#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dyg h PRO 2 N 0.00 0.02 -0.41 2.12 0.11 -2.01 -2.25 132.00 129.59 3dyg h PRO 2 Ca 0.00 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3dyg h PRO 2 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3dyg h PRO 2 CO 0.00 0.02 -0.11 1.98 -0.21 0.00 0.00 178.00 179.67 3dyg h MET 3 N 0.02 0.72 0.05 1.05 4.05 -1.99 -2.12 114.93 116.72 3dyg h MET 3 Ca 0.14 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3dyg h MET 3 Cb 0.21 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3dyg h MET 3 CO -0.28 0.81 -0.02 0.37 0.23 0.00 0.00 176.91 178.02 3dyg h GLN 4 N 0.66 -0.07 -0.71 0.39 5.75 -1.91 -1.63 115.11 117.60 3dyg h GLN 4 Ca 0.11 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3dyg h GLN 4 Cb 0.57 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 3dyg h GLN 4 CO 0.04 0.07 0.36 1.98 -2.65 0.00 0.00 178.83 178.62 3dyg h MET 5 N -0.19 1.01 -0.88 1.69 4.05 -1.40 -2.17 114.93 117.04 3dyg h MET 5 Ca -0.01 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.31 3dyg h MET 5 Cb 0.17 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 3dyg h MET 5 CO 0.01 0.79 0.58 0.35 0.23 0.00 0.00 176.91 178.87 3dyg h PHE 6 N 0.99 1.06 0.00 1.39 3.57 -1.22 -1.89 116.94 120.84 3dyg h PHE 6 Ca 0.25 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 3dyg h PHE 6 Cb 0.09 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3dyg h PHE 6 CO 0.00 0.61 -0.78 0.52 -2.23 0.00 0.00 178.31 176.44 3dyg h MET 7 N 1.10 0.00 -0.56 1.11 2.86 -1.00 -2.49 114.93 115.95 3dyg h MET 7 Ca 0.35 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.89 3dyg h MET 7 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3dyg h MET 7 CO -0.11 0.78 -0.04 1.96 1.06 0.00 0.00 176.91 180.56 3dyg h GLN 8 N 0.00 1.02 -0.02 1.72 4.20 -0.74 -2.53 115.11 118.76 3dyg h GLN 8 Ca -0.01 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.27 3dyg h GLN 8 Cb 1.42 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 3dyg h GLN 8 CO 0.10 1.03 -0.41 0.28 -0.67 0.00 0.00 178.83 179.16 3dyg h VAL 9 N 0.90 1.30 -0.50 -0.54 2.07 -1.31 -2.70 116.25 115.47 3dyg h VAL 9 Ca 0.15 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3dyg h VAL 9 Cb 0.60 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3dyg h VAL 9 CO 0.04 0.41 0.33 0.22 0.02 0.00 0.00 177.57 178.60 3dyg h TYR 10 N 0.03 0.63 -0.43 1.57 3.20 -1.02 -0.27 116.97 120.69 3dyg h TYR 10 Ca -0.00 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3dyg h TYR 10 Cb 0.75 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3dyg h TYR 10 CO 0.00 0.40 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.41 3dyg h ASP 11 N 0.68 0.72 -0.72 -2.11 3.32 -1.31 0.99 116.42 117.99 3dyg h ASP 11 Ca 0.18 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3dyg h ASP 11 Cb -0.08 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3dyg h ASP 11 CO -0.04 0.83 0.27 -0.08 -1.72 0.00 0.00 179.24 178.50 3dyg h GLU 12 N 0.68 1.10 -0.20 3.56 4.81 -1.13 0.88 114.58 124.28 3dyg h GLU 12 Ca 0.12 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3dyg h GLU 12 Cb 0.53 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3dyg h GLU 12 CO 0.03 0.92 -0.15 0.82 -0.73 0.00 0.00 179.01 179.90 3dyg h ILE 13 N 1.05 1.32 -0.20 2.32 2.04 -0.65 -2.32 117.51 121.07 3dyg h ILE 13 Ca 0.24 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3dyg h ILE 13 Cb 0.25 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3dyg h ILE 13 CO -0.02 0.38 0.13 -0.61 0.00 0.00 0.00 178.15 178.03 3dyg h GLN 14 N 0.13 0.26 -0.56 2.37 4.15 -0.56 -1.99 115.11 118.92 3dyg h GLN 14 Ca 0.04 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.46 3dyg h GLN 14 Cb 0.67 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 3dyg h GLN 14 CO 0.04 0.19 0.34 1.98 -1.93 0.00 0.00 178.83 179.45 3dyg h MET 15 N 0.25 0.66 0.19 1.69 4.05 -0.82 0.20 114.93 121.16 3dyg h MET 15 Ca 0.07 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3dyg h MET 15 Cb -0.01 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 3dyg h MET 15 CO -0.01 0.44 -0.19 0.35 0.23 0.00 0.00 176.91 177.72 3dyg h PHE 16 N 0.68 -0.51 0.10 1.39 3.57 -1.19 -0.92 116.94 120.06 3dyg h PHE 16 Ca 0.22 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3dyg h PHE 16 Cb 0.01 0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3dyg h PHE 16 CO -0.06 -0.29 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.62 3dyg h LEU 17 N -0.42 -0.11 -0.44 0.59 3.38 -1.08 -1.15 115.31 116.09 3dyg h LEU 17 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dyg h LEU 17 Cb 0.40 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3dyg h LEU 17 CO -0.05 -0.03 0.22 -0.07 0.09 0.00 0.00 178.44 178.60 3dyg h LEU 18 N -0.18 0.56 -0.75 1.67 3.38 -0.94 -2.08 115.31 116.98 3dyg h LEU 18 Ca -0.01 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3dyg h LEU 18 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3dyg h LEU 18 CO 0.02 0.52 -0.19 -0.33 0.09 0.00 0.00 178.44 178.55 3dyg h GLU 19 N 0.56 0.76 -0.64 1.13 5.08 -1.14 -2.34 114.58 117.98 3dyg h GLU 19 Ca 0.15 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3dyg h GLU 19 Cb 0.10 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3dyg h GLU 19 CO -0.02 0.89 0.30 1.49 -1.00 0.00 0.00 179.01 180.67 3dyg h GLU 20 N 0.67 0.91 -0.71 2.33 4.81 -1.00 0.76 114.58 122.34 3dyg h GLU 20 Ca 0.10 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 3dyg h GLU 20 Cb 0.68 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3dyg h GLU 20 CO 0.05 0.71 0.18 -0.07 -0.73 0.00 0.00 179.01 179.15 3dyg h LEU 21 N 0.91 1.08 -0.16 1.64 3.38 -1.04 0.94 115.31 122.06 3dyg h LEU 21 Ca 0.22 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dyg h LEU 21 Cb 0.10 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3dyg h LEU 21 CO -0.03 1.03 -0.04 -0.08 0.09 0.00 0.00 178.44 179.41 3dyg h GLU 22 N 1.08 0.30 -0.09 1.13 4.81 -0.83 -1.80 114.58 119.19 3dyg h GLU 22 Ca 0.22 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 3dyg h GLU 22 Cb 0.37 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.74 3dyg h GLU 22 CO 0.00 0.59 -0.55 -0.07 -0.73 0.00 0.00 179.01 178.25 3dyg h LEU 23 N 0.00 0.63 0.00 1.64 -0.00 -0.76 -3.32 115.31 113.50 3dyg h LEU 23 Ca 0.04 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 3dyg h LEU 23 Cb 0.48 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 3dyg h LEU 23 CO 0.02 1.19 -0.49 0.29 -0.00 0.00 0.00 178.44 179.45 3dyg n LYS 24 N -4.20 3.70 -0.10 1.13 5.02 0.31 -4.58 118.16 119.44 3dyg n LYS 24 Ca -0.08 -0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.24 3dyg n LYS 24 Cb 0.63 -0.96 0.09 0.00 -0.02 0.00 0.00 35.03 34.76 3dyg n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3dyg n PHE 25 N -1.25 0.26 -3.45 2.13 3.72 -0.72 -4.99 117.46 113.16 3dyg n PHE 25 Ca 0.02 -0.43 -0.25 0.00 -0.05 0.00 0.00 57.45 56.73 3dyg n PHE 25 Cb 0.15 