#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6k s SER 5 N 0.00 4.73 0.21 7.72 1.04 -1.26 -4.89 113.70 121.25 2o6k s SER 5 Ca 0.00 0.54 -0.10 0.00 0.48 0.00 0.00 55.95 56.88 2o6k s SER 5 Cb 0.00 -1.15 0.19 0.00 0.10 0.00 0.00 66.02 65.16 2o6k s SER 5 CO 0.00 -1.68 1.86 0.15 0.98 0.00 0.00 173.24 174.55 2o6k h PHE 6 N -0.72 0.89 -0.34 5.02 3.57 -1.80 -1.73 116.94 121.82 2o6k h PHE 6 Ca -0.45 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.10 2o6k h PHE 6 Cb 1.32 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2o6k h PHE 6 CO 0.33 0.52 0.16 -0.92 -2.23 0.00 0.00 178.31 176.17 2o6k h TYR 7 N 0.94 0.29 -0.31 0.41 3.20 -1.80 0.13 116.97 119.84 2o6k h TYR 7 Ca 0.29 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2o6k h TYR 7 Cb -0.02 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2o6k h TYR 7 CO -0.03 0.15 0.19 1.96 -1.64 0.00 0.00 178.16 178.79 2o6k h GLN 8 N 0.33 0.38 -0.31 1.82 4.20 -1.68 -2.11 115.11 117.75 2o6k h GLN 8 Ca 0.14 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.89 2o6k h GLN 8 Cb 0.07 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 2o6k h GLN 8 CO -0.11 0.25 -0.04 0.35 -0.67 0.00 0.00 178.83 178.61 2o6k h PHE 9 N 0.39 -0.09 0.00 2.96 3.57 -0.93 -3.05 116.94 119.79 2o6k h PHE 9 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2o6k h PHE 9 Cb -0.02 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2o6k h PHE 9 CO -0.07 -0.09 0.00 0.28 -2.23 0.00 0.00 178.31 176.20 2o6k n VAL 10 N -5.21 0.00 0.00 1.41 0.31 0.42 -2.82 118.33 112.43 2o6k n VAL 10 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2o6k n VAL 10 Cb 0.17 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2o6k n VAL 10 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2o6k n THR 12 N 1.38 0.00 0.15 2.52 -2.24 -1.16 -2.59 114.28 112.34 2o6k n THR 12 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2o6k n THR 12 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 2o6k n THR 12 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2o6k h VAL 13 N 0.00 0.42 -2.42 2.28 2.07 -1.84 -3.47 116.25 113.29 2o6k h VAL 13 Ca 0.00 -1.64 -0.61 0.00 0.82 0.00 0.00 66.70 65.27 2o6k h VAL 13 Cb 0.00 2.11 0.09 0.00 -1.52 0.00 0.00 31.29 31.97 2o6k h VAL 13 CO 0.00 0.24 0.38 0.54 0.02 0.00 0.00 177.57 178.75 2o6k n ARG 14 N -3.07 1.58 0.00 1.57 1.74 -1.07 -1.74 116.66 115.67 2o6k n ARG 14 Ca 0.01 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2o6k n ARG 14 Cb 0.66 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2o6k n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2o6k n GLY 15 N 1.79 3.03 3.70 -0.13 0.00 -1.26 -5.05 105.19 107.27 2o6k n GLY 15 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2o6k n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2o6k n ARG 16 N -0.91 2.20 -1.62 1.61 0.63 -0.71 -4.85 116.66 113.01 2o6k n ARG 16 Ca 0.00 0.78 -0.30 0.00 -0.92 0.00 0.00 57.85 57.40 2o6k n ARG 16 Cb 0.00 -2.41 -0.05 0.00 0.45 0.00 0.00 32.46 30.45 2o6k n ARG 16 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2o6k n HIS 17 N 0.98 1.83 -3.35 -0.14 8.25 -1.26 -4.02 115.22 117.51 2o6k n HIS 17 Ca 0.07 -2.20 0.00 0.00 -0.26 0.00 0.00 57.72 55.33 2o6k n HIS 17 Cb 0.35 -1.54 0.00 0.00 1.12 0.00 0.00 29.99 29.92 2o6k n HIS 17 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2o6k n ASP 18 N 1.24 0.00 -0.07 0.41 5.75 -1.26 -5.02 116.55 117.60 2o6k n ASP 18 Ca 0.53 -0.95 0.02 0.00 -0.01 0.00 0.00 54.79 54.39 2o6k n ASP 18 Cb 0.47 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 40.92 2o6k n ASP 18 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2o6k h ASP 19 N 0.00 0.61 -0.50 -1.12 3.32 -1.99 -0.58 116.42 116.16 2o6k h ASP 19 Ca 0.00 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2o6k h ASP 19 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2o6k h ASP 19 CO 0.00 0.45 0.08 0.11 -1.72 0.00 0.00 179.24 178.16 2o6k h LYS 20 N 0.71 0.83 -0.45 3.56 1.57 -1.93 0.35 116.57 121.21 2o6k h LYS 20 Ca 0.19 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 2o6k h LYS 20 Cb -0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2o6k h LYS 20 CO -0.04 0.83 -0.06 0.78 -0.57 0.00 0.00 179.45 180.40 2o6k h GLY 21 N 0.71 0.83 0.98 3.86 0.00 -1.42 0.12 103.07 108.15 2o6k h GLY 21 Ca 0.15 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 2o6k h GLY 21 CO 0.01 0.54 -0.07 3.21 0.00 0.00 0.00 176.54 180.23 2o6k h ARG 22 N 0.71 0.79 -0.29 4.80 3.08 -0.81 -1.97 114.38 120.69 2o6k h ARG 22 Ca 0.13 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 2o6k h ARG 22 Cb 0.51 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2o6k h ARG 22 CO 0.03 0.90 -0.22 1.25 -1.07 0.00 0.00 179.97 180.86 2o6k h LEU 23 N 0.61 0.55 -0.65 3.04 5.85 -0.66 -2.36 115.31 121.69 2o6k h LEU 23 Ca 0.11 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2o6k h LEU 23 Cb 0.59 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2o6k h LEU 23 CO 0.04 0.77 0.40 0.00 -0.34 0.00 0.00 178.44 179.30 2o6k h ALA 24 N 1.28 0.84 -0.44 1.25 0.00 -0.49 0.98 119.26 122.68 2o6k h ALA 24 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2o6k h ALA 24 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2o6k h ALA 24 CO 0.05 0.14 -0.10 1.49 0.00 0.00 0.00 179.25 180.83 2o6k h GLU 25 N 0.77 0.78 -0.40 0.00 4.57 -0.93 -1.07 114.58 118.30 2o6k h GLU 25 Ca 0.26 -0.26 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 2o6k h GLU 25 Cb 0.03 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2o6k h GLU 25 CO -0.11 0.85 -0.33 0.93 -1.18 0.00 0.00 179.01 179.18 2o6k h GLU 26 N 0.71 0.90 -0.89 1.92 5.08 -0.87 -0.26 114.58 121.17 2o6k h GLU 26 Ca 0.12 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2o6k h GLU 26 Cb 0.58 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2o6k h GLU 26 CO 0.04 1.09 0.59 0.82 -1.00 0.00 0.00 179.01 180.55 2o6k h ILE 27 N 0.75 1.22 -0.67 3.13 2.04 -0.59 -0.54 117.51 122.85 2o6k h ILE 27 Ca 0.08 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2o6k h ILE 27 Cb 0.90 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2o6k h ILE 27 CO 0.08 0.22 0.43 0.15 0.00 0.00 0.00 178.15 179.03 2o6k h PHE 28 N 1.20 0.81 0.00 1.37 3.57 -0.80 -2.61 116.94 120.49 2o6k h PHE 28 Ca 0.33 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2o6k h PHE 28 Cb -0.13 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.34 2o6k h PHE 28 CO -0.01 0.49 0.00 -0.44 -2.23 0.00 0.00 178.31 176.12 