#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 2.18 0.00 2.45 1.43 -0.33 -1.67 118.68 122.74 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 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1u7k s LEU 2 CO 0.00 0.17 0.00 -2.11 0.23 0.00 0.00 176.35 174.64 1u7k n ARG 3 N 1.76 0.00 -1.25 1.70 1.85 -0.27 -4.36 116.66 116.09 1u7k n ARG 3 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 1u7k n ARG 3 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1u7k n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u7k n GLY 5 N 0.00 3.10 0.21 2.89 0.00 0.37 -0.25 105.19 111.51 1u7k n GLY 5 Ca 0.00 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 44.89 1u7k n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u7k n GLY 6 N 0.00 -0.62 1.72 -0.02 0.00 -1.26 -3.69 105.19 101.32 1u7k n GLY 6 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.56 4.29 -2.03 1.61 6.94 -1.26 -4.90 115.26 119.35 1u7k n ASN 7 Ca 0.19 -3.78 -0.11 0.00 -0.02 0.00 0.00 54.58 50.86 1u7k n ASN 7 Cb 0.26 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.26 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 -0.81 0.05 3.59 4.83 0.00 -1.24 -4.92 105.19 106.70 1u7k n GLY 8 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.24 2.86 0.13 1.61 -0.44 -1.26 -4.94 119.66 113.37 1u7k s GLN 9 Ca 0.00 -0.53 -0.30 0.00 -2.50 0.00 0.00 55.36 52.03 1u7k s GLN 9 Cb 0.00 -2.65 -0.07 0.00 -1.64 0.00 0.00 33.01 28.66 1u7k s GLN 9 CO 0.00 0.64 1.14 -1.17 0.50 0.00 0.00 175.29 176.40 1u7k s LEU 10 N -0.72 4.44 -0.08 3.68 2.96 -1.26 -0.48 118.68 127.21 1u7k s LEU 10 Ca 0.11 2.07 0.05 0.00 -0.22 0.00 0.00 54.13 56.14 1u7k s LEU 10 Cb -0.11 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1u7k s LEU 10 CO 0.02 -0.33 -0.24 -1.58 -1.32 0.00 0.00 176.35 172.90 1u7k s GLN 11 N 0.18 2.78 -0.12 1.98 0.74 0.65 -4.87 119.66 121.00 1u7k s GLN 11 Ca 0.53 -0.89 -0.07 0.00 0.05 0.00 0.00 55.36 54.98 1u7k s GLN 11 Cb -0.29 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.55 1u7k s GLN 11 CO 0.33 0.29 0.12 -0.47 -0.55 0.00 0.00 175.29 175.00 1u7k s TYR 12 N 0.08 3.52 -0.04 1.67 5.04 -1.26 -1.11 117.35 125.25 1u7k s TYR 12 Ca -0.11 0.46 -0.09 0.00 -2.44 0.00 0.00 57.07 54.88 1u7k s TYR 12 Cb -0.16 -1.94 0.01 0.00 0.35 0.00 0.00 41.96 40.22 1u7k s TYR 12 CO 0.06 0.65 0.22 1.67 -1.34 0.00 0.00 175.55 176.81 1u7k s TRP 13 N -0.85 -0.12 0.66 4.97 -2.14 -0.67 -5.00 118.94 115.77 1u7k s TRP 13 Ca 0.14 0.25 -0.14 0.00 2.66 0.00 0.00 56.10 59.01 1u7k s TRP 13 Cb -0.12 0.04 -0.00 0.00 -3.10 0.00 0.00 33.47 30.29 1u7k s TRP 13 CO 0.03 -0.25 1.08 -2.14 -2.66 0.00 0.00 176.95 173.01 1u7k s PRO 14 N -0.81 2.92 0.45 3.25 0.02 -1.26 -0.06 135.00 139.51 1u7k s PRO 14 Ca -0.09 1.24 -0.25 0.00 0.02 0.00 0.00 61.00 61.92 1u7k s PRO 14 Cb -0.05 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 1u7k s PRO 14 CO 0.02 -1.13 1.42 1.19 -0.33 0.00 0.00 177.00 178.16 1u7k n PHE 15 N -2.52 2.65 -2.35 6.54 0.99 -1.26 -4.71 117.46 116.80 1u7k n PHE 15 Ca 0.09 0.44 -0.41 0.00 -0.00 0.00 0.00 57.45 57.58 1u7k n PHE 15 Cb 0.53 -2.45 -0.03 0.00 -1.00 0.00 0.00 39.48 36.52 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 -0.49 7.06 0.36 4.37 0.15 -1.26 -4.92 113.70 118.98 1u7k s SER 16 Ca 0.61 2.30 0.09 0.00 0.70 0.00 0.00 55.95 59.66 1u7k s SER 16 Cb -0.45 -2.61 0.69 0.00 -1.71 0.00 0.00 66.02 61.94 1u7k s SER 16 CO 0.57 -0.37 1.85 0.77 1.20 0.00 0.00 173.24 177.26 1u7k h SER 17 N 4.87 0.20 -0.78 5.45 4.64 -2.00 -2.45 113.55 123.47 1u7k h SER 17 Ca -0.45 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 60.88 1u7k h SER 17 Cb 1.21 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 1u7k h SER 17 CO 0.73 0.44 0.46 0.28 -0.87 0.00 0.00 176.83 177.87 1u7k h SER 18 N 0.19 0.69 -0.11 4.97 0.02 -1.99 -0.26 113.55 117.06 1u7k h SER 18 Ca 0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1u7k h SER 18 Cb 0.52 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1u7k h SER 18 CO 0.04 0.43 0.05 0.44 -1.14 0.00 0.00 176.83 176.65 1u7k h ASP 19 N 0.82 0.15 -0.20 3.07 3.32 -1.84 0.05 116.42 121.79 1u7k h ASP 19 Ca 0.35 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1u7k h ASP 19 Cb 0.22 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1u7k h ASP 19 CO -0.19 