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3dyg n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3dyg n ASP 26 N 0.18 -5.15 -4.78 4.37 2.03 -1.09 -4.93 116.55 107.18 3dyg n ASP 26 Ca 0.07 -0.49 -0.39 0.00 0.52 0.00 0.00 54.79 54.49 3dyg n ASP 26 Cb 0.34 -4.15 -0.06 0.00 -0.72 0.00 0.00 41.12 36.53 3dyg n ASP 26 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 3dyg s MET 27 N -6.14 4.59 0.71 -0.67 1.75 -0.94 -5.02 119.30 113.57 3dyg s MET 27 Ca 0.48 1.18 -0.11 0.00 -1.25 0.00 0.00 55.69 55.98 3dyg s MET 27 Cb -0.23 -3.25 0.02 0.00 2.84 0.00 0.00 34.83 34.20 3dyg s MET 27 CO 0.59 0.56 1.09 0.16 -0.65 0.00 0.00 175.02 176.78 3dyg s ASP 28 N -1.16 5.39 0.28 1.11 -4.77 -1.26 -4.58 116.67 111.68 3dyg s ASP 28 Ca 0.36 1.09 -0.03 0.00 -3.30 0.00 0.00 52.55 50.67 3dyg s ASP 28 Cb -0.23 -1.87 0.38 0.00 -1.09 0.00 0.00 42.92 40.11 3dyg s ASP 28 CO 0.27 -1.37 1.93 -0.65 0.70 0.00 0.00 175.17 176.05 3dyg h PRO 29 N -0.66 1.12 -0.01 2.11 0.11 -1.99 -2.06 132.00 130.62 3dyg h PRO 29 Ca -0.45 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 65.57 3dyg h PRO 29 Cb 1.26 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3dyg h PRO 29 CO 0.64 0.77 -0.02 -0.91 -0.21 0.00 0.00 178.00 178.27 3dyg h ASN 30 N 1.14 -0.06 0.57 -2.05 -0.26 -1.99 -0.81 115.58 112.11 3dyg h ASN 30 Ca 0.30 0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.92 3dyg h ASN 30 Cb -0.07 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 3dyg h ASN 30 CO -0.06 -0.03 -0.62 0.03 -1.06 0.00 0.00 177.43 175.69 3dyg h ARG 31 N -0.04 0.05 -0.45 0.81 3.08 -1.93 -1.43 114.38 114.48 3dyg h ARG 31 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3dyg h ARG 31 Cb 0.05 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3dyg h ARG 31 CO -0.03 0.65 0.20 0.28 -1.07 0.00 0.00 179.97 180.00 3dyg h VAL 32 N 0.04 1.19 -0.67 2.04 2.07 -1.18 -0.07 116.25 119.67 3dyg h VAL 32 Ca -0.01 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3dyg h VAL 32 Cb 1.10 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3dyg h VAL 32 CO 0.08 0.21 0.44 -0.09 0.02 0.00 0.00 177.57 178.23 3dyg h ARG 33 N 0.58 0.88 -0.32 1.57 2.43 -0.90 -0.33 114.38 118.29 3dyg h ARG 33 Ca 0.15 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3dyg h ARG 33 Cb 0.15 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3dyg h ARG 33 CO -0.02 0.59 0.20 -0.92 -1.51 0.00 0.00 179.97 178.32 3dyg h TYR 34 N 0.91 0.41 0.00 2.20 5.03 -0.77 -1.89 116.97 122.86 3dyg h TYR 34 Ca 0.24 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.49 3dyg h TYR 34 Cb -0.09 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 3dyg h TYR 34 CO -0.02 0.27 -0.33 -0.07 -1.32 0.00 0.00 178.16 176.69 3dyg h LEU 35 N 0.42 0.00 -0.38 2.82 4.07 -0.62 0.95 115.31 122.57 3dyg h LEU 35 Ca 0.12 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.91 3dyg h LEU 35 Cb -0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 3dyg h LEU 35 CO -0.02 0.33 -0.42 -0.09 -1.08 0.00 0.00 178.44 177.16 3dyg h ARG 36 N 0.00 0.92 -0.23 1.13 2.43 -0.76 0.20 114.38 118.07 3dyg h ARG 36 Ca -0.00 -0.50 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 3dyg h ARG 36 Cb 0.60 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3dyg h ARG 36 CO 0.04 1.16 -0.10 -0.22 -1.51 0.00 0.00 179.97 179.34 3dyg h LYS 37 N 0.74 0.47 -0.70 0.20 3.11 -0.90 -1.85 116.57 117.64 3dyg h LYS 37 Ca 0.05 -0.20 0.01 0.00 -2.81 0.00 0.00 60.65 57.70 3dyg h LYS 37 Cb 1.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 3dyg h LYS 37 CO 0.10 0.74 0.47 1.98 -2.81 0.00 0.00 179.45 179.92 3dyg h MET 38 N 0.19 0.92 -0.06 1.90 4.05 -0.75 -0.70 114.93 120.48 3dyg h MET 38 Ca 0.05 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3dyg h MET 38 Cb 0.59 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.18 3dyg h MET 38 CO 0.03 0.61 0.02 1.98 0.23 0.00 0.00 176.91 179.78 3dyg h MET 39 N 0.95 0.09 -0.75 0.39 1.85 -0.86 -1.34 114.93 115.26 3dyg h MET 39 Ca 0.26 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.30 3dyg h MET 39 Cb -0.10 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 31.88 3dyg h MET 39 CO -0.06 0.24 0.34 -0.44 -0.40 0.00 0.00 176.91 176.59 3dyg h ASP 40 N -0.07 1.00 -0.37 1.39 3.32 -1.16 0.07 116.42 120.60 3dyg h ASP 40 Ca 0.02 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 3dyg h ASP 40 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3dyg h ASP 40 CO -0.00 0.88 -0.37 0.74 -1.72 0.00 0.00 179.24 178.76 3dyg h THR 41 N 1.06 1.28 0.00 0.35 2.02 -1.05 -1.19 112.91 115.38 3dyg h THR 41 Ca 0.25 -1.55 -0.21 0.00 0.77 0.00 0.00 66.41 65.68 3dyg h THR 41 Cb 0.16 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3dyg h THR 41 CO -0.03 0.51 -1.20 0.71 0.37 0.00 0.00 175.52 175.88 3dyg h THR 42 N 0.72 1.05 0.00 3.16 1.35 -1.20 -3.39 112.91 114.60 3dyg h THR 42 Ca 0.06 -2.70 -0.14 0.00 -0.55 0.00 0.00 66.41 63.08 3dyg h THR 42 Cb 0.97 2.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.83 3dyg h THR 42 CO 0.09 0.60 -2.08 0.00 -0.25 0.00 0.00 175.52 173.88 3dyg s LEU 44 N -4.97 3.51 0.00 0.00 1.43 -0.45 -4.70 118.68 113.50 3dyg s LEU 44 Ca -0.08 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3dyg s LEU 44 Cb 0.11 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3dyg s LEU 44 CO 0.87 0.13 0.00 0.61 0.23 0.00 0.00 176.35 178.19 3dyg n GLY 45 N 0.18 0.85 0.00 -3.19 0.00 -1.26 -4.70 105.19 97.06 3dyg n GLY 45 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3dyg n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyg n GLY 46 N 0.00 -1.24 0.45 -0.02 0.00 -1.26 -4.98 105.19 98.14 3dyg n GLY 46 Ca 0.00 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.55 3dyg n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dyg n LYS 47 N -0.43 1.18 -2.82 1.61 4.01 -1.26 -4.98 118.16 115.47 3dyg n LYS 47 Ca 0.00 -0.90 -0.19 0.00 -0.51 0.00 0.00 58.31 56.71 3dyg n LYS 47 Cb 0.00 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 3dyg n LYS 47 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3dyg n TYR 48 N -0.13 -1.59 0.22 2.13 4.01 -1.26 -4.88 117.16 115.66 3dyg n TYR 48 Ca 0.11 0.26 0.07 0.00 -0.16 0.00 0.00 57.90 58.17 3dyg n TYR 48 Cb 0.44 -3.45 0.49 0.00 -0.31 0.00 0.00 39.34 36.51 3dyg n TYR 48 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3dyg h ASN 49 N -0.61 0.00 -0.05 7.72 -0.26 -1.98 0.33 115.58 120.73 3dyg h ASN 49 Ca -0.42 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.22 3dyg h ASN 49 Cb 1.30 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.56 3dyg h ASN 49 CO 0.49 0.27 -0.35 0.03 -1.06 0.00 0.00 177.43 176.81 3dyg h ARG 50 N 0.00 0.32 -0.19 0.81 3.08 -1.89 -2.79 114.38 113.72 3dyg h ARG 50 Ca -0.00 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.69 3dyg h ARG 50 Cb 0.55 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3dyg h ARG 50 CO 0.03 0.94 -0.16 0.78 -1.07 0.00 0.00 179.97 180.49 3dyg h GLY 51 N -0.20 0.48 1.86 0.04 0.00 -1.69 -3.16 103.07 100.39 3dyg h