2o6k h ASP 29 N 0.86 0.00 -1.99 0.41 3.32 -0.28 -3.41 116.42 115.33 2o6k h ASP 29 Ca 0.26 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.76 2o6k h ASP 29 Cb -0.04 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.43 2o6k h ASP 29 CO -0.08 0.00 1.18 -0.62 -1.72 0.00 0.00 179.24 178.00 2o6k s ASP 30 N -4.82 6.18 0.05 6.45 2.15 -0.28 -4.85 116.67 121.55 2o6k s ASP 30 Ca 0.05 -0.67 0.07 0.00 0.43 0.00 0.00 52.55 52.43 2o6k s ASP 30 Cb 0.09 -2.56 0.31 0.00 -0.30 0.00 0.00 42.92 40.47 2o6k s ASP 30 CO 0.50 -1.80 1.20 0.18 -0.17 0.00 0.00 175.17 175.08 2o6k n LEU 31 N 9.51 0.10 -0.20 -1.34 4.77 -1.26 -2.06 117.00 126.51 2o6k n LEU 31 Ca 0.12 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.73 2o6k n LEU 31 Cb 0.50 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 2o6k n LEU 31 CO 0.70 -0.52 0.12 0.00 -1.33 0.00 0.00 177.39 176.36 2o6k n ALA 32 N -1.55 3.72 -1.78 -1.18 0.00 -1.26 -5.01 120.51 113.45 2o6k n ALA 32 Ca 0.01 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 2o6k n ALA 32 Cb 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 2o6k n ALA 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2o6k s PHE 33 N -2.31 2.62 -0.35 0.00 5.36 -0.88 -4.89 117.98 117.54 2o6k s PHE 33 Ca 0.11 1.17 -0.29 0.00 -0.96 0.00 0.00 56.93 56.96 2o6k s PHE 33 Cb 0.13 -4.00 -0.00 0.00 -0.34 0.00 0.00 43.02 38.81 2o6k s PHE 33 CO 0.56 -2.94 1.47 -1.25 -1.46 0.00 0.00 175.22 171.60 2o6k s PRO 34 N -2.02 3.64 0.06 10.12 0.04 -1.26 -4.88 135.00 140.71 2o6k s PRO 34 Ca 0.53 1.16 0.24 0.00 0.04 0.00 0.00 61.00 62.97 2o6k s PRO 34 Cb -0.46 -4.02 0.38 0.00 0.04 0.00 0.00 34.50 30.44 2o6k s PRO 34 CO 0.62 -1.48 1.32 1.63 0.04 0.00 0.00 177.00 179.14 2o6k n LYS 35 N 7.91 0.17 0.00 4.56 5.02 -1.26 -3.97 118.16 130.59 2o6k n LYS 35 Ca 0.17 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2o6k n LYS 35 Cb 0.47 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2o6k n LYS 35 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2o6k n HIS 36 N -1.84 0.00 -3.38 2.13 8.25 -1.26 -4.53 115.22 114.58 2o6k n HIS 36 Ca 0.04 -0.19 -0.33 0.00 -0.26 0.00 0.00 57.72 56.97 2o6k n HIS 36 Cb 0.40 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 2o6k n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2o6k s ASP 37 N -0.39 6.70 0.00 0.41 1.01 -1.25 -4.85 116.67 118.29 2o6k s ASP 37 Ca 0.00 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.25 2o6k s ASP 37 Cb 0.00 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.68 2o6k s ASP 37 CO 0.00 -0.02 0.00 -0.90 0.21 0.00 0.00 175.17 174.46 2o6k n ASP 38 N 0.16 0.21 -4.73 0.27 5.68 -1.26 -2.53 116.55 114.36 2o6k n ASP 38 Ca -0.01 -0.21 -0.41 0.00 -0.50 0.00 0.00 54.79 53.65 2o6k n ASP 38 Cb 0.52 0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 40.93 2o6k n ASP 38 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2o6k s ASP 39 N -0.51 7.41 0.08 -1.12 2.15 -1.26 -4.86 116.67 118.55 2o6k s ASP 39 Ca 0.00 1.69 -0.24 0.00 0.43 0.00 0.00 52.55 54.43 2o6k s ASP 39 Cb 0.00 -2.56 -0.16 0.00 -0.30 0.00 0.00 42.92 39.90 2o6k s ASP 39 CO 0.00 -0.11 1.68 0.15 -0.17 0.00 0.00 175.17 176.72 2o6k h PHE 40 N 5.94 -0.03 -0.46 -5.34 3.57 -1.99 -2.17 116.94 116.46 2o6k