0.25 0.12 -0.07 -1.72 0.00 0.00 179.24 177.62 1u7k h LEU 20 N 0.05 0.19 -0.67 1.55 3.38 -1.16 -0.01 115.31 118.63 1u7k h LEU 20 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1u7k h LEU 20 Cb 0.14 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1u7k h LEU 20 CO -0.00 0.14 -0.45 1.88 0.09 0.00 0.00 178.44 180.10 1u7k h TYR 21 N 0.24 0.61 -0.79 1.13 0.99 -1.07 -1.89 116.97 116.18 1u7k h TYR 21 Ca 0.08 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 1u7k h TYR 21 Cb -0.00 -0.13 -0.04 0.00 1.00 0.00 0.00 36.73 37.56 1u7k h TYR 21 CO -0.08 0.86 0.39 -0.91 -0.00 0.00 0.00 178.16 178.42 1u7k h ASN 22 N 0.41 1.03 -0.69 3.88 2.35 -0.66 0.13 115.58 122.03 1u7k h ASN 22 Ca 0.03 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1u7k h ASN 22 Cb 0.95 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 1u7k h ASN 22 CO 0.08 0.87 0.23 -0.50 -1.65 0.00 0.00 177.43 176.46 1u7k h TRP 23 N 1.12 1.09 -0.42 1.19 6.55 -0.74 -1.68 115.95 123.06 1u7k h TRP 23 Ca 0.27 -0.10 -0.07 0.00 0.95 0.00 0.00 58.89 59.94 1u7k h TRP 23 Cb 0.10 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 1u7k h TRP 23 CO 0.01 0.87 -0.00 -0.22 -1.05 0.00 0.00 178.44 178.05 1u7k h LYS 24 N 1.00 0.75 0.00 0.49 3.64 -0.93 -3.26 116.57 118.25 1u7k h LYS 24 Ca 0.22 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1u7k h LYS 24 Cb 0.28 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1u7k h LYS 24 CO -0.01 0.83 -0.26 -0.91 -2.27 0.00 0.00 179.45 176.82 1u7k h ASN 25 N 0.58 0.00 -0.59 4.20 2.35 -0.40 -3.03 115.58 118.70 1u7k h ASN 25 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1u7k h ASN 25 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1u7k h ASN 25 CO 0.02 0.26 0.00 0.59 -1.65 0.00 0.00 177.43 176.66 1u7k n ASN 26 N -3.31 3.23 -4.12 5.81 3.02 -0.66 -4.93 115.26 114.30 1u7k n ASN 26 Ca 0.01 -1.99 -0.12 0.00 -0.03 0.00 0.00 54.58 52.45 1u7k n ASN 26 Cb 0.51 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.04 1.01 0.94 6.41 0.01 -1.14 -5.08 114.94 116.05 1u7k s ASN 27 Ca 0.40 -0.81 -0.12 0.00 -0.71 0.00 0.00 52.86 51.62 1u7k s ASN 27 Cb 0.21 0.07 0.16 0.00 0.41 0.00 0.00 41.25 42.10 1u7k s ASN 27 CO 0.28 -0.36 1.10 -2.84 -1.51 0.00 0.00 177.10 173.77 1u7k s PRO 28 N -2.89 0.87 0.82 -0.60 0.02 -1.26 -4.93 135.00 127.03 1u7k s PRO 28 Ca 0.03 0.61 -0.11 0.00 0.02 0.00 0.00 61.00 61.55 1u7k s PRO 28 Cb -0.01 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.81 1u7k s PRO 28 CO -0.03 -2.45 1.09 -1.54 -0.33 0.00 0.00 177.00 173.74 1u7k s SER 29 N -3.52 4.08 0.29 2.53 1.04 -1.26 -4.68 113.70 112.19 1u7k s SER 29 Ca 0.64 1.76 -0.02 0.00 0.48 0.00 0.00 55.95 58.81 1u7k s SER 29 Cb -0.18 -2.43 0.42 0.00 0.10 0.00 0.00 66.02 63.93 1u7k s SER 29 CO 0.57 -2.30 1.93 0.15 0.98 0.00 0.00 173.24 174.57 1u7k h PHE 30 N -1.31 1.02 -0.28 5.02 3.57 -1.83 -1.75 116.94 121.38 1u7k h PHE 30 Ca -0.45 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 1u7k h PHE 30 Cb 1.25 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1u7k h PHE 30 CO 0.53 0.68 -0.29 0.77 -2.23 0.00 0.00 178.31 177.78 1u7k h SER 31 N 1.07 0.59 -0.40 0.41 0.02 -1.96 -1.38 113.55 111.90 1u7k h SER 31 Ca 0.28 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 1u7k h SER 31 Cb -0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1u7k h SER 31 CO -0.05 0.85 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.84 1u7k h GLU 32 N 0.50 0.93 -0.96 3.45 5.08 -1.78 -3.42 114.58 118.37 1u7k h GLU 32 Ca 0.06 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1u7k h GLU 32 Cb 0.75 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.83 1u7k h GLU 32 CO 0.06 1.11 -0.46 0.34 -1.00 0.00 0.00 179.01 179.07 1u7k s ASP 33 N -6.76 -1.43 0.48 1.42 -1.08 -0.71 -4.99 116.67 103.60 1u7k s ASP 33 Ca -0.11 -1.28 0.17 0.00 -0.52 0.00 0.00 52.55 50.80 1u7k s ASP 33 Cb 0.11 1.85 1.17 0.00 -1.46 0.00 0.00 42.92 44.59 1u7k s ASP 33 CO 0.87 -0.10 2.02 -0.65 0.52 0.00 0.00 175.17 177.83 1u7k h PRO 34 N 5.78 0.22 -0.60 4.34 0.11 -1.44 -2.47 132.00 137.94 1u7k h PRO 34 Ca 0.05 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1u7k h PRO 34 Cb 1.14 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1u7k h PRO 34 CO 0.04 0.15 0.40 0.78 -0.21 0.00 0.00 178.00 179.16 1u7k h GLY 35 N 0.23 