GLY 51 Ca -0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3dyg h GLY 51 CO 0.07 0.43 -0.08 1.41 0.00 0.00 0.00 176.54 178.38 3dyg h LEU 52 N 0.11 0.17 -0.89 3.11 3.38 -1.05 -2.54 115.31 117.59 3dyg h LEU 52 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dyg h LEU 52 Cb 0.69 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3dyg h LEU 52 CO 0.04 0.27 0.54 0.74 0.09 0.00 0.00 178.44 180.13 3dyg h THR 53 N 0.18 1.24 -0.29 0.22 2.02 -1.45 -1.14 112.91 113.69 3dyg h THR 53 Ca 0.04 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.74 3dyg h THR 53 Cb 0.26 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 3dyg h THR 53 CO 0.01 0.25 0.05 0.58 0.37 0.00 0.00 175.52 176.79 3dyg h VAL 54 N 1.22 0.86 -0.67 3.16 2.07 -1.47 0.26 116.25 121.68 3dyg h VAL 54 Ca 0.32 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.79 3dyg h VAL 54 Cb -0.06 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3dyg h VAL 54 CO -0.06 0.03 0.43 0.40 0.02 0.00 0.00 177.57 178.39 3dyg h ILE 55 N 0.15 1.18 -0.21 4.57 2.04 -1.46 0.27 117.51 124.05 3dyg h ILE 55 Ca 0.13 -0.35 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 3dyg h ILE 55 Cb 0.14 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3dyg h ILE 55 CO -0.18 0.18 -0.43 -0.78 0.00 0.00 0.00 178.15 176.93 3dyg h ASP 56 N 0.91 0.55 0.10 1.72 3.58 -0.61 0.16 116.42 122.84 3dyg h ASP 56 Ca 0.24 -0.25 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 3dyg h ASP 56 Cb -0.08 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 3dyg h ASP 56 CO -0.05 0.92 -0.66 0.58 -2.88 0.00 0.00 179.24 177.15 3dyg h VAL 57 N 0.42 1.34 0.18 2.25 2.07 -0.22 -2.44 116.25 119.84 3dyg h VAL 57 Ca 0.03 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 3dyg h VAL 57 Cb 0.93 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3dyg h VAL 57 CO 0.08 0.60 -0.08 0.00 0.02 0.00 0.00 177.57 178.19 3dyg h ALA 58 N 0.90 -0.24 -0.78 1.67 0.00 -0.76 -2.90 119.26 117.15 3dyg h ALA 58 Ca -0.02 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.78 3dyg h ALA 58 Cb 1.23 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3dyg h ALA 58 CO 0.12 -0.43 0.45 1.49 0.00 0.00 0.00 179.25 180.88 3dyg h GLU 59 N -0.63 0.77 0.00 0.00 4.81 -1.02 -1.94 114.58 116.56 3dyg h GLU 59 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3dyg h GLU 59 Cb 0.47 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3dyg h GLU 59 CO 0.04 0.51 0.00 -1.13 -0.73 0.00 0.00 179.01 177.70 3dyg n SER 60 N -4.74 0.61 -1.06 1.04 3.41 -0.92 -1.69 113.62 110.28 3dyg n SER 60 Ca 0.12 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 3dyg n SER 60 Cb 0.23 -0.79 0.20 0.00 -0.26 0.00 0.00 64.21 63.59 3dyg n SER 60 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dyg n LEU 61 N -2.19 3.33 -4.57 1.04 7.99 -0.74 -4.61 117.00 117.24 3dyg n LEU 61 Ca 0.02 -1.57 -0.37 0.00 -0.01 0.00 0.00 56.01 54.07 3dyg n LEU 61 Cb 0.20 -0.25 -0.03 0.00 -0.11 0.00 0.00 43.42 43.23 3dyg n LEU 61 CO 0.18 0.74 1.70 -0.22 -1.51 0.00 0.00 177.39 178.28 3dyg s LEU 62 N -1.33 3.51 0.00 2.23 2.96 -0.68 -2.68 118.68 122.69 3dyg s LEU 62 Ca 0.36 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.37 3dyg s LEU 62 Cb 0.21 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.32 3dyg s LEU 62 CO 0.28 -1.87 0.00 -1.20 -1.32 0.00 0.00 176.35 172.24 3dyg n SER 63 N 10.56 0.00 -1.16 3.68 7.64 -1.26 -5.09 113.62 127.99 3dyg n SER 63 Ca 0.44 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.36 3dyg n SER 63 Cb 0.47 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.87 3dyg n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3dyg n LEU 64 N 0.00 3.27 0.00 -3.43 7.99 -1.09 -5.27 117.00 118.46 3dyg n LEU 64 Ca 0.00 -1.65 0.00 0.00 -0.01 0.00 0.00 56.01 54.35 3dyg n LEU 64 Cb 0.00 -0.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 3dyg n LEU 64 CO 0.00 0.44 0.00 -0.90 -1.51 0.00 0.00 177.39 175.42 3dyg n ASP 74 N 0.32 0.00 0.00 -1.43 3.85 -1.26 -5.07 116.55 112.96 3dyg n ASP 74 Ca 0.14 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.22 3dyg n ASP 74 Cb 0.70 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.47 3dyg n ASP 74 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dyg n GLY 75 N 0.00 2.86 0.40 6.12 0.00 -1.26 -4.99 105.19 108.31 3dyg n GLY 75 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3dyg n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dyg n ALA 76 N -1.96 -0.61 -0.00 4.61 0.00 -1.26 -1.11 120.51 120.18 3dyg n ALA 76 Ca 0.00 0.81 -0.09 0.00 0.00 0.00 0.00 53.44 54.16 3dyg n ALA 76 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 3dyg n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dyg h ARG 77 N 0.00 -0.19 -0.82 0.00 2.47 -1.99 -1.09 114.38 112.76 3dyg h ARG 77 Ca 0.15 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.96 3dyg h ARG 77 Cb 0.39 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.69 3dyg h ARG 77 CO -0.90 -0.12 0.49 -0.09 0.56 0.00 0.00 179.97 179.91 3dyg h ARG 78 N -0.19 0.84 -0.44 0.04 2.43 -1.77 0.24 114.38 115.52 3dyg h ARG 78 Ca 0.09 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3dyg h ARG 78 Cb 0.33 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3dyg h ARG 78 CO -0.25 0.56 0.11 -0.22 -1.51 0.00 0.00 179.97 178.66 3dyg h LYS 79 N 0.86 0.70 0.17 0.20 3.64 -0.68 -0.86 116.57 120.61 3dyg h LYS 79 Ca 0.38 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3dyg h LYS 79 Cb 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3dyg h LYS 79 CO -0.20 0.70 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.50 3dyg h ARG 80 N 0.57 -0.23 -0.70 1.90 2.43 -0.59 -2.30 114.38 115.47 3dyg h ARG 80 Ca 0.14 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3dyg h ARG 80 Cb 0.31 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 3dyg h ARG 80 CO 0.00 0.14 0.38 0.28 -1.51 0.00 0.00 179.97 179.26 3dyg h VAL 81 N -0.64 0.92 -0.09 0.20 2.07 -0.55 0.62 116.25 118.79 3dyg h VAL 81 Ca -0.02 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3dyg h VAL 81 Cb 0.47 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3dyg h VAL 81 CO 0.04 0.12 -0.47 -0.07 0.02 0.00 0.00 177.57 177.21 3dyg h LEU 82 N 0.67 0.23 -0.12 2.57 3.38 -1.20 -0.60 115.31 120.24 3dyg h LEU 82 Ca 0.33 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.95 3dyg h LEU 82 Cb 0.26 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3dyg h LEU 82 CO -0.22 0.67 -0.89 -0.74 0.09 0.00 0.00 178.44 177.35 3dyg h HIS 83 N 0.17 0.99 -0.73 1.13 2.76 -0.85 -2.03 115.15 116.59 3dyg h HIS 83 Ca 0.01 -0.48 -0.03 0.00 -2.20 0.00 0.00 60.37 57.67 3dyg h HIS 83 Cb 0.90 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 3dyg h HIS 83 CO 0.01 1.31 0.35 -0.44 -1.30 0.00 0.00 177.93 177.86 3dyg h ASP 84 N 0.44 0.94 -0.71 3.26 3.32 -0.75 -1.79 116.42 121.13 3dyg h ASP 84 Ca -0.08 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3dyg h ASP 84 Cb 1.52 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3dyg