h PHE 40 Ca -0.42 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.11 2o6k h PHE 40 Cb 1.21 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 2o6k h PHE 40 CO 0.66 0.04 0.23 -0.91 -2.23 0.00 0.00 178.31 176.09 2o6k h ASN 41 N -0.09 0.32 -0.06 0.41 2.35 -1.98 0.19 115.58 116.72 2o6k h ASN 41 Ca -0.00 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2o6k h ASN 41 Cb 0.09 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 2o6k h ASN 41 CO 0.01 0.23 -0.18 0.40 -1.65 0.00 0.00 177.43 176.24 2o6k h ILE 42 N 0.45 0.56 -0.29 2.81 1.08 -1.93 0.16 117.51 120.35 2o6k h ILE 42 Ca 0.20 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.67 2o6k h ILE 42 Cb 0.11 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 2o6k h ILE 42 CO -0.15 0.00 0.17 -0.07 -0.69 0.00 0.00 178.15 177.41 2o6k h LEU 43 N -0.26 0.36 -0.73 1.44 3.38 -0.99 -1.92 115.31 116.59 2o6k h LEU 43 Ca 0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2o6k h LEU 43 Cb 0.36 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2o6k h LEU 43 CO -0.21 0.32 0.24 0.77 0.09 0.00 0.00 178.44 179.65 2o6k h SER 44 N 0.36 1.05 -0.51 -0.43 4.64 -0.42 -1.11 113.55 117.13 2o6k h SER 44 Ca 0.10 -0.20 0.10 0.00 -0.47 0.00 0.00 61.79 61.32 2o6k h SER 44 Cb 0.04 -0.28 -0.10 0.00 -0.31 0.00 0.00 62.40 61.75 2o6k h SER 44 CO -0.02 0.98 -0.13 -0.78 -0.87 0.00 0.00 176.83 176.01 2o6k h ASP 45 N 1.07 -0.47 -0.06 4.97 1.82 -0.53 -0.71 116.42 122.51 2o6k h ASP 45 Ca 0.24 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 2o6k h ASP 45 Cb 0.29 0.32 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 2o6k h ASP 45 CO -0.01 -0.17 0.04 0.22 -1.61 0.00 0.00 179.24 177.72 2o6k h TYR 46 N 0.00 0.08 -0.71 0.28 3.20 -0.57 -2.34 116.97 116.90 2o6k h TYR 46 Ca 0.25 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 2o6k h TYR 46 Cb 0.37 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 2o6k h TYR 46 CO -0.43 0.05 0.29 0.82 -1.64 0.00 0.00 178.16 177.25 2o6k h ILE 47 N 0.09 1.24 -0.32 1.81 2.04 -0.94 0.37 117.51 121.80 2o6k h ILE 47 Ca 0.02 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2o6k h ILE 47 Cb -0.01 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2o6k h ILE 47 CO -0.01 0.31 0.11 -0.33 0.00 0.00 0.00 178.15 178.23 2o6k h GLU 48 N 1.03 0.48 0.08 2.37 4.39 -0.99 0.92 114.58 122.86 2o6k h GLU 48 Ca 0.24 -0.10 -0.33 0.00 0.34 0.00 0.00 59.36 59.51 2o6k h GLU 48 Cb 0.19 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2o6k h GLU 48 CO -0.02 0.51 -1.81 1.79 -1.16 0.00 0.00 179.01 178.31 2o6k h THR 49 N 0.36 0.79 0.00 1.13 1.35 -1.23 -3.39 112.91 111.92 2o6k h THR 49 Ca 0.10 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2o6k h THR 49 Cb 0.22 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2o6k h THR 49 CO -0.01 0.74 -1.13 1.41 -0.25 0.00 0.00 175.52 176.28 2o6k n HIS 50 N -3.32 0.00 -1.88 4.73 8.25 0.13 -5.03 115.22 118.09 2o6k n HIS 50 Ca -0.24 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.80 2o6k n HIS 50 Cb 1.05 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.98 2o6k n HIS 50 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2o6k s GLY 51 N -2.74 1.66 -0.43 -1.41 0.00 0.32 -4.94 107.32 99.78 2o6k s GLY 