0.78 0.62 -0.55 0.00 -1.93 -1.26 103.07 100.95 1u7k h GLY 35 Ca 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1u7k h GLY 35 CO -0.04 0.22 -0.28 0.50 0.00 0.00 0.00 176.54 176.94 1u7k h LYS 36 N 0.66 -0.75 0.00 4.80 1.79 -1.82 -1.48 116.57 119.78 1u7k h LYS 36 Ca 0.25 0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.73 1u7k h LYS 36 Cb 0.17 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1u7k h LYS 36 CO -0.07 -0.47 -0.21 -0.07 -1.08 0.00 0.00 179.45 177.55 1u7k h LEU 37 N -1.17 0.00 -0.18 2.94 3.38 -1.71 -1.81 115.31 116.76 1u7k h LEU 37 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1u7k h LEU 37 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1u7k h LEU 37 CO 0.13 0.21 0.05 0.74 0.09 0.00 0.00 178.44 179.66 1u7k h THR 38 N 0.00 1.19 -0.71 0.22 2.02 -1.16 0.65 112.91 115.13 1u7k h THR 38 Ca -0.00 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1u7k h THR 38 Cb 0.40 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1u7k h THR 38 CO 0.03 0.19 0.30 0.00 0.37 0.00 0.00 175.52 176.40 1u7k h ALA 39 N 0.86 1.18 -0.10 6.16 0.00 -1.03 0.90 119.26 127.23 1u7k h ALA 39 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1u7k h ALA 39 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1u7k h ALA 39 CO -0.00 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 181.09 1u7k h LEU 40 N 1.03 0.17 -0.71 0.00 6.46 -1.02 -2.14 115.31 119.10 1u7k h LEU 40 Ca 0.24 -0.33 -0.10 0.00 -0.12 0.00 0.00 57.88 57.57 1u7k h LEU 40 Cb 0.18 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1u7k h LEU 40 CO -0.02 0.47 -0.07 0.40 -0.62 0.00 0.00 178.44 178.59 1u7k h ILE 41 N -0.12 1.26 -0.58 4.05 2.04 -0.75 -0.75 117.51 122.65 1u7k h ILE 41 Ca 0.03 -1.18 0.09 0.00 1.00 0.00 0.00 64.86 64.79 1u7k h ILE 41 Cb 0.38 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1u7k h ILE 41 CO 0.01 0.41 0.21 -0.08 0.00 0.00 0.00 178.15 178.71 1u7k h GLU 42 N 0.83 0.38 0.01 2.37 4.81 -0.75 0.19 114.58 122.43 1u7k h GLU 42 Ca 0.14 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1u7k h GLU 42 Cb 0.59 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1u7k h GLU 42 CO 0.04 0.25 -0.00 1.03 -0.73 0.00 0.00 179.01 179.60 1u7k h SER 43 N 0.40 -0.01 -0.86 1.04 0.87 -0.91 -3.07 113.55 111.01 1u7k h SER 43 Ca 0.29 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1u7k h SER 43 Cb 0.35 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 1u7k h SER 43 CO -0.29 0.24 0.54 0.58 -0.53 0.00 0.00 176.83 177.37 1u7k h VAL 44 N -0.26 1.23 -0.72 2.23 2.07 -0.65 0.34 116.25 120.49 1u7k h VAL 44 Ca -0.00 -0.47 0.16 0.00 0.82 0.00 0.00 66.70 67.21 1u7k h VAL 44 Cb 0.26 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1u7k h VAL 44 CO 0.00 0.23 0.49 -0.07 0.02 0.00 0.00 177.57 178.24 1u7k h LEU 45 N 1.18 0.26 0.00 2.57 3.38 -0.55 -0.24 115.31 121.90 1u7k h LEU 45 Ca 0.31 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 1u7k h LEU 45 Cb -0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1u7k h LEU 45 CO -0.06 0.13 -0.60 0.74 0.09 0.00 0.00 178.44 178.74 1u7k h THR 46 N 0.28 0.96 -0.28 0.22 2.02 -1.12 -3.15 112.91 111.84 1u7k h THR 46 Ca 0.35 -1.93 -0.09 0.00 0.77 0.00 0.00 66.41 65.51 1u7k h THR 46 Cb 0.97 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1u7k h THR 46 CO -0.08 0.33 -0.22 0.71 0.37 0.00 0.00 175.52 176.62 1u7k h THR 47 N -1.00 1.26 -0.01 3.16 1.35 -0.84 -3.11 112.91 113.73 1u7k h THR 47 Ca -0.15 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1u7k h THR 47 Cb 0.94 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1u7k h THR 47 CO -0.09 0.39 -0.62 1.41 -0.25 0.00 0.00 175.52 176.36 1u7k n HIS 48 N -4.13 0.00 -4.09 4.73 8.25 -0.12 -4.95 115.22 114.91 1u7k n HIS 48 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1u7k n HIS 48 Cb 0.39 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.44 -0.40 -2.02 -0.41 6.02 -1.18 -1.18 117.38 117.76 1u7k n GLN 49 Ca 0.08 0.02 -0.39 0.00 -0.01 0.00 0.00 57.00 56.70 1u7k n GLN 49 Cb 0.43 -2.38 0.01 0.00 1.02 0.00 0.00 30.24 29.31 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 -7.25 3.71 1.12 -1.09 0.04 -1.26 -2.75 135.00 127.52 1u7k s PRO 50 Ca 0.36 2.