h ASP 84 CO 0.18 0.80 0.38 0.00 -1.72 0.00 0.00 179.24 178.88 3dyg h ALA 85 N 1.34 0.91 -0.42 3.45 0.00 -0.93 -1.35 119.26 122.27 3dyg h ALA 85 Ca 0.25 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3dyg h ALA 85 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3dyg h ALA 85 CO -0.03 0.44 -0.15 0.00 0.00 0.00 0.00 179.25 179.50 3dyg h VAL 87 N 0.70 1.12 -0.66 0.00 2.07 -0.96 -1.56 116.25 116.96 3dyg h VAL 87 Ca 0.11 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3dyg h VAL 87 Cb 0.65 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3dyg h VAL 87 CO 0.05 0.11 0.37 0.00 0.02 0.00 0.00 177.57 178.11 3dyg h GLY 89 N 0.96 0.90 1.64 0.00 0.00 -0.61 -2.14 103.07 103.81 3dyg h GLY 89 Ca 0.23 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 3dyg h GLY 89 CO -0.04 0.29 -0.51 1.49 0.00 0.00 0.00 176.54 177.77 3dyg h TRP 90 N 0.82 0.48 -0.63 5.60 4.06 -0.27 -1.24 115.95 124.76 3dyg h TRP 90 Ca 0.24 -0.16 0.06 0.00 2.06 0.00 0.00 58.89 61.09 3dyg h TRP 90 Cb -0.05 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 27.96 3dyg h TRP 90 CO -0.04 0.82 0.34 0.52 -3.56 0.00 0.00 178.44 176.52 3dyg h MET 91 N 0.30 0.61 -0.36 0.49 2.86 -0.54 0.54 114.93 118.83 3dyg h MET 91 Ca 0.01 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 3dyg h MET 91 Cb 1.01 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3dyg h MET 91 CO 0.09 0.40 -0.22 0.82 1.06 0.00 0.00 176.91 179.06 3dyg h ILE 92 N 0.62 1.29 -0.44 -1.22 2.04 -1.17 -0.11 117.51 118.52 3dyg h ILE 92 Ca 0.29 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 3dyg h ILE 92 Cb 0.20 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3dyg h ILE 92 CO -0.19 0.45 -0.03 -0.33 0.00 0.00 0.00 178.15 178.05 3dyg h GLU 93 N 0.58 0.73 -0.08 2.37 4.39 -0.59 0.04 114.58 122.02 3dyg h GLU 93 Ca 0.07 -0.20 -0.19 0.00 0.34 0.00 0.00 59.36 59.38 3dyg h GLU 93 Cb 0.78 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3dyg h GLU 93 CO 0.06 0.76 -0.76 0.74 -1.16 0.00 0.00 179.01 178.66 3dyg h PHE 94 N 0.68 0.60 -0.05 4.33 0.05 0.16 -0.93 116.94 121.78 3dyg h PHE 94 Ca 0.13 -0.27 -0.00 0.00 3.82 0.00 0.00 57.97 61.65 3dyg h PHE 94 Cb 0.46 -0.09 -0.00 0.00 2.00 0.00 0.00 35.95 38.32 3dyg h PHE 94 CO 0.02 1.04 0.02 1.25 -0.18 0.00 0.00 178.31 180.46 3dyg h LEU 95 N 0.29 0.06 -0.46 1.54 5.85 -0.65 -1.29 115.31 120.65 3dyg h LEU 95 Ca -0.04 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3dyg h LEU 95 Cb 1.34 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 3dyg h LEU 95 CO 0.13 0.17 0.22 -0.61 -0.34 0.00 0.00 178.44 178.01 3dyg h GLN 96 N -0.05 0.42 -0.79 1.25 4.15 -0.95 -1.77 115.11 117.38 3dyg h GLN 96 Ca 0.02 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.53 3dyg h GLN 96 Cb 0.12 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.64 3dyg h GLN 96 CO -0.00 0.28 0.39 0.00 -1.93 0.00 0.00 178.83 177.57 3dyg h ALA 97 N 1.25 1.13 0.21 3.38 0.00 -0.88 0.27 119.26 124.62 3dyg h ALA 97 Ca 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dyg h ALA 97 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dyg h ALA 97 CO -0.15 -0.07 -0.10 1.25 0.00 0.00 0.00 179.25 180.18 3dyg h HIS 98 N 0.61 -0.26 -0.93 0.00 -0.00 -0.57 -1.30 115.15 112.70 3dyg h HIS 98 Ca 0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.77 3dyg h HIS 98 Cb 0.51 0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.96 3dyg h HIS 98 CO -0.10 -0.12 0.59 1.88 -0.00 0.00 0.00 177.93 180.18 3dyg h TYR 99 N -0.34 1.21 -0.80 5.26 0.05 -0.46 -2.59 116.97 119.29 3dyg h TYR 99 Ca -0.03 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3dyg h TYR 99 Cb 0.26 -0.40 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 3dyg h TYR 99 CO -0.05 0.78 0.45 -0.07 -1.05 0.00 0.00 178.16 178.23 3dyg h LEU 100 N 1.28 0.99 -0.28 3.88 4.07 -0.31 0.43 115.31 125.36 3dyg h LEU 100 Ca 0.34 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 3dyg h LEU 100 Cb -0.10 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.38 3dyg h LEU 100 CO -0.07 0.79 0.16 0.58 -1.08 0.00 0.00 178.44 178.82 3dyg h VAL 101 N 1.10 1.11 -0.17 1.22 2.07 -0.87 -0.70 116.25 120.02 3dyg h VAL 101 Ca 0.28 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 3dyg h VAL 101 Cb 0.01 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3dyg h VAL 101 CO -0.05 0.11 -0.37 -0.33 0.02 0.00 0.00 177.57 176.96 3dyg h GLU 102 N 0.34 0.54 -0.52 1.57 4.39 -1.28 -3.11 114.58 116.52 3dyg h GLU 102 Ca 0.10 -0.36 0.07 0.00 0.34 0.00 0.00 59.36 59.51 3dyg h GLU 102 Cb 0.03 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 3dyg h GLU 102 CO -0.02 0.97 0.20 0.22 -1.16 0.00 0.00 179.01 179.22 3dyg h ASP 103 N 0.18 0.22 -0.96 1.42 3.58 -0.04 0.24 116.42 121.06 3dyg h ASP 103 Ca 0.00 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.56 3dyg h ASP 103 Cb 0.97 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.99 3dyg h ASP 103 CO 0.08 0.15 0.63 0.44 -2.88 0.00 0.00 179.24 177.66 3dyg h ASP 104 N 0.39 1.01 -0.13 2.28 3.32 -1.16 0.84 116.42 122.95 3dyg h ASP 104 Ca 0.25 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3dyg h ASP 104 Cb 0.26 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3dyg h ASP 104 CO -0.24 0.66 -0.01 0.40 -1.72 0.00 0.00 179.24 178.33 3dyg h ILE 105 N 1.15 1.26 -0.16 0.35 2.04 -1.12 0.44 117.51 121.48 3dyg h ILE 105 Ca 0.40 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3dyg h ILE 105 Cb 0.12 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3dyg h ILE 105 CO -0.15 0.25 -0.14 0.24 0.00 0.00 0.00 178.15 178.36 3dyg h MET 106 N -0.04 0.25 -0.02 2.37 2.86 0.39 -2.81 114.93 117.92 3dyg h MET 106 Ca 0.04 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3dyg h MET 106 Cb 0.39 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3dyg h MET 106 CO 0.01 0.39 -0.06 -0.25 1.06 0.00 0.00 176.91 178.07 3dyg n ASP 107 N -4.26 2.40 -3.50 1.22 8.00 0.28 -4.97 116.55 115.71 3dyg n ASP 107 Ca -0.01 -1.76 -0.25 0.00 0.71 0.00 0.00 54.79 53.47 3dyg n ASP 107 Cb 0.28 0.05 0.04 0.00 -0.02 0.00 0.00 41.12 41.46 3dyg n ASP 107 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3dyg n ASN 108 N 0.80 -5.40 -4.80 -2.24 5.15 0.05 -4.93 115.26 103.88 3dyg n ASN 108 Ca 0.15 -0.52 -0.31 0.00 -0.60 0.00 0.00 54.58 53.30 3dyg n ASN 108 Cb 0.51 -4.33 0.07 0.00 -0.53 0.00 0.00 39.78 35.50 3dyg n ASN 108 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3dyg s SER 109 N -3.04 4.96 -0.16 1.20 0.01 -0.64 -5.02 113.70 111.01 3dyg s SER 109 Ca 0.51 1.56 0.04 0.00 1.31 0.00 0.00 55.95 59.37 3dyg s SER 109 Cb -0.24 -2.37 -0.13 0.00 0.21 0.00 0.00 66.02 63.49 3dyg s SER 109 CO 0.63 -1.71 -0.10 0.52 0.41 0.00 0.00 173.24 172.99 3dyg n VAL 110 N -3.29 0.97 -4.15 3.43 0.31 -1.26 -4.81 118.33 109.53 3dyg n VAL 110 Ca 0.08 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 63.87 3dyg n VAL 110 Cb 0.54 -0.98 -0.10 0.00 -0.91 0.00 0.00 33.84 32.39 3dyg n VAL 110 