#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7k s LEU 2 N 0.00 2.21 0.00 2.45 1.43 -0.41 -1.51 118.68 122.84 1u7k s LEU 2 Ca 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1u7k s LEU 2 Cb 0.00 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1u7k s LEU 2 CO 0.00 0.09 0.00 -2.11 0.23 0.00 0.00 176.35 174.56 1u7k n ARG 3 N 1.64 0.00 -4.24 1.70 1.85 -0.69 -4.35 116.66 112.57 1u7k n ARG 3 Ca -0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.52 1u7k n ARG 3 Cb 0.54 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.85 1u7k n ARG 3 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1u7k s GLY 5 N 0.00 1.71 0.15 2.89 0.00 0.78 -0.29 107.32 112.56 1u7k s GLY 5 Ca 0.00 -1.79 0.18 0.00 0.00 0.00 0.00 44.72 43.11 1u7k s GLY 5 CO 0.00 -1.46 1.55 0.61 0.00 0.00 0.00 173.10 173.81 1u7k n GLY 6 N -0.39 -1.06 1.36 0.20 0.00 -1.26 -2.15 105.19 101.88 1u7k n GLY 6 Ca 0.03 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1u7k n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u7k n ASN 7 N -1.92 4.16 -0.16 1.61 6.94 -1.26 -4.93 115.26 119.70 1u7k n ASN 7 Ca 0.02 -2.19 -0.02 0.00 -0.02 0.00 0.00 54.58 52.37 1u7k n ASN 7 Cb 0.16 -0.50 -0.01 0.00 -2.36 0.00 0.00 39.78 37.08 1u7k n ASN 7 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u7k n GLY 8 N 1.29 0.56 3.25 4.83 0.00 -0.92 -5.03 105.19 109.17 1u7k n GLY 8 Ca 0.24 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1u7k n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u7k s GLN 9 N -1.65 1.79 0.55 1.61 0.74 -1.26 -4.87 119.66 116.57 1u7k s GLN 9 Ca 0.00 -0.80 -0.22 0.00 0.05 0.00 0.00 55.36 54.39 1u7k s GLN 9 Cb 0.00 -1.74 -0.05 0.00 1.10 0.00 0.00 33.01 32.32 1u7k s GLN 9 CO 0.00 0.48 1.37 -0.51 -0.55 0.00 0.00 175.29 176.08 1u7k s LEU 10 N -0.54 3.85 -0.04 3.68 1.43 -1.26 -0.15 118.68 125.64 1u7k s LEU 10 Ca 0.09 2.80 0.03 0.00 -1.03 0.00 0.00 54.13 56.01 1u7k s LEU 10 Cb -0.09 -4.27 0.01 0.00 0.03 0.00 0.00 46.19 41.87 1u7k s LEU 10 CO -0.01 -1.60 -0.11 -1.58 0.23 0.00 0.00 176.35 173.28 1u7k s GLN 11 N -2.91 1.28 -0.04 1.70 0.74 0.60 -4.77 119.66 116.25 1u7k s GLN 11 Ca 0.72 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.74 1u7k s GLN 11 Cb -0.41 -1.14 -0.04 0.00 1.10 0.00 0.00 33.01 32.52 1u7k s GLN 11 CO 0.49 0.11 0.04 -0.47 -0.55 0.00 0.00 175.29 174.91 1u7k s TYR 12 N 0.31 3.22 -0.07 1.67 5.04 -1.26 -1.71 117.35 124.55 1u7k s TYR 12 Ca -0.06 0.20 -0.12 0.00 -2.44 0.00 0.00 57.07 54.65 1u7k s TYR 12 Cb -0.11 -1.76 0.02 0.00 0.35 0.00 0.00 41.96 40.47 1u7k s TYR 12 CO 0.01 0.52 0.29 1.67 -1.34 0.00 0.00 175.55 176.70 1u7k s TRP 13 N -1.05 -0.25 0.61 4.97 -2.14 -0.57 -5.00 118.94 115.52 1u7k s TRP 13 Ca 0.18 0.54 -0.16 0.00 2.66 0.00 0.00 56.10 59.32 1u7k s TRP 13 Cb -0.12 0.09 -0.02 0.00 -3.10 0.00 0.00 33.47 30.32 1u7k s TRP 13 CO 0.08 -0.25 1.08 -1.25 -2.66 0.00 0.00 176.95 173.95 1u7k s PRO 14 N -0.50 3.12 0.40 3.25 0.05 -1.26 0.50 135.00 140.56 1u7k s PRO 14 Ca -0.06 1.30 -0.27 0.00 0.05 0.00 0.00 61.00 62.02 1u7k s PRO 14 Cb -0.04 -2.00 -0.10 0.00 0.05 0.00 0.00 34.50 32.41 1u7k s PRO 14 CO 0.02 -0.98 1.44 1.19 0.05 0.00 0.00 177.00 178.72 1u7k n PHE 15 N -2.12 2.78 -2.37 0.56 0.99 -1.26 -4.72 117.46 111.32 1u7k n PHE 15 Ca 0.10 0.46 -0.41 0.00 -0.00 0.00 0.00 57.45 57.59 1u7k n PHE 15 Cb 0.52 -2.49 -0.04 0.00 -1.00 0.00 0.00 39.48 36.48 1u7k n PHE 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1u7k s SER 16 N -0.29 7.11 0.50 4.37 0.15 -1.26 -4.91 113.70 119.38 1u7k s SER 16 Ca 0.57 2.30 0.27 0.00 0.70 0.00 0.00 55.95 59.79 1u7k s SER 16 Cb -0.48 -2.62 1.33 0.00 -1.71 0.00 0.00 66.02 62.54 1u7k s SER 16 CO 0.61 -0.32 2.01 0.77 1.20 0.00 0.00 173.24 177.52 1u7k h SER 17 N 4.55 0.00 -0.65 5.45 4.64 -2.00 -2.39 113.55 123.14 1u7k h SER 17 Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1u7k h SER 17 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1u7k h SER 17 CO 0.71 0.14 0.25 0.28 -0.87 0.00 0.00 176.83 177.35 1u7k h SER 18 N 0.00 0.93 -0.07 4.97 0.02 -1.99 -0.36 113.55 117.05 1u7k h SER 18 Ca -0.00 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1u7k h SER 18 Cb 0.44 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1u7k h SER 18 CO 0.02 0.84 0.01 0.44 -1.14 0.00 0.00 176.83 177.01 1u7k h ASP 19 N 0.99 0.11 -0.17 3.07 3.32 -1.83 -0.34 116.42 121.57 1u7k h ASP 19 Ca 0.23 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1u7k