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 1u7k s PRO 50 Cb -0.20 -2.55 0.26 0.00 0.04 0.00 0.00 34.50 32.05 1u7k s PRO 50 CO 0.90 -0.69 1.20 0.95 0.04 0.00 0.00 177.00 179.40 1u7k s THR 51 N -1.34 1.74 0.21 1.26 -4.23 -1.26 -4.77 115.64 107.24 1u7k s THR 51 Ca 0.62 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.03 1u7k s THR 51 Cb -0.37 -2.70 0.14 0.00 1.34 0.00 0.00 72.50 70.92 1u7k s THR 51 CO 0.46 0.00 1.85 -0.25 -0.54 0.00 0.00 174.62 176.14 1u7k h TRP 52 N -2.25 0.82 -0.67 3.99 7.01 -1.96 -0.09 115.95 122.80 1u7k h TRP 52 Ca -0.44 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.52 1u7k h TRP 52 Cb 1.26 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 28.03 1u7k h TRP 52 CO -1.91 0.48 0.18 -0.44 -2.79 0.00 0.00 178.44 173.95 1u7k h ASP 53 N 0.86 1.00 -0.73 2.65 3.32 -2.00 -1.85 116.42 119.68 1u7k h ASP 53 Ca 0.28 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1u7k h ASP 53 Cb 0.00 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1u7k h ASP 53 CO -0.10 0.97 0.47 0.44 -1.72 0.00 0.00 179.24 179.30 1u7k h ASP 54 N 0.99 0.80 -0.94 6.45 3.32 -1.75 -1.15 116.42 124.13 1u7k h ASP 54 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1u7k h ASP 54 Cb 0.35 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1u7k h ASP 54 CO -0.00 0.56 0.59 0.00 -1.72 0.00 0.00 179.24 178.67 1u7k h GLN 56 N 1.28 1.18 -0.19 0.00 1.08 -0.59 -0.47 115.11 117.40 1u7k h GLN 56 Ca 0.34 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1u7k h GLN 56 Cb -0.10 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.14 1u7k h GLN 56 CO -0.07 0.98 0.08 1.96 -0.95 0.00 0.00 178.83 180.83 1u7k h GLN 57 N 1.14 0.29 0.32 1.46 4.20 -0.42 0.16 115.11 122.26 1u7k h GLN 57 Ca 0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1u7k h GLN 57 Cb 0.27 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1u7k h GLN 57 CO -0.01 0.36 -0.24 1.25 -0.67 0.00 0.00 178.83 179.52 1u7k h LEU 58 N 0.16 -0.61 -0.68 1.46 5.85 -0.57 -1.59 115.31 119.33 1u7k h LEU 58 Ca 0.06 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1u7k h LEU 58 Cb 0.18 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1u7k h LEU 58 CO -0.01 -0.36 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.65 1u7k h LEU 59 N -0.56 0.99 -1.90 2.25 3.38 -1.05 -1.45 115.31 116.98 1u7k h LEU 59 Ca -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1u7k h LEU 59 Cb 0.48 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1u7k h LEU 59 CO -0.00 1.05 -0.12 1.23 0.09 0.00 0.00 178.44 180.69 1u7k h GLY 60 N 0.99 0.00 0.53 0.83 0.00 -0.57 -0.35 103.07 104.51 1u7k h GLY 60 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.17 1u7k h GLY 60 CO 0.03 0.00 -1.73 -0.84 0.00 0.00 0.00 176.54 174.00 1u7k h THR 61 N 0.00 0.79 0.00 4.70 2.02 -0.95 -3.40 112.91 116.07 1u7k h THR 61 Ca -0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1u7k h THR 61 Cb 0.26 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1u7k h THR 61 CO 0.02 0.76 -0.89 -0.07 0.37 0.00 0.00 175.52 175.70 1u7k h LEU 62 N -0.18 0.00 -9.04 2.58 3.38 -1.11 -3.46 115.31 107.48 1u7k h LEU 62 Ca -0.38 -0.03 -0.68 0.00 0.09 0.00 0.00 57.88 56.88 1u7k h LEU 62 Cb 1.87 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 42.42 1u7k h LEU 62 CO 0.04 0.01 -0.81 -0.76 0.09 0.00 0.00 178.44 177.01 1u7k s LEU 63 N -5.29 2.61 1.01 1.67 1.43 -0.15 -4.66 118.68 115.29 1u7k s LEU 63 Ca 0.01 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 1u7k s LEU 63 Cb 0.10 -1.48 0.19 0.00 0.03 0.00 0.00 46.19 45.03 1u7k s LEU 63 CO 0.78 0.19 1.14 0.42 0.23 0.00 0.00 176.35 179.11 1u7k s THR 64 N -1.09 1.91 0.18 5.49 -4.23 -1.26 -4.64 115.64 112.00 1u7k s THR 64 Ca 0.17 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.55 1u7k s THR 64 Cb -0.10 -2.66 0.08 0.00 1.34 0.00 0.00 72.50 71.16 1u7k s THR 64 CO 0.09 0.00 1.81 1.23 -0.54 0.00 0.00 174.62 177.20 1u7k h GLY 65 N -1.86 0.76 1.07 3.99 0.00 -1.95 0.31 103.07 105.39 1u7k h GLY 65 Ca -0.50 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 46.51 1u7k h GLY 65 CO 0.52 0.17 -0.08 0.83 0.00 0.00 0.00 176.54 177.98 1u7k h GLU 66 N 0.59 0.99 0.03 4.80 5.08 -1.99 -0.73 114.58 123.35 1u7k h GLU 66 Ca 0.23 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1u7k h GLU 66 Cb 0.