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3dyg s THR 111 N -2.34 0.12 -0.23 2.52 -4.23 -1.26 -1.89 115.64 108.33 3dyg s THR 111 Ca -0.19 -1.91 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 3dyg s THR 111 Cb 0.05 -2.03 0.06 0.00 1.34 0.00 0.00 72.50 71.92 3dyg s THR 111 CO 0.44 -0.48 0.60 -0.60 -0.54 0.00 0.00 174.62 174.04 3dyg s ARG 112 N -4.04 0.68 -1.55 3.99 3.52 0.10 -4.18 118.95 117.47 3dyg s ARG 112 Ca 0.24 0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 56.62 3dyg s ARG 112 Cb 0.07 0.29 0.08 0.00 -1.56 0.00 0.00 34.95 33.84 3dyg s ARG 112 CO 0.01 -0.10 0.65 0.54 -0.81 0.00 0.00 175.30 175.60 3dyg n ARG 113 N 3.05 -3.52 -0.26 5.12 1.74 -0.63 -1.19 116.66 120.96 3dyg n ARG 113 Ca -0.15 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3dyg n ARG 113 Cb 0.56 -4.90 0.00 0.00 -1.02 0.00 0.00 32.46 27.10 3dyg n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dyg n GLY 114 N -1.69 1.94 3.60 -0.13 0.00 0.40 -4.99 105.19 104.31 3dyg n GLY 114 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 3dyg n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dyg s LYS 115 N -0.06 1.92 0.61 1.61 3.01 -0.33 -5.08 119.74 121.42 3dyg s LYS 115 Ca 0.00 -2.10 -0.18 0.00 -1.01 0.00 0.00 55.97 52.68 3dyg s LYS 115 Cb 0.00 -1.44 -0.03 0.00 -1.01 0.00 0.00 37.83 35.36 3dyg s LYS 115 CO 0.00 -0.12 1.20 -2.14 0.51 0.00 0.00 175.35 174.79 3dyg s PRO 116 N -3.77 2.88 0.78 -1.68 0.02 -1.26 0.03 135.00 132.00 3dyg s PRO 116 Ca 0.32 1.77 -0.13 0.00 0.02 0.00 0.00 61.00 62.98 3dyg s PRO 116 Cb 0.09 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.75 3dyg s PRO 116 CO 0.16 -1.26 1.19 0.00 -0.33 0.00 0.00 177.00 176.75 3dyg h TRP 118 N -0.75 0.06 0.00 0.00 2.91 -1.92 -0.42 115.95 115.83 3dyg h TRP 118 Ca -0.46 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.60 3dyg h TRP 118 Cb 1.29 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 30.00 3dyg h TRP 118 CO 0.48 -0.09 0.00 2.48 -1.03 0.00 0.00 178.44 180.28 3dyg n TYR 119 N -5.20 0.00 -0.03 2.65 4.11 -1.26 -2.25 117.16 115.18 3dyg n TYR 119 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.05 3dyg n TYR 119 Cb 0.31 -0.20 0.17 0.00 -0.00 0.00 0.00 39.34 39.62 3dyg n TYR 119 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3dyg n ARG 120 N -1.20 2.41 -2.42 -3.48 1.74 -0.18 -4.50 116.66 109.04 3dyg n ARG 120 Ca 0.11 -2.03 -0.38 0.00 -0.77 0.00 0.00 57.85 54.78 3dyg n ARG 120 Cb 0.13 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 3dyg n ARG 120 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3dyg s HIS 121 N -1.05 3.25 0.18 -1.55 3.76 -0.95 -4.83 115.29 114.09 3dyg s HIS 121 Ca 0.27 1.62 -0.18 0.00 -0.15 0.00 0.00 55.06 56.62 3dyg s HIS 121 Cb 0.15 -3.28 0.14 0.00 1.11 0.00 0.00 32.58 30.70 3dyg s HIS 121 CO 0.20 -0.92 1.63 -1.35 -0.85 0.00 0.00 174.74 173.45 3dyg h PRO 122 N 2.86 -0.09 -0.62 8.40 0.11 -1.93 -2.04 132.00 138.69 3dyg h PRO 122 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dyg h PRO 122 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dyg h PRO 122 CO 0.63 -0.06 0.00 -3.47 -0.21 0.00 0.00 178.00 174.89 3dyg n ASP 123 N -5.40 3.24 -4.24 -2.05 -0.08 -1.26 -4.80 116.55 101.97 3dyg n ASP 123 Ca 0.04 -2.32 -0.36 0.00 -1.51 0.00 0.00 54.79 50.65 3dyg n ASP 123 Cb 0.31 -0.48 -0.14 0.00 2.34 0.00 0.00 41.12 43.15 3dyg n ASP 123 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dyg s VAL 124 N -1.78 3.26 0.56 5.18 1.01 -0.77 -5.09 120.40 122.78 3dyg s VAL 124 Ca 0.32 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3dyg s VAL 124 Cb 0.21 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3dyg s VAL 124 CO 0.14 0.07 1.02 0.42 0.00 0.00 0.00 175.10 176.76 3dyg s THR 125 N 1.36 4.21 0.24 3.92 -4.23 -1.26 -4.50 115.64 115.38 3dyg s THR 125 Ca -0.00 1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.50 3dyg s THR 125 Cb -0.18 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.16 3dyg s THR 125 CO -0.01 -0.65 1.69 1.62 -0.54 0.00 0.00 174.62 176.73 3dyg h VAL 126 N 0.56 1.26 -0.54 2.29 3.04 -1.96 0.40 116.25 121.30 3dyg h VAL 126 Ca -0.46 -1.20 -0.06 0.00 -1.01 0.00 0.00 66.70 63.96 3dyg h VAL 126 Cb 1.20 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 3dyg h VAL 126 CO 0.60 0.41 0.09 0.06 -1.01 0.00 0.00 177.57 177.71 3dyg h GLN 127 N 0.67 0.85 -0.03 4.17 -0.00 -1.96 -2.08 115.11 116.73 3dyg h GLN 127 Ca 0.11 -0.20 -0.22 0.00 -0.00 0.00 0.00 58.65 58.34 3dyg h GLN 127 Cb 0.62 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 3dyg h GLN 127 CO 0.04 0.79 -0.90 0.00 -0.00 0.00 0.00 178.83 178.77 3dyg h ALA 129 N 0.74 1.11 -0.80 0.00 0.00 -0.51 0.17 119.26 119.97 3dyg h ALA 129 Ca -0.07 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dyg h ALA 129 Cb 1.52 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 3dyg h ALA 129 CO 0.16 0.17 0.51 0.82 0.00 0.00 0.00 179.25 180.91 3dyg h ILE 130 N 0.85 1.13 -0.04 0.00 2.04 -1.39 -0.21 117.51 119.89 3dyg h ILE 130 Ca 0.36 -0.35 -0.19 0.00 1.00 0.00 0.00 64.86 65.69 3dyg h ILE 130 Cb 0.23 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3dyg h ILE 130 CO -0.20 0.18 -0.79 -1.13 0.00 0.00 0.00 178.15 176.22 3dyg h ASN 131 N 1.01 0.39 -0.68 1.72 -1.24 -1.29 -2.85 115.58 112.64 3dyg h ASN 131 Ca 0.32 -0.28 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 3dyg h ASN 131 Cb -0.01 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 3dyg h ASN 131 CO -0.11 1.03 0.35 0.44 -1.29 0.00 0.00 177.43 177.85 3dyg h ASP 132 N 0.20 0.89 -0.50 1.15 3.32 -0.16 -0.17 116.42 121.17 3dyg h ASP 132 Ca -0.04 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.97 3dyg h ASP 132 Cb 1.38 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 3dyg h ASP 132 CO 0.13 0.75 0.25 1.23 -1.72 0.00 0.00 179.24 179.87 3dyg h GLY 133 N 1.05 0.69 1.04 2.75 0.00 -0.87 -1.42 103.07 106.31 3dyg h GLY 133 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3dyg h GLY 133 CO -0.03 0.10 0.59 1.41 0.00 0.00 0.00 176.54 178.61 3dyg h LEU 134 N 0.48 1.13 -0.66 3.11 3.38 -0.88 -2.30 115.31 119.57 3dyg h LEU 134 Ca 0.22 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3dyg h LEU 134 Cb 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3dyg h LEU 134 CO -0.16 0.85 0.42 -0.07 0.09 0.00 0.00 178.44 179.58 3dyg h LEU 135 N 1.31 0.71 -0.88 1.67 3.38 -0.28 -1.73 115.31 119.48 3dyg h LEU 135 Ca 0.34 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.44 3dyg h LEU 135 Cb -0.08 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.42 3dyg h LEU 135 CO -0.07 0.50 0.49 -0.07 0.09 0.00 0.00 178.44 179.39 3dyg h LEU 136 N 0.84 0.65 -0.24 1.67 3.38 -0.70 -0.47 115.31 120.44 3dyg h LEU 136 Ca 0.25 0.07 -0.21 0.00 0.09 0.00 0.00 57.88 58.08 3dyg h LEU 136 Cb -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3dyg h LEU 136 CO -0.08 0.31 -0.84 0.50 0.09 0.00 0.00 178.44 178.42 3dyg h LYS 137 N 0.74 0.52 -0.21 1.13 3.64 -1.33 -3.11 116.57 117.95 3dyg h LYS 137 Ca 0.46 