h ASP 19 Cb 0.22 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1u7k h ASP 19 CO -0.02 0.33 0.05 -0.07 -1.72 0.00 0.00 179.24 177.82 1u7k h LEU 20 N -0.11 0.04 -1.03 1.55 3.38 -1.33 -0.44 115.31 117.37 1u7k h LEU 20 Ca 0.02 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1u7k h LEU 20 Cb 0.27 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u7k h LEU 20 CO 0.00 0.05 -0.44 1.88 0.09 0.00 0.00 178.44 180.02 1u7k h TYR 21 N 0.13 0.10 -0.43 1.13 0.99 -1.09 -1.99 116.97 115.81 1u7k h TYR 21 Ca 0.08 -0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.70 1u7k h TYR 21 Cb 0.06 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 37.75 1u7k h TYR 21 CO -0.12 0.52 -0.05 -0.91 -0.00 0.00 0.00 178.16 177.60 1u7k h ASN 22 N 0.07 0.79 -0.45 3.88 2.35 -0.64 0.49 115.58 122.07 1u7k h ASN 22 Ca 0.00 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1u7k h ASN 22 Cb 0.82 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1u7k h ASN 22 CO 0.06 0.94 0.26 -0.50 -1.65 0.00 0.00 177.43 176.54 1u7k h TRP 23 N 0.63 0.60 0.19 1.19 6.55 -0.91 -1.31 115.95 122.89 1u7k h TRP 23 Ca 0.12 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.94 1u7k h TRP 23 Cb 0.56 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.66 1u7k h TRP 23 CO 0.04 0.43 -0.12 -0.22 -1.05 0.00 0.00 178.44 177.53 1u7k h LYS 24 N 0.59 -0.29 0.00 0.49 3.64 -1.22 -3.16 116.57 116.63 1u7k h LYS 24 Ca 0.16 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1u7k h LYS 24 Cb 0.02 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1u7k h LYS 24 CO -0.03 -0.19 0.00 -0.91 -2.27 0.00 0.00 179.45 176.05 1u7k h ASN 25 N -0.30 0.00 -0.67 4.20 2.35 -0.62 -2.90 115.58 117.65 1u7k h ASN 25 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1u7k h ASN 25 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1u7k h ASN 25 CO 0.02 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.39 1u7k n ASN 26 N -2.66 4.49 -4.05 5.81 3.02 -0.52 -4.94 115.26 116.41 1u7k n ASN 26 Ca 0.02 -2.31 -0.08 0.00 -0.03 0.00 0.00 54.58 52.17 1u7k n ASN 26 Cb 0.29 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 1u7k n ASN 26 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1u7k s ASN 27 N -0.96 0.46 0.96 6.41 0.01 -1.09 -5.06 114.94 115.67 1u7k s ASN 27 Ca 0.50 -0.79 -0.12 0.00 -0.71 0.00 0.00 52.86 51.74 1u7k s ASN 27 Cb 0.30 0.15 0.16 0.00 0.41 0.00 0.00 41.25 42.27 1u7k s ASN 27 CO 0.27 -0.46 1.09 -2.84 -1.51 0.00 0.00 177.10 173.65 1u7k s PRO 28 N -2.87 0.76 0.85 -0.60 0.02 -1.26 -4.94 135.00 126.96 1u7k s PRO 28 Ca -0.02 0.82 -0.11 0.00 0.02 0.00 0.00 61.00 61.71 1u7k s PRO 28 Cb 0.00 -1.75 0.10 0.00 0.02 0.00 0.00 34.50 32.87 1u7k s PRO 28 CO -0.06 -2.58 1.09 -1.54 -0.33 0.00 0.00 177.00 173.58 1u7k s SER 29 N -3.24 3.83 0.21 2.53 1.04 -1.26 -4.71 113.70 112.09 1u7k s SER 29 Ca 0.65 1.69 -0.09 0.00 0.48 0.00 0.00 55.95 58.67 1u7k s SER 29 Cb -0.19 -2.36 0.19 0.00 0.10 0.00 0.00 66.02 63.76 1u7k s SER 29 CO 0.58 -2.45 1.87 0.15 0.98 0.00 0.00 173.24 174.37 1u7k h PHE 30 N -1.41 0.92 -0.78 5.02 3.57 -1.83 -2.54 116.94 119.88 1u7k h PHE 30 Ca -0.47 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 1u7k h PHE 30 Cb 1.26 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1u7k h PHE 30 CO 0.49 0.55 0.31 0.77 -2.23 0.00 0.00 178.31 178.20 1u7k h SER 31 N 0.97 1.08 -0.64 0.41 0.02 -1.96 -1.14 113.55 112.29 1u7k h SER 31 Ca 0.29 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1u7k h SER 31 Cb -0.04 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 1u7k h SER 31 CO -0.09 0.96 0.22 -0.33 -1.14 0.00 0.00 176.83 176.45 1u7k h GLU 32 N 1.13 0.98 -0.82 3.45 5.08 -1.84 -3.41 114.58 119.15 1u7k h GLU 32 Ca 0.26 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1u7k h GLU 32 Cb 0.22 -0.15 -0.18 0.00 0.50 0.00 0.00 28.75 29.14 1u7k h GLU 32 CO -0.02 0.85 -0.38 0.34 -1.00 0.00 0.00 179.01 178.79 1u7k s ASP 33 N -6.22 -1.25 0.49 1.42 -1.08 -0.99 -5.01 116.67 104.03 1u7k s ASP 33 Ca -0.13 -0.80 0.15 0.00 -0.52 0.00 0.00 52.55 51.25 1u7k s ASP 33 Cb 0.13 1.61 1.16 0.00 -1.46 0.00 0.00 42.92 44.36 1u7k s ASP 33 CO 0.81 -0.12 2.09 -0.65 0.52 0.00 0.00 175.17 177.83 1u7k h PRO 34 N 6.28 0.17 -0.94 4.34 0.11 -1.42 -2.69 132.00 137.84 1u7k h PRO 34 Ca 0.03 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.23 1u7k h PRO 34 Cb 1.18 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1u7k h PRO 34 CO 0.05 