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1u7k h GLU 66 CO -0.13 1.03 -0.01 0.93 -1.00 0.00 0.00 179.01 179.83 1u7k h GLU 67 N 0.86 -0.04 -0.30 2.33 5.08 -1.86 -2.06 114.58 118.58 1u7k h GLU 67 Ca 0.14 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1u7k h GLU 67 Cb 0.63 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1u7k h GLU 67 CO 0.04 0.05 0.12 -0.22 -1.00 0.00 0.00 179.01 178.00 1u7k h LYS 68 N -0.12 0.26 -0.76 2.33 3.64 -0.78 -1.37 116.57 119.76 1u7k h LYS 68 Ca -0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1u7k h LYS 68 Cb 0.11 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1u7k h LYS 68 CO 0.01 0.17 0.50 0.37 -2.27 0.00 0.00 179.45 178.23 1u7k h GLN 69 N 0.26 0.99 -0.50 1.90 5.75 -1.05 -0.69 115.11 121.77 1u7k h GLN 69 Ca 0.13 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1u7k h GLN 69 Cb 0.09 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1u7k h GLN 69 CO -0.12 0.65 0.11 -0.09 -2.65 0.00 0.00 178.83 176.73 1u7k h ARG 70 N 1.01 0.81 -0.21 1.69 2.43 -0.79 -1.16 114.38 118.17 1u7k h ARG 70 Ca 0.28 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1u7k h ARG 70 Cb -0.10 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1u7k h ARG 70 CO -0.06 0.79 0.08 0.28 -1.51 0.00 0.00 179.97 179.55 1u7k h VAL 71 N 0.70 1.17 -0.50 0.20 2.07 -0.51 -1.08 116.25 118.30 1u7k h VAL 71 Ca 0.16 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1u7k h VAL 71 Cb 0.36 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1u7k h VAL 71 CO 0.00 0.17 -0.02 -0.07 0.02 0.00 0.00 177.57 177.67 1u7k h LEU 72 N 0.19 0.83 -0.34 2.57 3.38 -1.08 0.31 115.31 121.18 1u7k h LEU 72 Ca 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1u7k h LEU 72 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1u7k h LEU 72 CO -0.00 0.91 0.22 -0.07 0.09 0.00 0.00 178.44 179.58 1u7k h LEU 73 N 0.79 0.39 -0.85 1.67 3.38 -1.04 -1.60 115.31 118.05 1u7k h LEU 73 Ca 0.15 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1u7k h LEU 73 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1u7k h LEU 73 CO 0.03 0.30 -0.43 -0.33 0.09 0.00 0.00 178.44 178.10 1u7k h GLU 74 N 0.45 0.32 -0.60 1.13 4.39 -0.89 -2.58 114.58 116.79 1u7k h GLU 74 Ca 0.12 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1u7k h GLU 74 Cb -0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1u7k h GLU 74 CO -0.03 0.69 0.21 0.00 -1.16 0.00 0.00 179.01 178.73 1u7k h ALA 75 N 1.29 0.78 0.00 3.43 0.00 -0.63 -2.63 119.26 121.50 1u7k h ALA 75 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1u7k h ALA 75 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1u7k h ALA 75 CO 0.07 0.42 -0.25 0.00 0.00 0.00 0.00 179.25 179.48 1u7k h ARG 76 N 0.83 0.00 0.00 0.00 3.08 -1.11 -1.55 114.38 115.64 1u7k h ARG 76 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1u7k h ARG 76 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1u7k h ARG 76 CO -0.01 0.25 0.00 1.63 -1.07 0.00 0.00 179.97 180.77 1u7k n LYS 77 N -3.76 0.14 -0.66 0.04 5.02 -0.99 -3.40 118.16 114.55 1u7k n LYS 77 Ca -0.01 0.19 0.08 0.00 -2.02 0.00 0.00 58.31 56.54 1u7k n LYS 77 Cb 0.36 -1.69 0.35 0.00 -0.02 0.00 0.00 35.03 34.02 1u7k n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u7k n ALA 78 N -1.66 3.30 -1.77 7.82 0.00 -0.59 -4.92 120.51 122.69 1u7k n ALA 78 Ca 0.05 -1.82 -0.38 0.00 0.00 0.00 0.00 53.44 51.30 1u7k n ALA 78 Cb 0.34 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.30 3.91 0.23 0.00 1.01 -1.22 -5.00 120.40 117.03 1u7k s VAL 79 Ca 0.49 1.65 0.11 0.00 0.00 0.00 0.00 61.98 64.23 1u7k s VAL 79 Cb 0.35 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1u7k s VAL 79 CO 0.18 0.19 -0.14 -0.13 0.00 0.00 0.00 175.10 175.20 1u7k s ARG 80 N -1.95 1.86 0.61 2.72 0.52 -1.26 -1.90 118.95 119.55 1u7k s ARG 80 Ca 0.50 -1.51 -0.02 0.00 -0.52 0.00 0.00 55.73 54.18 1u7k s ARG 80 Cb -0.23 -1.97 0.13 0.00 0.52 0.00 0.00 34.95 33.40 1u7k s ARG 80 CO 0.29 0.38 0.84 0.41 0.02 0.00 0.00 175.30 177.24 1u7k n GLY 81 N -0.28 0.34 0.04 -3.53 0.00 0.45 -4.79 105.19 97.42 1u7k n GLY 81 Ca -0.09 -1.97 0.06 0.00 0.00 0.00 0.00 46.02 44.03 1u7k n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u7k n ASN 82 N -3.05 0.18 -0.31 1.61 3.02 -1.26 -1.24 115.26 114.21 1u7k n ASN 82 Ca 0.13 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.37 1u7k n ASN 82 