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3dyg h LYS 137 Cb 0.58 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3dyg h LYS 137 CO -0.32 1.11 -0.03 0.77 -2.27 0.00 0.00 179.45 178.71 3dyg h SER 138 N 0.33 0.29 0.17 4.20 0.02 -0.56 -2.28 113.55 115.72 3dyg h SER 138 Ca -0.06 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3dyg h SER 138 Cb 1.46 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 3dyg h SER 138 CO 0.15 0.37 -0.21 -0.50 -1.14 0.00 0.00 176.83 175.51 3dyg h TRP 139 N 0.31 0.08 -0.77 3.45 6.55 -1.04 -1.54 115.95 122.99 3dyg h TRP 139 Ca 0.07 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.86 3dyg h TRP 139 Cb 0.25 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.50 3dyg h TRP 139 CO 0.01 0.28 0.31 1.79 -1.05 0.00 0.00 178.44 179.77 3dyg h THR 140 N 0.07 1.26 -0.10 1.49 1.35 -1.45 -0.00 112.91 115.53 3dyg h THR 140 Ca 0.01 -0.80 -0.21 0.00 -0.55 0.00 0.00 66.41 64.86 3dyg h THR 140 Cb 0.41 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 3dyg h THR 140 CO 0.03 0.33 -0.78 0.45 -0.25 0.00 0.00 175.52 175.30 3dyg h HIS 141 N 1.12 0.77 -0.41 4.73 3.86 -1.45 -2.39 115.15 121.37 3dyg h HIS 141 Ca 0.26 -0.35 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 3dyg h HIS 141 Cb 0.21 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3dyg h HIS 141 CO 0.02 1.14 0.13 0.52 0.86 0.00 0.00 177.93 180.60 3dyg h MET 142 N 0.38 0.65 -0.14 2.45 2.07 -0.83 -2.05 114.93 117.46 3dyg h MET 142 Ca -0.05 -0.14 -0.12 0.00 -2.07 0.00 0.00 59.70 57.32 3dyg h MET 142 Cb 1.38 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 31.01 3dyg h MET 142 CO 0.14 0.64 -0.44 0.00 1.07 0.00 0.00 176.91 178.33 3dyg h MET 143 N 0.53 0.33 0.09 1.72 -0.00 -1.05 -2.10 114.93 114.45 3dyg h MET 143 Ca 0.13 -0.17 -0.00 0.00 -0.00 0.00 0.00 59.70 59.66 3dyg h MET 143 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 3dyg h MET 143 CO -0.00 0.71 -0.04 0.00 -0.00 0.00 0.00 176.91 177.57 3dyg h ALA 144 N 1.27 -0.12 -0.41 -3.00 0.00 -1.21 -2.09 119.26 113.71 3dyg h ALA 144 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3dyg h ALA 144 Cb 0.88 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3dyg h ALA 144 CO 0.07 -0.54 0.09 1.98 0.00 0.00 0.00 179.25 180.85 3dyg h MET 145 N -0.17 0.66 -0.95 0.00 -1.53 -1.34 0.14 114.93 111.74 3dyg h MET 145 Ca -0.01 -0.17 0.06 0.00 -3.44 0.00 0.00 59.70 56.15 3dyg h MET 145 Cb 0.13 -0.08 -0.07 0.00 -0.55 0.00 0.00 31.60 31.03 3dyg h MET 145 CO 0.02 0.69 0.61 1.25 0.14 0.00 0.00 176.91 179.62 3dyg h HIS 146 N 0.52 1.13 0.00 1.39 6.17 -1.26 -2.27 115.15 120.83 3dyg h HIS 146 Ca 0.13 0.03 -0.30 0.00 0.71 0.00 0.00 60.37 60.94 3dyg h HIS 146 Cb 0.33 -0.37 -0.06 0.00 2.52 0.00 0.00 27.41 29.84 3dyg h HIS 146 CO 0.02 0.58 -2.09 1.19 0.71 0.00 0.00 177.93 178.35 3dyg n PHE 147 N -4.54 0.35 -0.15 5.26 3.72 -0.79 -4.63 117.46 116.68 3dyg n PHE 147 Ca 0.14 0.13 0.04 0.00 -0.05 0.00 0.00 57.45 57.71 3dyg n PHE 147 Cb 0.18 -1.02 0.11 0.00 -0.94 0.00 0.00 39.48 37.81 3dyg n PHE 147 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3dyg n PHE 148 N -2.80 0.34 -0.27 1.38 3.72 0.50 -4.73 117.46 115.61 3dyg n PHE 148 Ca -0.24 -0.51 0.24 0.00 -0.05 0.00 0.00 57.45 56.89 3dyg n PHE 148 Cb 1.05 -0.04 0.58 0.00 -0.94 0.00 0.00 39.48 40.14 3dyg n PHE 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dyg h ALA 149 N 1.44 2.45 -0.02 4.37 0.00 -1.54 -1.17 119.26 124.79 3dyg h ALA 149 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dyg h ALA 149 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dyg h ALA 149 CO 0.00 -0.78 -0.31 -0.25 0.00 0.00 0.00 179.25 177.91 3dyg n ASP 150 N -4.46 1.96 -4.75 0.00 8.00 -1.26 -4.95 116.55 111.10 3dyg n ASP 150 Ca 0.22 -1.48 -0.41 0.00 0.71 0.00 0.00 54.79 53.84 3dyg n ASP 150 Cb 0.88 0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 42.22 3dyg n ASP 150 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dyg s ARG 151 N -2.36 4.63 0.41 -1.24 1.81 -0.44 -4.95 118.95 116.80 3dyg s ARG 151 Ca 0.23 1.72 0.13 0.00 -1.72 0.00 0.00 55.73 56.09 3dyg s ARG 151 Cb 0.19 -3.25 0.85 0.00 -0.45 0.00 0.00 34.95 32.29 3dyg s ARG 151 CO 0.49 0.16 1.91 -1.35 -0.68 0.00 0.00 175.30 175.84 3dyg h PRO 152 N 4.62 0.05 0.00 3.54 0.11 -1.92 -2.52 132.00 135.89 3dyg h PRO 152 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dyg h PRO 152 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dyg h PRO 152 CO 0.70 0.29 0.00 1.97 -0.21 0.00 0.00 178.00 180.76 3dyg n PHE 153 N -4.23 0.00 -0.28 0.65 1.16 -1.26 -4.39 117.46 109.11 3dyg n PHE 153 Ca -0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.46 3dyg n PHE 153 Cb 0.31 -0.14 -0.08 0.00 -1.61 0.00 0.00 39.48 37.96 3dyg n PHE 153 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 3dyg h LEU 154 N 0.00 -1.70 -0.24 5.98 5.85 -1.72 0.17 115.31 123.65 3dyg h LEU 154 Ca 0.00 0.25 0.05 0.00 0.84 0.00 0.00 57.88 59.02 3dyg h LEU 154 Cb 0.14 0.74 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3dyg h LEU 154 CO 0.00 -0.23 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.21 3dyg h GLN 155 N -0.09 0.01 -0.58 1.25 4.15 -1.85 -0.67 115.11 117.34 3dyg h GLN 155 Ca 0.11 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 3dyg h GLN 155 Cb 0.38 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 3dyg h GLN 155 CO -0.69 0.01 0.12 0.22 -1.93 0.00 0.00 178.83 176.56 3dyg h ASP 156 N 0.01 0.85 0.36 -0.69 3.58 -1.72 0.21 116.42 119.02 3dyg h ASP 156 Ca 0.12 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 3dyg h ASP 156 Cb 0.17 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.00 3dyg h ASP 156 CO -0.24 0.84 -0.17 0.25 -2.88 0.00 0.00 179.24 177.04 3dyg h LEU 157 N 0.87 -0.41 -1.03 2.28 5.85 -0.13 -2.09 115.31 120.65 3dyg h LEU 157 Ca 0.18 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3dyg h LEU 157 Cb 0.34 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3dyg h LEU 157 CO 0.00 -0.22 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.36 3dyg h LEU 158 N -0.58 0.06 -0.89 2.25 3.38 -1.02 -1.20 115.31 117.31 3dyg h LEU 158 Ca -0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3dyg h LEU 158 Cb 0.43 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3dyg h LEU 158 CO 0.08 0.51 0.13 0.00 0.09 0.00 0.00 178.44 179.25 3dyg h ARG 160 N 0.90 0.55 -0.29 0.00 3.08 -1.10 -2.69 114.38 114.82 3dyg h ARG 160 Ca 0.19 -0.58 0.04 0.00 0.07 0.00 0.00 59.98 59.70 3dyg h ARG 160 Cb 0.35 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 3dyg h ARG 160 CO 0.00 1.20 0.04 0.35 -1.07 0.00 0.00 179.97 180.49 3dyg h PHE 161 N 0.12 0.06 -0.50 3.04 3.57 -1.07 -1.98 116.94 120.18 3dyg h PHE 161 Ca -0.10 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 3dyg h PHE 161 Cb 1.48 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 3dyg h PHE 161 CO 0.13 -0.00 0.07 -0.91 -2.23 0.00 0.00 178.31 175.36 3dyg h ASN 162 N 0.13 0.74 -0.70 0.41 2.35 -1.21 -0.77 115.58 116.53 3dyg h