0.11 0.60 0.78 -0.21 0.00 0.00 178.00 179.33 1u7k h GLY 35 N 0.18 1.41 0.29 -0.55 0.00 -1.94 -1.74 103.07 100.71 1u7k h GLY 35 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1u7k h GLY 35 CO -0.02 0.23 -0.20 0.50 0.00 0.00 0.00 176.54 177.05 1u7k h LYS 36 N 0.97 -0.45 -0.32 4.80 1.79 -1.86 -1.41 116.57 120.10 1u7k h LYS 36 Ca 0.43 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.88 1u7k h LYS 36 Cb 0.36 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1u7k h LYS 36 CO -0.19 -0.30 -0.05 -0.07 -1.08 0.00 0.00 179.45 177.76 1u7k h LEU 37 N -0.47 0.48 -0.51 2.94 3.38 -1.73 -2.15 115.31 117.26 1u7k h LEU 37 Ca -0.04 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1u7k h LEU 37 Cb 0.38 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1u7k h LEU 37 CO 0.02 0.58 0.34 0.74 0.09 0.00 0.00 178.44 180.21 1u7k h THR 38 N 0.48 1.13 -0.46 0.22 2.02 -1.25 0.13 112.91 115.18 1u7k h THR 38 Ca 0.10 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 1u7k h THR 38 Cb 0.39 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1u7k h THR 38 CO 0.02 0.13 -0.15 0.00 0.37 0.00 0.00 175.52 175.89 1u7k h ALA 39 N 1.19 0.88 -0.06 6.16 0.00 -0.93 0.77 119.26 127.27 1u7k h ALA 39 Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1u7k h ALA 39 Cb -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1u7k h ALA 39 CO -0.04 0.63 0.01 1.25 0.00 0.00 0.00 179.25 181.11 1u7k h LEU 40 N 0.77 0.09 -0.80 0.00 6.46 -1.03 -2.26 115.31 118.53 1u7k h LEU 40 Ca 0.12 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.58 1u7k h LEU 40 Cb 0.66 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1u7k h LEU 40 CO 0.05 0.30 0.16 0.40 -0.62 0.00 0.00 178.44 178.73 1u7k h ILE 41 N -0.12 1.26 -0.83 4.05 2.04 -0.63 -1.03 117.51 122.24 1u7k h ILE 41 Ca 0.02 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 65.00 1u7k h ILE 41 Cb 0.25 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1u7k h ILE 41 CO 0.00 0.36 0.51 -0.08 0.00 0.00 0.00 178.15 178.94 1u7k h GLU 42 N 1.01 0.89 0.07 2.37 4.81 -0.75 0.44 114.58 123.42 1u7k h GLU 42 Ca 0.21 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1u7k h GLU 42 Cb 0.36 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1u7k h GLU 42 CO 0.00 0.59 -0.03 1.03 -0.73 0.00 0.00 179.01 179.87 1u7k h SER 43 N 0.92 -0.08 -0.77 1.04 0.87 -0.88 -3.13 113.55 111.51 1u7k h SER 43 Ca 0.37 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1u7k h SER 43 Cb 0.19 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1u7k h SER 43 CO -0.18 0.20 0.48 0.58 -0.53 0.00 0.00 176.83 177.38 1u7k h VAL 44 N -0.36 1.21 -0.44 2.23 2.07 -0.88 -0.39 116.25 119.70 1u7k h VAL 44 Ca -0.01 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1u7k h VAL 44 Cb 0.31 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1u7k h VAL 44 CO 0.02 0.22 0.30 -0.07 0.02 0.00 0.00 177.57 178.06 1u7k h LEU 45 N 1.07 0.13 0.00 2.57 3.38 -0.89 0.16 115.31 121.73 1u7k h LEU 45 Ca 0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 1u7k h LEU 45 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1u7k h LEU 45 CO -0.05 0.08 -0.47 0.74 0.09 0.00 0.00 178.44 178.82 1u7k h THR 46 N 0.14 0.73 -0.16 0.22 2.02 -1.09 -3.18 112.91 111.60 1u7k h THR 46 Ca 0.20 -1.69 -0.12 0.00 0.77 0.00 0.00 66.41 65.58 1u7k h THR 46 Cb 0.62 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1u7k h THR 46 CO -0.03 0.25 -0.40 0.71 0.37 0.00 0.00 175.52 176.42 1u7k h THR 47 N -1.00 1.31 -0.00 3.16 1.35 -0.99 -3.19 112.91 113.54 1u7k h THR 47 Ca -0.10 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1u7k h THR 47 Cb 0.75 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1u7k h THR 47 CO -0.06 0.47 -0.81 1.41 -0.25 0.00 0.00 175.52 176.28 1u7k n HIS 48 N -4.03 0.00 -4.09 4.73 8.25 0.56 -4.95 115.22 115.69 1u7k n HIS 48 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 1u7k n HIS 48 Cb 0.49 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 1u7k n HIS 48 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1u7k n GLN 49 N -1.23 -1.17 -1.91 -0.41 6.02 -1.20 -1.29 117.38 116.19 1u7k n GLN 49 Ca 0.05 0.18 -0.37 0.00 -0.01 0.00 0.00 57.00 56.85 1u7k n GLN 49 Cb 0.35 -3.45 0.03 0.00 1.02 0.00 0.00 30.24 28.20 1u7k n GLN 49 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1u7k s PRO 50 N -7.09 3.14 0.78 -1.09 0.04 -1.26 -2.93 135.00 126.59 1u7k s PRO 50 Ca 0.23 