Cb 0.47 -0.59 0.44 0.00 -0.61 0.00 0.00 39.78 39.49 1u7k n ASN 82 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1u7k n ASP 83 N -1.71 1.13 0.00 6.41 5.68 -1.26 -4.92 116.55 121.88 1u7k n ASP 83 Ca 0.02 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1u7k n ASP 83 Cb 0.11 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 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 1.28 0.47 3.57 6.12 0.00 -0.38 -5.05 105.19 111.21 1u7k n GLY 84 Ca 0.15 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.27 2.06 0.46 1.61 0.52 -1.26 -4.86 118.95 116.22 1u7k s ARG 85 Ca 0.00 -1.35 -0.24 0.00 -0.52 0.00 0.00 55.73 53.62 1u7k s ARG 85 Cb 0.00 -2.12 -0.09 0.00 0.52 0.00 0.00 34.95 33.27 1u7k s ARG 85 CO 0.00 0.41 1.17 -2.30 0.02 0.00 0.00 175.30 174.60 1u7k n PRO 86 N -0.22 1.59 -3.89 3.54 -0.02 -1.26 -0.41 135.00 134.33 1u7k n PRO 86 Ca -0.09 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1u7k n PRO 86 Cb 0.57 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.28 0.05 -0.04 3.45 -1.32 -0.80 -4.64 115.64 111.06 1u7k s THR 87 Ca 0.65 -0.40 0.05 0.00 -1.21 0.00 0.00 61.69 60.79 1u7k s THR 87 Cb -0.49 -0.22 0.08 0.00 -1.51 0.00 0.00 72.50 70.36 1u7k s THR 87 CO 0.55 -0.22 1.04 0.00 -2.21 0.00 0.00 174.62 173.78 1u7k n GLN 88 N 2.31 2.50 -1.89 7.08 3.00 -1.26 -4.55 117.38 124.57 1u7k n GLN 88 Ca -0.18 -1.80 -0.42 0.00 -0.01 0.00 0.00 57.00 54.59 1u7k n GLN 88 Cb 0.57 -1.14 -0.03 0.00 0.00 0.00 0.00 30.24 29.65 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 -1.53 4.36 0.30 1.08 1.43 -1.26 -4.87 118.68 118.20 1u7k s LEU 89 Ca 0.09 2.39 0.06 0.00 -1.03 0.00 0.00 54.13 55.64 1u7k s LEU 89 Cb 0.08 -3.53 0.77 0.00 0.03 0.00 0.00 46.19 43.54 1u7k s LEU 89 CO 0.01 -0.97 1.72 -0.65 0.23 0.00 0.00 176.35 176.69 1u7k h PRO 90 N 9.93 0.51 -0.53 1.29 0.11 -1.98 0.11 132.00 141.44 1u7k h PRO 90 Ca -0.43 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1u7k h PRO 90 Cb 1.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1u7k h PRO 90 CO 0.95 0.34 0.01 -2.95 -0.21 0.00 0.00 178.00 176.13 1u7k h ASN 91 N 0.52 0.86 0.38 -2.05 7.08 -1.99 0.15 115.58 120.54 1u7k h ASN 91 Ca 0.58 -0.22 -0.20 0.00 -3.08 0.00 0.00 56.30 53.39 1u7k h ASN 91 Cb 1.07 -0.23 -0.00 0.00 -2.08 0.00 0.00 38.32 37.07 1u7k h ASN 91 CO -0.48 0.92 -0.84 -0.33 -2.08 0.00 0.00 177.43 174.62 1u7k h GLU 92 N 0.83 0.34 0.02 4.14 5.08 -1.51 -1.93 114.58 121.55 1u7k h GLU 92 Ca 0.16 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1u7k h GLU 92 Cb 0.48 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1u7k h GLU 92 CO 0.02 1.00 -0.01 0.28 -1.00 0.00 0.00 179.01 179.30 1u7k h VAL 93 N 0.21 1.21 -0.16 3.13 2.07 -0.58 -2.25 116.25 119.88 1u7k h VAL 93 Ca -0.05 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1u7k h VAL 93 Cb 1.45 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1u7k h VAL 93 CO 0.14 0.19 -0.18 0.44 0.02 0.00 0.00 177.57 178.18 1u7k h ASP 94 N -0.35 0.26 0.18 0.57 5.19 -0.74 -0.21 116.42 121.33 1u7k h ASP 94 Ca -0.00 -0.06 -0.17 0.00 -0.62 0.00 0.00 57.03 56.17 1u7k h ASP 94 Cb 0.33 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1u7k h ASP 94 CO 0.01 0.46 -0.65 0.00 -3.12 0.00 0.00 179.24 175.93 1u7k h ALA 95 N 1.57 0.66 0.12 3.45 0.00 -1.28 -2.79 119.26 120.99 1u7k h ALA 95 Ca 0.05 -0.56 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1u7k h ALA 95 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1u7k h ALA 95 CO 0.03 0.73 -1.61 0.00 0.00 0.00 0.00 179.25 178.39 1u7k h ALA 96 N 0.98 0.30 -2.08 0.00 0.00 -1.17 -3.42 119.26 113.87 1u7k h ALA 96 Ca -0.01 -1.16 -0.57 0.00 0.00 0.00 0.00 54.91 53.17 1u7k h ALA 96 Cb 1.20 0.35 -0.39 0.00 0.00 0.00 0.00 17.79 18.96 1u7k h ALA 96 CO 0.11 1.17 -1.06 0.34 0.00 0.00 0.00 179.25 179.81 1u7k n PHE 97 N -3.45 -0.23 -2.07 0.00 7.35 -0.11 -4.33 117.46 114.62 1u7k n PHE 97 Ca -0.19 -3.56 -0.40 0.00 -0.76 0.00 0.00 57.45 52.54 1u7k n PHE 97 Cb 1.05 -0.27 -0.01 0.00 0.35 0.00 0.00 39.48 40.60 1u7k n PHE 97 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1u7k s PRO 98 N -1.05 4.23 0.18 -7.13 0.04 -1.05 -4.63 135.00 125.59 1u7k s PRO 98 Ca 0.35 2.23 0.23 0.00 0.04 0.00 0.00 61.00 63.85 1u7k s PRO 98 Cb 0.15 -2.97 0.16 0.00 0.04 0.00 0.00 34.50 31.87 1u7k s PRO 98 CO -0.12 -0.30 1.19 -0.07 0.04 0.00 0.00 177.00 177.74 1u7k h LEU 99 N 3.15 0.00 -9.35 -3.56 3.38 -1.94 -3.46 115.31 103.52 1u7k h LEU 99 Ca -0.49 -0.09 -0.62 0.00 0.09 0.00 0.00 57.88 56.76 1u7k h LEU 99 Cb 1.23 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 1u7k h LEU 99 CO 0.64 0.05 -0.71 -1.61 0.09 0.00 0.00 178.44 176.90 1u7k s GLU 100 N -3.27 2.11 -0.07 1.13 0.41 -1.26 -5.06 118.70 112.68 1u7k s GLU 100 Ca 0.03 -1.26 -0.35 0.00 -0.41 0.00 0.00 54.97 52.98 1u7k s GLU 100 Cb 0.11 -2.18 -0.13 0.00 -1.78 0.00 0.00 34.13 30.15 1u7k s GLU 100 CO 0.76 0.43 1.81 -2.13 -0.49 0.00 0.00 175.26 175.64 1u7k n ARG 101 N -0.02 2.03 -2.16 1.61 0.63 -1.26 -4.97 116.66 112.53 1u7k n ARG 101 Ca -0.10 0.74 -0.27 0.00 -0.92 0.00 0.00 57.85 57.30 1u7k n ARG 101 Cb 0.56 -2.56 0.05 0.00 0.45 0.00 0.00 32.46 30.96 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 3.50 2.57 -0.10 -0.14 0.04 -1.26 -4.97 135.00 134.65 1u7k s PRO 102 Ca 0.91 0.04 0.05 0.00 0.04 0.00 0.00 61.00 62.05 1u7k s PRO 102 Cb -0.74 -2.14 0.33 0.00 0.04 0.00 0.00 34.50 31.98 1u7k s PRO 102 CO 0.51 -1.05 1.01 -0.40 0.04 0.00 0.00 177.00 177.11 1u7k n ASP 103 N -2.87 2.92 -4.69 6.66 5.68 -1.26 -4.95 116.55 118.03 1u7k n ASP 103 Ca 0.07 -2.38 -0.44 0.00 -0.50 0.00 0.00 54.79 51.54 1u7k n ASP 103 Cb 0.59 -0.58 -0.04 0.00 -1.14 0.00 0.00 41.12 39.96 1u7k n ASP 103 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1u7k n TRP 104 N 0.24 2.53 -3.79 2.11 8.01 -1.26 -4.98 117.44 120.30 1u7k n TRP 104 Ca 0.12 0.02 -0.37 0.00 -1.31 0.00 0.00 57.50 55.95 1u7k n TRP 104 Cb 0.64 -2.66 -0.13 0.00 -2.01 0.00 0.00 31.31 27.15 1u7k n TRP 104 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1u7k s ASP 105 N 2.04 5.14 0.00 -0.99 -1.08 -1.26 -4.98 116.67 115.54 1u7k s ASP 105 Ca 0.81 -1.06 0.10 0.00 -0.52 0.00 0.00 52.55 51.88 1u7k s ASP 105 Cb -0.56 -1.83 0.51 0.00 -1.46 0.00 0.00 42.92 39.58 1u7k s ASP 105 CO 0.38 -0.28 1.23 0.00 0.52 0.00 0.00 175.17 177.02 1u7k n TYR 106 N 4.78 0.00 1.01 -5.34 0.18 -1.26 -1.02 117.16 115.51 1u7k n TYR 106 Ca -0.13 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.77 1u7k n TYR 106 Cb 0.45 -0.31 0.36 0.00 -0.38 0.00 0.00 39.34 39.46 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 -1.31 0.00 -4.00 -3.48 -2.24 -1.26 -4.64 114.28 97.34 1u7k n THR 107 Ca 0.05 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 1u7k n THR 107 Cb 0.09 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.99 4.95 0.21 4.28 -4.23 -0.19 -5.01 115.64 112.66 1u7k s THR 108 Ca 0.12 -0.80 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1u7k s THR 108 Cb 0.18 -3.50 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1u7k s THR 108 CO 0.65 -0.04 1.68 -0.61 -0.54 0.00 0.00 174.62 175.75 1u7k h GLN 109 N 2.49 0.98 -0.61 3.99 4.15 -1.89 -2.03 115.11 122.20 1u7k h GLN 109 Ca -0.48 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 58.62 1u7k h GLN 109 Cb 1.19 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 1u7k h GLN 109 CO 0.67 0.97 0.31 0.00 -1.93 0.00 0.00 178.83 178.86 1u7k h ARG 110 N 0.90 0.86 -0.26 1.69 3.08 -1.95 0.44 114.38 119.14 1u7k h ARG 110 Ca 0.16 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1u7k h ARG 110 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1u7k h ARG 110 CO 0.03 0.68 0.07 0.78 -1.07 0.00 0.00 179.97 180.45 1u7k h GLY 111 N 0.83 0.45 0.95 0.04 0.00 -1.62 -0.85 103.07 102.86 1u7k h GLY 111 Ca 0.21 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1u7k h GLY 111 CO -0.03 0.26 0.41 3.21 0.00 0.00 0.00 176.54 180.38 1u7k h ARG 112 N 0.25 0.79 -0.80 4.80 3.08 -1.19 -0.48 114.38 120.84 1u7k h ARG 112 Ca 0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1u7k h ARG 112 Cb 0.27 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1u7k h ARG 112 CO 0.00 0.52 0.33 -0.91 -1.07 0.00 0.00 179.97 178.85 1u7k h ASN 113 N 0.82 1.09 -0.57 7.04 2.35 -0.73 -1.37 115.58 124.20 1u7k h ASN 113 Ca 0.24 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1u7k h ASN 113 Cb -0.05 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.01 1u7k h ASN 113 CO -0.07 0.95 0.27 0.45 -1.65 0.00 0.00 177.43 177.38 1u7k h HIS 114 N 1.15 0.86 -0.33 1.19 3.86 -0.70 -2.45 115.15 118.74 1u7k h HIS 114 Ca 0.27 