 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.76