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 1u7k s PRO 50 Cb -0.11 -2.16 0.18 0.00 0.04 0.00 0.00 34.50 32.44 1u7k s PRO 50 CO 0.95 -1.13 1.07 0.25 0.04 0.00 0.00 177.00 178.18 1u7k n THR 51 N -1.16 0.00 -0.17 1.26 -2.24 -1.26 -4.82 114.28 105.88 1u7k n THR 51 Ca 0.11 -0.84 -0.08 0.00 -2.27 0.00 0.00 64.05 60.97 1u7k n THR 51 Cb 0.47 -1.55 0.01 0.00 -2.10 0.00 0.00 70.33 67.16 1u7k n THR 51 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1u7k h TRP 52 N -1.55 0.74 -0.90 4.78 7.01 -1.97 -0.86 115.95 123.20 1u7k h TRP 52 Ca -0.35 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.58 1u7k h TRP 52 Cb 0.97 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1u7k h TRP 52 CO 0.00 0.61 0.48 -0.44 -2.79 0.00 0.00 178.44 176.29 1u7k h ASP 53 N 0.65 1.13 -0.76 2.65 3.32 -1.99 -1.68 116.42 119.75 1u7k h ASP 53 Ca 0.17 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1u7k h ASP 53 Cb 0.17 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1u7k h ASP 53 CO -0.02 0.91 0.49 0.44 -1.72 0.00 0.00 179.24 179.35 1u7k h ASP 54 N 1.26 0.88 -0.48 6.45 3.32 -1.79 -1.66 116.42 124.40 1u7k h ASP 54 Ca 0.31 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1u7k h ASP 54 Cb 0.05 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1u7k h ASP 54 CO -0.05 0.65 0.25 0.00 -1.72 0.00 0.00 179.24 178.38 1u7k h GLN 56 N 0.71 0.95 -0.40 0.00 1.08 -0.42 -1.07 115.11 115.96 1u7k h GLN 56 Ca 0.18 -0.17 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 1u7k h GLN 56 Cb 0.06 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1u7k h GLN 56 CO -0.03 0.80 -0.27 1.96 -0.95 0.00 0.00 178.83 180.35 1u7k h GLN 57 N 0.93 0.88 0.43 1.46 4.20 -0.71 0.24 115.11 122.55 1u7k h GLN 57 Ca 0.21 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1u7k h GLN 57 Cb 0.22 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1u7k h GLN 57 CO -0.01 1.07 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.71 1u7k h LEU 58 N 0.70 -1.17 -0.38 1.46 3.38 -0.94 -0.47 115.31 117.90 1u7k h LEU 58 Ca 0.08 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1u7k h LEU 58 Cb 0.84 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1u7k h LEU 58 CO 0.07 -0.58 0.21 -0.07 0.09 0.00 0.00 178.44 178.16 1u7k h LEU 59 N -0.87 0.47 -1.67 1.67 3.38 -1.18 -0.29 115.31 116.82 1u7k h LEU 59 Ca -0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1u7k h LEU 59 Cb 0.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1u7k h LEU 59 CO -0.06 0.42 -0.03 1.23 0.09 0.00 0.00 178.44 180.08 1u7k h GLY 60 N 0.48 0.18 0.88 0.83 0.00 -0.45 -0.96 103.07 104.03 1u7k h GLY 60 Ca 0.13 -0.09 -0.32 0.00 0.00 0.00 0.00 47.33 47.05 1u7k h GLY 60 CO -0.02 0.08 -1.79 -0.84 0.00 0.00 0.00 176.54 173.97 1u7k h THR 61 N 0.16 0.82 0.00 4.70 2.02 -0.72 -3.40 112.91 116.50 1u7k h THR 61 Ca 0.04 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1u7k h THR 61 Cb 0.18 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1u7k h THR 61 CO 0.01 0.72 -1.44 0.18 0.37 0.00 0.00 175.52 175.36 1u7k n LEU 62 N -3.30 0.47 -4.53 2.58 4.77 -0.15 -4.93 117.00 111.91 1u7k n LEU 62 Ca -0.23 0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 55.65 1u7k n LEU 62 Cb 1.05 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 42.00 1u7k n LEU 62 CO 0.45 -0.10 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.21 1u7k s LEU 63 N -4.96 2.84 0.89 2.23 1.43 -0.38 -4.64 118.68 116.10 1u7k s LEU 63 Ca -0.04 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 1u7k s LEU 63 Cb 0.12 -1.58 0.13 0.00 0.03 0.00 0.00 46.19 44.89 1u7k s LEU 63 CO 0.84 0.13 1.16 0.42 0.23 0.00 0.00 176.35 179.13 1u7k s THR 64 N -1.55 1.99 0.25 5.49 -4.23 -1.26 -4.72 115.64 111.61 1u7k s THR 64 Ca 0.23 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1u7k s THR 64 Cb -0.09 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.16 1u7k s THR 64 CO 0.13 0.00 1.84 1.23 -0.54 0.00 0.00 174.62 177.28 1u7k h GLY 65 N -1.42 1.37 1.75 3.99 0.00 -1.95 -0.59 103.07 106.22 1u7k h GLY 65 Ca -0.49 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.29 1u7k h GLY 65 CO 0.61 0.22 -0.74 0.83 0.00 0.00 0.00 176.54 177.46 1u7k h GLU 66 N 0.95 0.24 -0.11 4.80 3.07 -2.00 -2.39 114.58 119.14 1u7k h GLU 66 Ca 0.41 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 1u7k h GLU 66 Cb 0.27 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1u7k h GLU 66 CO -0.21 0.87 -0.23 0.93 -1.40 0.00 0.00 179.01 