51 Ca -0.01 1.43 0.10 0.00 0.00 0.00 0.00 44.72 46.24 2o6k s GLY 51 CO 0.41 2.62 0.84 1.34 0.00 0.00 0.00 173.10 178.31 2o6k n ASP 52 N 3.53 2.17 -4.67 1.64 2.03 -1.26 -4.91 116.55 115.09 2o6k n ASP 52 Ca 0.13 -3.22 -0.27 0.00 0.52 0.00 0.00 54.79 51.95 2o6k n ASP 52 Cb 0.38 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 40.12 2o6k n ASP 52 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2o6k s PHE 53 N -2.87 2.89 -0.61 -0.67 0.08 -1.26 -5.02 117.98 110.52 2o6k s PHE 53 Ca 0.42 -0.11 0.24 0.00 0.12 0.00 0.00 56.93 57.60 2o6k s PHE 53 Cb 0.34 -1.42 0.36 0.00 -0.57 0.00 0.00 43.02 41.73 2o6k s PHE 53 CO -0.09 0.50 1.35 1.79 -0.10 0.00 0.00 175.22 178.68 2o6k h THR 54 N 2.57 0.00 -3.11 0.64 1.35 -1.99 -3.46 112.91 108.92 2o6k h THR 54 Ca -0.47 -0.55 -0.53 0.00 -0.55 0.00 0.00 66.41 64.31 2o6k h THR 54 Cb 1.19 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 2o6k h THR 54 CO 0.58 0.00 -0.20 -0.76 -0.25 0.00 0.00 175.52 174.89 2o6k s LEU 55 N -4.43 4.12 0.00 3.87 1.43 -1.26 -5.19 118.68 117.22 2o6k s LEU 55 Ca 0.06 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2o6k s LEU 55 Cb 0.13 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.92 2o6k s LEU 55 CO 0.71 -0.13 0.00 -2.65 0.23 0.00 0.00 176.35 174.51 2o6k n PRO 56 N -0.75 0.74 0.00 1.29 -0.02 -1.26 -4.91 135.00 130.09 2o6k n PRO 56 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2o6k n PRO 56 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2o6k n PRO 56 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2o6k n SER 58 N 0.00 0.00 -0.15 2.55 3.41 -1.26 -3.83 113.62 114.35 2o6k n SER 58 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2o6k n SER 58 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2o6k n SER 58 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2o6k h VAL 59 N 0.00 1.19 -0.20 -3.33 2.07 -1.99 0.55 116.25 114.55 2o6k h VAL 59 Ca 0.00 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.00 2o6k h VAL 59 Cb 0.00 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2o6k h VAL 59 CO 0.00 0.21 -0.03 0.15 0.02 0.00 0.00 177.57 177.92 2o6k h PHE 60 N 0.55 -0.06 -0.40 1.57 3.57 -1.94 0.12 116.94 120.35 2o6k h PHE 60 Ca 0.15 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2o6k h PHE 60 Cb 0.15 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 2o6k h PHE 60 CO -0.01 -0.06 0.00 -0.44 -2.23 0.00 0.00 178.31 175.58 2o6k h ASP 61 N 0.03 -0.16 -0.70 0.41 3.32 -1.83 0.17 116.42 117.65 2o6k h ASP 61 Ca 0.09 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2o6k h ASP 61 Cb 0.13 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2o6k h ASP 61 CO -0.18 -0.05 0.41 0.44 -1.72 0.00 0.00 179.24 178.14 2o6k h ASP 62 N 0.11 0.86 -0.47 6.45 3.32 -0.60 -0.03 116.42 126.06 2o6k h ASP 62 Ca 0.20 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2o6k h ASP 62 Cb 0.