ASN 162 Ca 0.14 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3dyg h ASN 162 Cb 0.16 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3dyg h ASN 162 CO -0.20 0.77 0.19 0.03 -1.65 0.00 0.00 177.43 176.57 3dyg h ARG 163 N 0.75 1.12 -0.33 0.81 3.08 -1.09 -0.32 114.38 118.40 3dyg h ARG 163 Ca 0.16 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 3dyg h ARG 163 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3dyg h ARG 163 CO 0.01 0.98 -0.38 0.28 -1.07 0.00 0.00 179.97 179.79 3dyg h VAL 164 N 1.07 1.28 -0.04 2.04 2.07 -1.06 0.50 116.25 122.11 3dyg h VAL 164 Ca 0.23 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.22 3dyg h VAL 164 Cb 0.35 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3dyg h VAL 164 CO -0.00 0.51 -0.12 -0.78 0.02 0.00 0.00 177.57 177.19 3dyg h ASP 165 N 0.64 -0.36 -0.70 0.57 3.58 -0.80 -1.18 116.42 118.17 3dyg h ASP 165 Ca 0.06 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.62 3dyg h ASP 165 Cb 0.93 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.09 3dyg h ASP 165 CO 0.09 -0.17 0.41 0.22 -2.88 0.00 0.00 179.24 176.91 3dyg h TYR 166 N -0.18 0.76 0.00 0.28 3.20 -0.77 -2.21 116.97 118.05 3dyg h TYR 166 Ca 0.06 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3dyg h TYR 166 Cb 0.26 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3dyg h TYR 166 CO -0.20 0.39 -0.30 1.79 -1.64 0.00 0.00 178.16 178.20 3dyg h THR 167 N 0.77 1.17 -0.38 1.81 1.35 -0.30 -2.17 112.91 115.16 3dyg h THR 167 Ca 0.30 -1.03 -0.15 0.00 -0.55 0.00 0.00 66.41 64.98 3dyg h THR 167 Cb 0.13 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 3dyg h THR 167 CO -0.16 0.29 -0.37 0.74 -0.25 0.00 0.00 175.52 175.77 3dyg h THR 168 N 0.00 1.27 -0.49 6.82 2.02 -0.63 -1.00 112.91 120.91 3dyg h THR 168 Ca -0.00 -1.54 -0.08 0.00 0.77 0.00 0.00 66.41 65.56 3dyg h THR 168 Cb 0.54 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3dyg h THR 168 CO 0.04 0.51 -0.01 0.00 0.37 0.00 0.00 175.52 176.44 3dyg h ALA 169 N 0.77 1.07 -0.55 6.16 0.00 -1.19 -0.94 119.26 124.58 3dyg h ALA 169 Ca 0.06 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3dyg h ALA 169 Cb 0.96 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3dyg h ALA 169 CO 0.09 0.58 0.04 0.28 0.00 0.00 0.00 179.25 180.25 3dyg h VAL 170 N 0.76 1.26 -0.40 0.00 2.07 -1.20 -1.96 116.25 116.78 3dyg h VAL 170 Ca 0.15 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3dyg h VAL 170 Cb 0.47 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3dyg h VAL 170 CO 0.02 0.38 -0.07 1.23 0.02 0.00 0.00 177.57 179.15 3dyg h GLY 171 N 0.82 0.73 1.77 2.17 0.00 -0.77 -2.01 103.07 105.78 3dyg h GLY 171 Ca 0.16 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3dyg h GLY 171 CO 0.02 0.47 -0.17 1.46 0.00 0.00 0.00 176.54 178.31 3dyg h GLN 172 N 0.63 0.28 -0.14 4.80 1.08 -0.89 0.76 115.11 121.62 3dyg h GLN 172 Ca 0.12 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3dyg h GLN 172 Cb 0.49 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3dyg h GLN 172 CO 0.03 0.45 0.04 1.25 -0.95 0.00 0.00 178.83 179.65 3dyg h LEU 173 N 0.26 0.21 -1.34 1.46 5.85 -0.68 -1.51 115.31 119.56 3dyg h LEU 173 Ca 0.05 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3dyg h LEU 173 Cb 0.46 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3dyg h LEU 173 CO 0.03 0.38 0.34 1.88 -0.34 0.00 0.00 178.44 180.73 3dyg h TYR 174 N 0.04 0.76 -0.12 1.25 0.05 -0.72 -2.38 116.97 115.85 3dyg h TYR 174 Ca 0.05 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 3dyg h TYR 174 Cb 0.24 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 3dyg h TYR 174 CO 0.00 0.52 -0.08 0.22 -1.05 0.00 0.00 178.16 177.77 3dyg h ASP 175 N 0.80 0.28 1.24 3.88 1.82 -0.59 -2.91 116.42 120.94 3dyg h ASP 175 Ca 0.21 -0.44 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 3dyg h ASP 175 Cb -0.02 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.91 3dyg h ASP 175 CO -0.04 0.66 0.00 1.33 -1.61 0.00 0.00 179.24 179.58 3dyg n VAL 176 N -4.66 0.45 -0.64 2.25 0.24 -0.59 -3.25 118.33 112.13 3dyg n VAL 176 Ca -0.06 -0.14 0.07 0.00 -2.04 0.00 0.00 64.34 62.16 3dyg n VAL 176 Cb 0.31 -0.62 0.20 0.00 -1.47 0.00 0.00 33.84 32.25 3dyg n VAL 176 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3dyg n THR 177 N -2.01 1.71 0.14 3.34 -2.24 -0.90 -4.64 114.28 109.68 3dyg n THR 177 Ca 0.06 -1.53 0.02 0.00 -2.27 0.00 0.00 64.05 60.32 3dyg n THR 177 Cb 0.38 0.07 0.10 0.00 -2.10 0.00 0.00 70.33 68.78 3dyg n THR 177 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dyg h SER 178 N 1.65 0.00 -0.55 3.42 4.64 -1.49 -3.20 113.55 118.02 3dyg h SER 178 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dyg h SER 178 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3dyg h SER 178 CO 0.11 0.54 0.00 1.15 -0.87 0.00 0.00 176.83 177.77 3dyg n MET 179 N -3.36 2.94 -5.23 4.77 0.00 -1.26 -4.81 117.12 110.16 3dyg n MET 179 Ca 0.01 -2.24 -0.32 0.00 0.00 0.00 0.00 57.70 55.15 3dyg n MET 179 Cb 0.69 -1.67 -0.16 0.00 0.00 0.00 0.00 33.22 32.08 3dyg n MET 179 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3dyg s PHE 180 N -1.60 2.48 -0.28 3.17 0.08 -1.21 0.34 117.98 120.96 3dyg s PHE 180 Ca 0.41 -0.77 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 3dyg s PHE 180 Cb 0.25 -1.63 -0.06 0.00 -0.57 0.00 0.00 43.02 41.00 3dyg s PHE 180 CO 0.22 -0.24 2.25 -3.47 -0.10 0.00 0.00 175.22 173.87 3dyg n ASP 181 N 3.06 2.94 0.17 1.36 -0.08 -1.26 -4.82 116.55 117.92 3dyg n ASP 181 Ca -0.18 0.16 0.13 0.00 -1.51 0.00 0.00 54.79 53.39 3dyg n ASP 181 Cb 0.52 -1.51 0.68 0.00 2.34 0.00 0.00 41.12 43.15 3dyg n ASP 181 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3dyg h SER 182 N 15.12 0.00 0.28 1.67 4.64 -1.95 0.16 113.55 133.47 3dyg h SER 182 Ca -0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3dyg h SER 182 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dyg h SER 182 CO 0.99 0.00 -0.16 0.78 -0.87 0.00 0.00 176.83 177.58 3dyg h ASN 183 N 0.00 0.00 -0.12 4.97 -0.26 -2.01 -1.77 115.58 116.39 3dyg h ASN 183 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3dyg h ASN 183 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 3dyg h ASN 183 CO -0.00 0.16 0.00 0.29 -1.06 0.00 0.00 177.43 176.82 3dyg n LYS 184 N -3.95 2.27 -1.56 0.81 5.02 0.02 -4.92 118.16 115.84 3dyg n LYS 184 Ca -0.02 -1.86 -0.42 0.00 -2.02 0.00 0.00 58.31 53.99 3dyg n LYS 184 Cb 0.25 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 3dyg n LYS 184 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3dyg n LEU 185 N 1.20 2.65 -3.36 -0.35 0.00 -0.67 -4.90 117.00 111.56 3dyg n LEU 185 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 56.01 56.06 3dyg n LEU 185 Cb 0.56 -1.50 -0.08 0.00 0.00 0.00 0.00 43.42 42.40 3dyg n LEU 185 CO 0.15 -1.01 -0.04 -0.62 0.00 0.00 0.00 177.39 175.87 3dyg s ASP 186 N 9.61 0.16 0.39 1.96 -1.08 -1.26 -5.05 116.67 121.41 3dyg s ASP 186 Ca 1.03 0.29 0.23 0.00 -0.52 0.00 0.00 52.55 