178.97 1u7k h GLU 67 N 0.16 0.35 -0.69 2.33 5.08 -1.82 -2.72 114.58 117.28 1u7k h GLU 67 Ca -0.03 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1u7k h GLU 67 Cb 1.30 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 1u7k h GLU 67 CO 0.11 0.83 0.43 -0.22 -1.00 0.00 0.00 179.01 179.16 1u7k h LYS 68 N -0.08 0.80 -0.59 2.33 3.64 -1.10 -0.73 116.57 120.83 1u7k h LYS 68 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1u7k h LYS 68 Cb 0.83 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1u7k h LYS 68 CO 0.05 0.53 0.39 1.96 -2.27 0.00 0.00 179.45 180.11 1u7k h GLN 69 N 0.82 0.79 -0.08 1.90 1.08 -1.45 0.14 115.11 118.31 1u7k h GLN 69 Ca 0.28 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1u7k h GLN 69 Cb 0.05 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1u7k h GLN 69 CO -0.12 0.53 0.05 -0.09 -0.95 0.00 0.00 178.83 178.26 1u7k h ARG 70 N 0.80 0.11 -0.50 1.46 2.43 -1.06 -1.84 114.38 115.79 1u7k h ARG 70 Ca 0.22 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1u7k h ARG 70 Cb -0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1u7k h ARG 70 CO -0.05 0.10 0.30 0.28 -1.51 0.00 0.00 179.97 179.09 1u7k h VAL 71 N 0.09 1.06 -0.66 0.20 2.07 -0.62 -0.92 116.25 117.47 1u7k h VAL 71 Ca 0.03 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1u7k h VAL 71 Cb 0.01 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1u7k h VAL 71 CO -0.01 0.11 0.16 -0.07 0.02 0.00 0.00 177.57 177.79 1u7k h LEU 72 N 0.60 0.97 -0.55 2.57 3.38 -0.50 0.90 115.31 122.69 1u7k h LEU 72 Ca 0.20 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1u7k h LEU 72 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1u7k h LEU 72 CO -0.08 0.94 -0.65 -0.07 0.09 0.00 0.00 178.44 178.66 1u7k h LEU 73 N 0.99 0.35 -0.72 1.67 3.38 -1.12 -1.66 115.31 118.20 1u7k h LEU 73 Ca 0.21 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1u7k h LEU 73 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1u7k h LEU 73 CO 0.00 0.91 -0.31 -0.08 0.09 0.00 0.00 178.44 179.05 1u7k h GLU 74 N 0.22 0.64 -0.44 1.13 4.57 -0.78 -1.23 114.58 118.69 1u7k h GLU 74 Ca -0.01 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.77 1u7k h GLU 74 Cb 1.19 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1u7k h GLU 74 CO 0.11 0.87 -0.17 0.00 -1.18 0.00 0.00 179.01 178.64 1u7k h ALA 75 N 1.11 0.61 -0.12 2.92 0.00 -0.61 -2.55 119.26 120.63 1u7k h ALA 75 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1u7k h ALA 75 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1u7k h ALA 75 CO 0.07 0.56 -0.31 0.00 0.00 0.00 0.00 179.25 179.56 1u7k h ARG 76 N 0.72 0.23 0.00 0.00 3.08 -1.14 -2.04 114.38 115.23 1u7k h ARG 76 Ca 0.10 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1u7k h ARG 76 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1u7k h ARG 76 CO 0.06 0.52 0.00 1.17 -1.07 0.00 0.00 179.97 180.65 1u7k n LYS 77 N -4.11 0.16 0.00 0.04 4.81 -0.48 -2.55 118.16 116.03 1u7k n LYS 77 Ca -0.01 0.36 0.12 0.00 -0.87 0.00 0.00 58.31 57.91 1u7k n LYS 77 Cb 0.40 -1.79 0.26 0.00 0.02 0.00 0.00 35.03 33.93 1u7k n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u7k n ALA 78 N -1.72 3.17 -1.77 3.14 0.00 -0.77 -4.87 120.51 117.69 1u7k n ALA 78 Ca 0.03 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1u7k n ALA 78 Cb 0.24 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1u7k n ALA 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u7k s VAL 79 N -2.44 2.66 0.04 0.00 1.01 -1.06 -5.02 120.40 115.60 1u7k s VAL 79 Ca 0.24 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.95 1u7k s VAL 79 Cb 0.19 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1u7k s VAL 79 CO 0.51 0.14 -0.25 -0.13 0.00 0.00 0.00 175.10 175.37 1u7k s ARG 80 N -1.92 1.72 0.80 2.72 3.00 -1.26 -3.24 118.95 120.76 1u7k s ARG 80 Ca 0.51 -1.07 -0.14 0.00 0.00 0.00 0.00 55.73 55.03 1u7k s ARG 80 Cb -0.40 -1.89 0.19 0.00 0.00 0.00 0.00 34.95 32.85 1u7k s ARG 80 CO 0.52 0.49 1.03 0.41 0.00 0.00 0.00 175.30 177.76 1u7k n GLY 81 N 1.80 -1.58 0.00 -3.53 0.00 -0.04 -4.89 105.19 96.95 1u7k n GLY 81 Ca -0.17 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.24 1u7k n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u7k n ASN 82 N -3.78 0.00 -1.46 1.61 0.23 -1.26 -1.44 115.26 109.16 1u7k n ASN 82 Ca 0.13 0.33 0.10 0.00 -0.53 0.00 0.00 54.58 54.61 1u7k n ASN 82 Cb 0.46 -0.41 0.33 0.00 -2.08 0.00 0.00 39.78 38.08 1u7k