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2o6k h ASP 62 CO -0.33 0.69 0.26 0.25 -1.72 0.00 0.00 179.24 178.39 2o6k h LEU 63 N 0.96 0.58 -0.71 1.55 5.85 0.13 -0.90 115.31 122.76 2o6k h LEU 63 Ca 0.25 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2o6k h LEU 63 Cb 0.00 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2o6k h LEU 63 CO -0.04 0.49 0.21 0.22 -0.34 0.00 0.00 178.44 178.98 2o6k h TYR 64 N 0.62 1.16 -0.48 1.25 5.03 -0.41 -0.90 116.97 123.24 2o6k h TYR 64 Ca 0.16 -0.12 0.06 0.00 2.58 0.00 0.00 58.73 61.41 2o6k h TYR 64 Cb 0.03 -0.33 -0.05 0.00 1.55 0.00 0.00 36.73 37.93 2o6k h TYR 64 CO -0.02 0.93 0.19 1.49 -1.32 0.00 0.00 178.16 179.42 2o6k h GLU 65 N 1.06 0.36 -0.59 1.82 4.81 -0.68 -1.87 114.58 119.49 2o6k h GLU 65 Ca 0.23 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2o6k h GLU 65 Cb 0.32 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2o6k h GLU 65 CO -0.00 0.24 0.31 1.49 -0.73 0.00 0.00 179.01 180.31 2o6k h GLU 66 N 0.37 0.83 -0.62 1.92 4.81 -0.89 -2.56 114.58 118.45 2o6k h GLU 66 Ca 0.23 -0.11 0.12 0.00 -0.13 0.00 0.00 59.36 59.47 2o6k h GLU 66 Cb 0.22 -0.16 -0.12 0.00 0.63 0.00 0.00 28.75 29.33 2o6k h GLU 66 CO -0.22 0.65 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.60 2o6k h TYR 67 N 0.80 -0.46 -0.37 0.92 3.20 -0.62 0.14 116.97 120.59 2o6k h TYR 67 Ca 0.21 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2o6k h TYR 67 Cb 0.08 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2o6k h TYR 67 CO -0.01 -0.30 0.02 1.79 -1.64 0.00 0.00 178.16 178.03 2o6k h THR 68 N -0.04 1.25 -0.68 1.81 1.35 -1.06 -0.62 112.91 114.91 2o6k h THR 68 Ca 0.29 -0.93 0.08 0.00 -0.55 0.00 0.00 66.41 65.30 2o6k h THR 68 Cb 0.49 1.14 -0.07 0.00 -1.73 0.00 0.00 68.15 67.98 2o6k h THR 68 CO -0.65 0.31 0.35 -0.33 -0.25 0.00 0.00 175.52 174.94 2o6k h GLU 69 N 0.46 0.59 -0.66 4.72 5.08 -1.15 -1.85 114.58 121.77 2o6k h GLU 69 Ca 0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2o6k h GLU 69 Cb 0.42 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2o6k h GLU 69 CO 0.01 0.39 0.40 2.35 -1.00 0.00 0.00 179.01 181.17 2o6k h TRP 70 N 0.61 0.85 -0.11 4.33 7.01 -0.24 -1.36 115.95 127.04 2o6k h TRP 70 Ca 0.33 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 2o6k h TRP 70 Cb 0.31 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 2o6k h TRP 70 CO -0.10 0.57 0.04 -0.07 -2.79 0.00 0.00 178.44 176.09 2o6k h LEU 71 N 0.89 0.15 -2.34 0.65 3.38 -0.81 -1.96 115.31 115.27 2o6k h LEU 71 Ca 0.24 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2o6k h LEU 71 Cb -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2o6k h LEU 71 CO -0.05 0.28 0.12 0.11 0.09 0.00 0.00 178.44 179.00 2o6k h LYS 72 N 0.01 0.00 0.19 1.13 1.57 -0.93 -2.71 116.57 115.83 2o6k h LYS 72 Ca 0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.56 2o6k h LYS 72 Cb 0.18 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.52 2o6k h LYS 72 CO -0.00 0.00 -1.17 0.35 -0.57 0.00 0.00 179.45 178.06 2o6k h PHE 73 N 0.00 0.72 -2.76 -1.35 3.57 -0.54 -3.40 116.94 113.17 2o6k h PHE 73 Ca 0.05 -0.53 -0.41 0.00 3.53 0.00 0.00 57.97 60.61 2o6k h PHE 73 Cb 0.29 -0.03 0.22 0.00 2.79 0.00 0.00 35.95 39.21 2o6k h PHE 73 CO 0.00 1.45 -0.36 1.28 -2.23 0.00 0.00 178.31 178.45 2o6k n LEU 74 N -3.93 -1.68 0.00 0.59 4.77 -0.84 -5.11 117.00 110.81 2o6k n LEU 74 Ca -0.16 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2o6k n LEU 74 Cb 0.95 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2o6k n LEU 74 CO 0.53 -3.55 0.00 -1.84 -1.33 0.00 0.00 177.39 171.20