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 1u7k h HIS 114 Cb 0.19 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1u7k h HIS 114 CO 0.02 0.65 -0.13 -0.07 0.86 0.00 0.00 177.93 179.25 1u7k h LEU 115 N 0.86 0.68 -0.49 2.43 3.38 -0.25 0.40 115.31 122.32 1u7k h LEU 115 Ca 0.21 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1u7k h LEU 115 Cb 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1u7k h LEU 115 CO -0.02 0.92 0.24 0.58 0.09 0.00 0.00 178.44 180.25 1u7k h VAL 116 N 0.44 0.95 -0.33 1.22 2.07 -1.19 -0.56 116.25 118.85 1u7k h VAL 116 Ca 0.08 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1u7k h VAL 116 Cb 0.65 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1u7k h VAL 116 CO 0.04 0.09 0.05 0.25 0.02 0.00 0.00 177.57 178.02 1u7k h LEU 117 N 0.47 0.52 -0.60 2.57 5.85 -1.30 -1.75 115.31 121.07 1u7k h LEU 117 Ca 0.22 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1u7k h LEU 117 Cb 0.13 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1u7k h LEU 117 CO -0.16 0.65 0.33 0.22 -0.34 0.00 0.00 178.44 179.14 1u7k h TYR 118 N 0.37 0.61 -0.48 1.25 3.20 -0.56 -0.41 116.97 120.95 1u7k h TYR 118 Ca 0.10 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1u7k h TYR 118 Cb 0.35 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1u7k h TYR 118 CO 0.02 0.31 -0.06 0.00 -1.64 0.00 0.00 178.16 176.79 1u7k h ARG 119 N 0.63 0.85 -0.52 1.82 3.08 -0.98 -0.68 114.38 118.58 1u7k h ARG 119 Ca 0.26 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1u7k h ARG 119 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1u7k h ARG 119 CO -0.16 0.89 0.24 1.96 -1.07 0.00 0.00 179.97 181.83 1u7k h GLN 120 N 0.77 0.76 -0.32 0.04 4.20 -0.63 -1.67 115.11 118.26 1u7k h GLN 120 Ca 0.14 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1u7k h GLN 120 Cb 0.55 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1u7k h GLN 120 CO 0.03 0.64 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.48 1u7k h LEU 121 N 0.70 0.67 -0.56 1.46 3.38 -0.87 -1.88 115.31 118.21 1u7k h LEU 121 Ca 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1u7k h LEU 121 Cb 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1u7k h LEU 121 CO -0.02 0.92 0.37 0.25 0.09 0.00 0.00 178.44 180.04 1u7k h LEU 122 N 0.57 0.65 -0.51 1.67 6.46 -0.85 0.16 115.31 123.44 1u7k h LEU 122 Ca 0.07 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1u7k h LEU 122 Cb 0.77 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1u7k h LEU 122 CO 0.06 0.48 0.30 0.25 -0.62 0.00 0.00 178.44 178.91 1u7k h LEU 123 N 0.76 0.63 -0.48 2.25 5.85 -1.02 -2.43 115.31 120.86 1u7k h LEU 123 Ca 0.20 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1u7k h LEU 123 Cb -0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1u7k h LEU 123 CO -0.04 0.52 0.27 0.00 -0.34 0.00 0.00 178.44 178.85 1u7k h ALA 124 N 1.13 0.62 0.00 1.25 0.00 -0.81 -0.75 119.26 120.70 1u7k h ALA 124 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1u7k h ALA 124 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1u7k h ALA 124 CO -0.03 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1u7k n GLY 125 N -1.24 0.15 1.17 0.00 0.00 0.50 -0.83 105.19 104.95 1u7k n GLY 125 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.79 0.00 -0.10 1.61 6.02 -0.29 -1.07 117.38 124.33 1u7k n GLN 127 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1u7k n GLN 127 Cb 0.03 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.33 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 0.88 -0.70 1.08 2.35 -1.24 -1.17 115.58 116.78 1u7k h ASN 128 Ca 0.00 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 1u7k h ASN 128 Cb 0.00 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1u7k h ASN 128 CO 0.00 1.11 0.22 0.00 -1.65 0.00 0.00 177.43 177.11 1u7k h ALA 129 N 0.94 1.04 -0.36 -0.83 0.00 -1.34 -2.73 119.26 115.98 1u7k h ALA 129 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1u7k h ALA 129 Cb 0.84 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1u7k h ALA 129 CO 0.07 0.65 0.23 0.78 0.00 0.00 0.00 179.25 180.98 1u7k h GLY 130 N 1.10 0.51 1.00 0.00 0.00 -1.71 -3.50 103.07 100.46 1u7k h GLY 130 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1u7k h GLY 130 CO -0.01 0.19 0.00 0.54 0.00 0.00 0.00 176.54 177.26