n ASN 82 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1u7k n ASP 83 N -1.41 4.28 -0.07 0.53 5.68 -1.26 -4.94 116.55 119.36 1u7k n ASP 83 Ca 0.05 -2.25 -0.01 0.00 -0.50 0.00 0.00 54.79 52.08 1u7k n ASP 83 Cb 0.14 -0.53 -0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1u7k n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u7k n GLY 84 N 1.34 0.29 3.73 6.12 0.00 -0.52 -5.00 105.19 111.14 1u7k n GLY 84 Ca 0.25 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1u7k n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u7k s ARG 85 N -1.29 2.60 0.70 1.61 0.52 -1.26 -4.83 118.95 117.00 1u7k s ARG 85 Ca 0.00 -1.21 -0.16 0.00 -0.52 0.00 0.00 55.73 53.84 1u7k s ARG 85 Cb 0.00 -2.37 0.01 0.00 0.52 0.00 0.00 34.95 33.11 1u7k s ARG 85 CO 0.00 0.39 1.14 -2.30 0.02 0.00 0.00 175.30 174.56 1u7k n PRO 86 N -0.91 0.70 -3.81 3.54 -0.02 -1.26 -0.86 135.00 132.37 1u7k n PRO 86 Ca -0.07 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 1u7k n PRO 86 Cb 0.58 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 1u7k n PRO 86 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1u7k s THR 87 N -1.69 0.00 -0.23 3.45 -1.32 -1.20 -4.67 115.64 109.97 1u7k s THR 87 Ca 0.77 -0.01 0.13 0.00 -1.21 0.00 0.00 61.69 61.37 1u7k s THR 87 Cb -0.35 -0.25 0.28 0.00 -1.51 0.00 0.00 72.50 70.67 1u7k s THR 87 CO 0.46 -0.00 1.20 0.00 -2.21 0.00 0.00 174.62 174.06 1u7k n GLN 88 N 2.97 2.34 -2.09 7.08 3.00 -1.26 -4.81 117.38 124.60 1u7k n GLN 88 Ca -0.13 -2.31 -0.43 0.00 -0.01 0.00 0.00 57.00 54.13 1u7k n GLN 88 Cb 0.59 -1.43 -0.03 0.00 0.00 0.00 0.00 30.24 29.37 1u7k n GLN 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1u7k s LEU 89 N -2.13 3.63 0.28 1.08 1.43 -1.26 -4.91 118.68 116.80 1u7k s LEU 89 Ca 0.25 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 54.61 1u7k s LEU 89 Cb 0.20 -3.53 0.50 0.00 0.03 0.00 0.00 46.19 43.39 1u7k s LEU 89 CO 0.06 -1.52 1.51 -2.65 0.23 0.00 0.00 176.35 173.97 1u7k n PRO 90 N 8.14 -0.09 -0.08 1.29 -0.02 -1.26 -0.16 135.00 142.82 1u7k n PRO 90 Ca 0.21 1.50 -0.02 0.00 -2.02 0.00 0.00 63.50 63.16 1u7k n PRO 90 Cb 0.46 -2.26 0.24 0.00 -0.02 0.00 0.00 33.50 31.92 1u7k n PRO 90 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 1u7k h ASN 91 N 0.00 0.67 -0.04 2.55 -0.00 -1.98 0.14 115.58 116.92 1u7k h ASN 91 Ca 0.49 -0.11 -0.13 0.00 -0.00 0.00 0.00 56.30 56.54 1u7k h ASN 91 Cb 0.80 -0.17 0.01 0.00 -0.00 0.00 0.00 38.32 38.96 1u7k h ASN 91 CO -0.98 0.67 -0.50 -0.33 -0.00 0.00 0.00 177.43 176.30 1u7k h GLU 92 N 0.69 0.40 -0.43 4.14 5.08 -0.95 -1.78 114.58 121.74 1u7k h GLU 92 Ca 0.15 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1u7k h GLU 92 Cb 0.28 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1u7k h GLU 92 CO 0.00 1.04 0.24 0.28 -1.00 0.00 0.00 179.01 179.57 1u7k h VAL 93 N -0.10 1.16 -0.57 3.13 2.07 -0.96 -2.15 116.25 118.83 1u7k h VAL 93 Ca -0.05 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1u7k h VAL 93 Cb 1.19 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1u7k h VAL 93 CO 0.10 0.16 0.10 0.44 0.02 0.00 0.00 177.57 178.39 1u7k h ASP 94 N 0.56 0.87 -0.08 0.57 3.32 -0.77 -0.41 116.42 120.48 1u7k h ASP 94 Ca 0.15 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 1u7k h ASP 94 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1u7k h ASP 94 CO -0.02 0.87 -0.32 0.00 -1.72 0.00 0.00 179.24 178.05 1u7k h ALA 95 N 1.23 0.96 0.00 3.45 0.00 -1.07 -2.55 119.26 121.29 1u7k h ALA 95 Ca 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1u7k h ALA 95 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1u7k h ALA 95 CO 0.01 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.74 1u7k h ALA 96 N 1.19 0.03 -2.64 0.00 0.00 -1.21 -3.42 119.26 113.20 1u7k h ALA 96 Ca 0.06 -0.56 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 1u7k h ALA 96 Cb 0.78 0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.24 1u7k h ALA 96 CO 0.06 0.07 -0.79 0.34 0.00 0.00 0.00 179.25 178.93 1u7k n PHE 97 N -4.60 1.20 -2.18 0.00 7.35 -0.18 -4.46 117.46 114.59 1u7k n PHE 97 Ca -0.12 -3.81 -0.41 0.00 -0.76 0.00 0.00 57.45 52.35 1u7k n PHE 97 Cb 0.49 -0.21 -0.03 0.00 0.35 0.00 0.00 39.48 40.09 1u7k n PHE 97 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1u7k s PRO 98 N -0.85 4.40 0.27 -7.13 0.02 -0.96 -4.61 135.00 126.15 1u7k s PRO 98 Ca 0.30 2.13 0.23 0.00 0.02 0.00 0.00 61.00 63.68 1u7k s PRO 98 Cb 0.02 -3.11 0.13 0.00 0.02 0.00 0.00 34.50 31.56 1u7k s PRO 98 CO -0.17 -0.14 1.24 -0.07 -0.33 0.00 0.00 177.00 177.53 1u7k h LEU 99 N 3.78 0.00 -9.13 -5.54 3.38 -1.94 -3.46 115.31 102.40 1u7k h LEU 99 Ca -0.48 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 56.82 1u7k h LEU 99 Cb 1.22 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.79 1u7k h LEU 99 CO 0.68 0.00 -0.79 -1.61 0.09 0.00 0.00 178.44 176.81 1u7k s GLU 100 N -3.31 1.78 -0.37 1.13 2.02 -1.26 -5.07 118.70 113.63 1u7k s GLU 100 Ca 0.02 -1.27 -0.43 0.00 0.02 0.00 0.00 54.97 53.31 1u7k s GLU 100 Cb 0.08 -2.06 -0.17 0.00 0.10 0.00 0.00 34.13 32.08 1u7k s GLU 100 CO 0.75 0.45 1.71 -2.13 0.02 0.00 0.00 175.26 176.06 1u7k n ARG 101 N 0.53 0.72 -2.25 1.61 0.63 -1.26 -4.96 116.66 111.68 1u7k n ARG 101 Ca -0.14 0.26 -0.26 0.00 -0.92 0.00 0.00 57.85 56.79 1u7k n ARG 101 Cb 0.54 -1.88 0.06 0.00 0.45 0.00 0.00 32.46 31.62 1u7k n ARG 101 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1u7k s PRO 102 N 3.47 2.46 -0.27 -0.14 0.05 -1.26 -4.99 135.00 134.32 1u7k s PRO 102 Ca 1.01 -0.14 0.05 0.00 0.05 0.00 0.00 61.00 61.98 1u7k s PRO 102 Cb -1.23 -2.19 0.50 0.00 0.05 0.00 0.00 34.50 31.63 1u7k s PRO 102 CO 0.71 -1.05 1.56 -0.40 0.05 0.00 0.00 177.00 177.87 1u7k n ASP 103 N -2.82 3.78 -4.70 6.66 5.75 -1.26 -4.97 116.55 119.00 1u7k n ASP 103 Ca 0.07 -2.98 -0.42 0.00 -0.01 0.00 0.00 54.79 51.44 1u7k n ASP 103 Cb 0.59 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1u7k n ASP 103 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1u7k s TRP 104 N -2.29 2.48 -0.36 2.11 0.51 -1.26 -4.97 118.94 115.16 1u7k s TRP 104 Ca 0.39 0.29 -0.10 0.00 -2.12 0.00 0.00 56.10 54.57 1u7k s TRP 104 Cb 0.32 -4.01 0.03 0.00 -0.81 0.00 0.00 33.47 28.99 1u7k s TRP 104 CO 0.09 -4.04 0.17 0.34 -0.51 0.00 0.00 176.95 173.00 1u7k s ASP 105 N 2.23 5.59 0.22 2.95 -1.08 -1.26 -4.97 116.67 120.35 1u7k s ASP 105 Ca 0.75 -0.95 0.19 0.00 -0.52 0.00 0.00 52.55 52.01 1u7k s ASP 105 Cb -0.42 -1.98 0.88 0.00 -1.46 0.00 0.00 42.92 39.94 1u7k s ASP 105 CO 0.33 -0.34 1.57 0.00 0.52 0.00 0.00 175.17 177.25 1u7k n TYR 106 N 4.95 0.58 1.86 -5.34 0.18 -1.26 -0.98 117.16 117.15 1u7k n TYR 106 Ca -0.12 0.27 0.16 0.00 1.88 0.00 0.00 57.90 60.08 1u7k n TYR 106 Cb 0.46 -0.93 0.86 0.00 -0.38 0.00 0.00 39.34 39.36 1u7k n TYR 106 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1u7k n THR 107 N -2.06 0.00 -4.69 -3.48 -2.24 -1.26 -4.59 114.28 95.96 1u7k n THR 107 Ca 0.01 -0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 1u7k n THR 107 Cb 0.12 -0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 67.88 1u7k n THR 107 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u7k s THR 108 N -2.07 2.84 0.42 4.28 -4.23 -0.15 -5.00 115.64 111.72 1u7k s THR 108 Ca 0.44 -1.12 0.12 0.00 -1.18 0.00 0.00 61.69 59.95 1u7k s THR 108 Cb 0.22 -2.18 0.31 0.00 1.34 0.00 0.00 72.50 72.19 1u7k s THR 108 CO 0.38 0.37 1.99 -0.61 -0.54 0.00 0.00 174.62 176.20 1u7k h GLN 109 N 4.64 0.47 -0.13 3.99 4.15 -1.87 0.13 115.11 126.48 1u7k h GLN 109 Ca -0.47 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 1u7k h GLN 109 Cb 1.15 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1u7k h GLN 109 CO 0.48 0.31 0.05 0.00 -1.93 0.00 0.00 178.83 177.74 1u7k h ARG 110 N 0.48 0.20 -0.43 1.69 3.08 -1.95 -0.86 114.38 116.59 1u7k h ARG 110 Ca 0.27 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1u7k h ARG 110 Cb 0.41 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1u7k h ARG 110 CO -0.08 0.29 0.19 0.78 -1.07 0.00 0.00 179.97 180.09 1u7k h GLY 111 N 0.05 0.67 1.00 0.04 0.00 -1.24 -2.51 103.07 101.08 1u7k h GLY 111 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1u7k h GLY 111 CO -0.00 0.32 0.31 3.21 0.00 0.00 0.00 176.54 180.38 1u7k h ARG 112 N 0.55 0.65 -0.72 4.80 3.08 -0.72 -1.47 114.38 120.55 1u7k h ARG 112 Ca 0.15 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1u7k h ARG 112 Cb 0.14 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1u7k h ARG 112 CO -0.02 0.45 0.39 -0.91 -1.07 0.00 0.00 179.97 178.81 1u7k h ASN 113 N 0.65 0.90 -0.92 7.04 4.21 -1.02 -0.08 115.58 126.37 1u7k h ASN 113 Ca 0.18 -0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1u7k h ASN 113 Cb -0.05 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 36.88 1u7k h ASN 113 CO -0.04 0.74 0.55 0.45 -1.29 0.00 0.00 177.43 177.84 1u7k h HIS 114 N 0.99 1.21 -0.35 1.19 3.86 -1.21 -1.56 115.15 119.29 1u7k h HIS 114 Ca 0.25 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1u7k h HIS 114 Cb 0.05 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 1u7k h HIS 114 CO -0.00 0.81 0.08 1.25 0.86 0.00 0.00 177.93 180.93 1u7k h LEU 115 N 1.27 0.53 -0.04 2.43 5.85 -0.43 0.19 115.31 125.12 1u7k h LEU 115 Ca 0.33 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1u7k h LEU 115 Cb -0.05 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1u7k h LEU 115 CO -0.06 0.63 -0.22 0.58 -0.34 0.00 0.00 178.44 179.03 1u7k h VAL 116 N 0.41 0.48 -0.69 1.05 2.07 -0.76 -0.72 116.25 118.09 1u7k h VAL 116 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1u7k h VAL 116 Cb 0.31 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1u7k h VAL 116 CO 0.00 0.00 0.43 0.25 0.02 0.00 0.00 177.57 178.27 1u7k h LEU 117 N -0.33 0.81 -0.30 2.57 5.85 -1.06 -1.04 115.31 121.82 1u7k h LEU 117 Ca 0.07 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1u7k h LEU 117 Cb 0.43 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1u7k h LEU 117 CO -0.23 0.62 0.13 0.22 -0.34 0.00 0.00 178.44 178.85 1u7k h TYR 118 N 0.93 0.24 -0.79 1.25 3.20 -0.18 0.71 116.97 122.34 1u7k h TYR 118 Ca 0.25 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 1u7k h TYR 118 Cb -0.05 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1u7k h TYR 118 CO -0.02 0.12 0.34 0.00 -1.64 0.00 0.00 178.16 176.97 1u7k h ARG 119 N 0.28 1.16 -0.64 1.82 3.08 -0.75 0.58 114.38 119.90 1u7k h ARG 119 Ca 0.13 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1u7k h ARG 119 Cb 0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1u7k h ARG 119 CO -0.10 0.92 0.33 1.96 -1.07 0.00 0.00 179.97 182.01 1u7k h GLN 120 N 1.13 0.91 -0.14 0.04 4.20 -0.58 -1.53 115.11 119.14 1u7k h GLN 120 Ca 0.27 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 1u7k h GLN 120 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1u7k h GLN 120 CO -0.03 0.71 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.28 1u7k h LEU 121 N 0.88 0.41 -0.38 1.46 3.38 -0.45 -1.58 115.31 119.04 1u7k h LEU 121 Ca 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u7k h LEU 121 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1u7k h LEU 121 CO -0.03 0.84 0.22 0.25 0.09 0.00 0.00 178.44 179.80 1u7k h LEU 122 N 0.30 0.46 -0.57 1.67 6.46 -0.57 0.11 115.31 123.18 1u7k h LEU 122 Ca 0.01 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1u7k h LEU 122 Cb 0.97 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1u7k h LEU 122 CO 0.08 0.40 0.33 0.25 -0.62 0.00 0.00 178.44 178.88 1u7k h LEU 123 N 0.48 0.70 -0.58 2.25 5.85 -1.01 -2.30 115.31 120.70 1u7k h LEU 123 Ca 0.13 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1u7k h LEU 123 Cb 0.03 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1u7k h LEU 123 CO -0.02 0.57 0.37 0.00 -0.34 0.00 0.00 178.44 179.02 1u7k h ALA 124 N 1.15 0.74 0.00 1.25 0.00 -0.90 -0.23 119.26 121.27 1u7k h ALA 124 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u7k h ALA 124 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1u7k h ALA 124 CO -0.03 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1u7k n GLY 125 N -1.26 0.00 1.11 0.00 0.00 0.36 -0.88 105.19 104.52 1u7k n GLY 125 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1u7k n GLY 125 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u7k n GLN 127 N 0.41 0.00 0.07 1.61 6.02 -0.10 -0.45 117.38 124.94 1u7k n GLN 127 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1u7k n GLN 127 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1u7k n GLN 127 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1u7k h ASN 128 N 0.00 0.52 0.24 1.08 2.35 -1.27 -2.72 115.58 115.78 1u7k h ASN 128 Ca 0.00 -0.43 -0.08 0.00 -0.55 0.00 0.00 56.30 55.24 1u7k h ASN 128 Cb 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1u7k h ASN 128 CO 0.00 1.23 -0.34 0.00 -1.65 0.00 0.00 177.43 176.68 1u7k h ALA 129 N 0.73 1.30 -0.43 -0.83 0.00 -1.00 -2.37 119.26 116.66 1u7k h ALA 129 Ca -0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1u7k h ALA 129 Cb 1.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1u7k h ALA 129 CO 0.17 0.49 0.06 0.78 0.00 0.00 0.00 179.25 180.75 1u7k h GLY 130 N 1.09 0.78 1.00 0.00 0.00 -1.77 -3.49 103.07 100.67 1u7k h GLY 130 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1u7k h GLY 130 CO 0.05 0.49 0.00 0.54 0.00 0.00 0.00 176.54 177.62