53.58 3dyg s ASP 186 Cb -0.39 1.16 1.31 0.00 -1.46 0.00 0.00 42.92 43.54 3dyg s ASP 186 CO 0.34 -0.29 1.63 -0.65 0.52 0.00 0.00 175.17 176.72 3dyg h PRO 187 N 8.18 0.13 -0.00 4.34 0.11 -2.02 -0.59 132.00 142.15 3dyg h PRO 187 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3dyg h PRO 187 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dyg h PRO 187 CO 0.26 0.09 -0.01 -0.25 -0.21 0.00 0.00 178.00 177.88 3dyg n ASP 188 N -4.94 0.02 -3.86 -2.05 8.00 -1.26 -4.78 116.55 107.68 3dyg n ASP 188 Ca 0.36 0.36 -0.22 0.00 0.71 0.00 0.00 54.79 55.99 3dyg n ASP 188 Cb 1.26 -0.44 -0.17 0.00 -0.02 0.00 0.00 41.12 41.76 3dyg n ASP 188 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dyg s VAL 189 N -2.92 0.57 0.84 2.53 1.01 -0.23 -5.14 120.40 117.06 3dyg s VAL 189 Ca 0.17 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 3dyg s VAL 189 Cb 0.19 -0.64 0.09 0.00 0.00 0.00 0.00 36.38 36.03 3dyg s VAL 189 CO 0.52 0.26 1.09 -0.94 0.00 0.00 0.00 175.10 176.04 3dyg s SER 190 N 1.38 4.00 -0.13 3.32 1.04 -1.26 -4.53 113.70 117.52 3dyg s SER 190 Ca -0.04 1.59 -0.26 0.00 0.48 0.00 0.00 55.95 57.73 3dyg s SER 190 Cb -0.13 -2.29 0.06 0.00 0.10 0.00 0.00 66.02 63.76 3dyg s SER 190 CO -0.03 -2.32 0.63 -1.58 0.98 0.00 0.00 173.24 170.93 3dyg s GLN 191 N -4.95 0.90 0.77 4.02 2.00 -1.26 -5.07 119.66 116.08 3dyg s GLN 191 Ca 0.62 0.48 -0.04 0.00 -2.00 0.00 0.00 55.36 54.42 3dyg s GLN 191 Cb -0.17 0.43 0.14 0.00 0.80 0.00 0.00 33.01 34.21 3dyg s GLN 191 CO 0.56 -0.22 1.06 -1.25 -0.50 0.00 0.00 175.29 174.95 3dyg s PRO 192 N -0.58 1.49 0.46 1.67 0.04 -1.26 -5.02 135.00 131.80 3dyg s PRO 192 Ca -0.07 -0.91 -0.24 0.00 0.04 0.00 0.00 61.00 59.82 3dyg s PRO 192 Cb -0.02 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 3dyg s PRO 192 CO 0.06 -1.64 1.32 2.41 0.04 0.00 0.00 177.00 179.19 3dyg n THR 193 N -3.04 2.93 -1.64 1.26 -1.04 -1.26 -4.69 114.28 106.80 3dyg n THR 193 Ca 0.15 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.25 3dyg n THR 193 Cb 0.60 -1.64 0.02 0.00 -1.82 0.00 0.00 70.33 67.49 3dyg n THR 193 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3dyg n THR 194 N -0.44 2.66 0.26 12.58 5.66 0.15 -4.91 114.28 130.24 3dyg n THR 194 Ca 0.07 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.60 3dyg n THR 194 Cb 0.41 -1.30 -0.04 0.00 -1.55 0.00 0.00 70.33 67.85 3dyg n THR 194 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3dyg n THR 195 N -0.55 0.00 0.67 1.09 -2.24 -1.26 -4.52 114.28 107.47 3dyg n THR 195 Ca 0.09 -0.31 0.07 0.00 -2.27 0.00 0.00 64.05 61.63 3dyg n THR 195 Cb 0.40 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.45 3dyg n THR 195 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dyg n ASP 196 N -1.25 0.78 -2.43 3.42 5.75 -1.26 -4.98 116.55 116.58 3dyg n ASP 196 Ca 0.01 -0.89 -0.06 0.00 -0.01 0.00 0.00 54.79 53.84 3dyg n ASP 196 Cb 0.12 0.93 -0.00 0.00 -1.03 0.00 0.00 41.12 41.14 3dyg n ASP 196 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3dyg n PHE 197 N -1.18 -1.66 0.30 2.11 3.72 -1.26 -4.81 117.46 114.67 3dyg n PHE 197 Ca 0.03 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.61 3dyg n PHE 197 Cb 0.23 -1.90 0.99 0.00 -0.94 0.00 0.00 39.48 37.85 3dyg n PHE 197 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dyg h ALA 198 N 1.01 1.42 -0.01 4.37 0.00 -1.97 -1.96 119.26 122.12 3dyg h ALA 198 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dyg h ALA 198 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dyg h ALA 198 CO 0.18 -0.06 -0.20 0.39 0.00 0.00 0.00 179.25 179.56 3dyg n GLU 199 N -3.59 1.22 -1.55 0.00 1.02 -1.26 -4.57 120.64 111.90 3dyg n GLU 199 Ca -0.02 -0.79 -0.42 0.00 -0.02 0.00 0.00 57.16 55.91 3dyg n GLU 199 Cb 0.13 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 3dyg n GLU 199 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3dyg n PHE 200 N -0.21 3.02 -4.30 -0.32 3.01 -0.74 -4.71 117.46 113.21 3dyg n PHE 200 Ca 0.14 -2.61 -0.25 0.00 1.01 0.00 0.00 57.45 55.73 3dyg n PHE 200 Cb 0.38 -2.29 -0.09 0.00 -0.01 0.00 0.00 39.48 37.47 3dyg n PHE 200 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3dyg s THR 201 N 3.78 3.22 0.34 4.37 -4.23 -1.26 -4.58 115.64 117.29 3dyg s THR 201 Ca 0.50 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3dyg s THR 201 Cb 0.14 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.60 3dyg s THR 201 CO -0.02 -0.21 2.00 0.25 -0.54 0.00 0.00 174.62 176.10 3dyg h LEU 202 N 2.56 0.75 -0.17 4.79 5.85 -1.90 -0.63 115.31 126.55 3dyg h LEU 202 Ca -0.45 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3dyg h LEU 202 Cb 1.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3dyg h LEU 202 CO 0.56 0.55 0.05 0.28 -0.34 0.00 0.00 178.44 179.54 3dyg h SER 203 N 0.88 0.04 -0.49 1.25 0.02 -1.96 -0.01 113.55 113.29 3dyg h SER 203 Ca 0.24 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 3dyg h SER 203 Cb -0.09 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3dyg h SER 203 CO -0.05 0.05 0.04 0.78 -1.14 0.00 0.00 176.83 176.51 3dyg h ASN 204 N 0.13 0.85 -0.28 3.07 -0.26 -1.71 -2.65 115.58 114.73 3dyg h ASN 204 Ca 0.08 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 3dyg h ASN 204 Cb 0.06 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 3dyg h ASN 204 CO -0.09 0.89 0.14 0.22 -1.06 0.00 0.00 177.43 177.53 3dyg h TYR 205 N 0.83 0.41 -0.69 1.19 3.20 -0.59 -2.23 116.97 119.09 3dyg h TYR 205 Ca 0.16 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3dyg h TYR 205 Cb 0.44 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3dyg h TYR 205 CO 0.03 0.37 0.43 0.87 -1.64 0.00 0.00 178.16 178.22 3dyg h LYS 206 N 0.33 0.93 -0.27 1.82 1.57 -0.86 -1.98 116.57 118.10 3dyg h LYS 206 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3dyg h LYS 206 Cb 0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3dyg h LYS 206 CO -0.01 0.63 0.03 -0.09 -0.57 0.00 0.00 179.45 179.45 3dyg h ARG 207 N 0.95 0.46 0.12 3.15 2.43 -1.23 -1.04 114.38 119.21 3dyg h ARG 207 Ca 0.25 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3dyg h ARG 207 Cb -0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3dyg h ARG 207 CO -0.05 0.58 -0.25 0.82 -1.51 0.00 0.00 179.97 179.57 3dyg h ILE 208 N 0.27 0.46 -0.63 1.20 2.04 -0.94 -2.93 117.51 116.98 3dyg h ILE 208 Ca 0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 3dyg h ILE 208 Cb 0.35 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3dyg h ILE 208 CO 0.01 0.00 0.26 0.58 0.00 0.00 0.00 178.15 179.00 3dyg h VAL 209 N -0.45 1.23 -0.02 1.67 2.07 -1.37 -1.41 116.25 117.98 3dyg h VAL 209 Ca 0.03 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3dyg h VAL 209 Cb 0.47 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3dyg h VAL 209 CO -0.14 0.28 -0.23 0.50 0.02 0.00 0.00 177.57 178.00 3dyg h LYS 210 N 0.88 -0.34 0.06 1.57 3.64 -1.12 -1.45 116.57 119.81 3dyg h LYS 210 Ca 0.21 0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.36 3dyg h LYS 210 Cb 0.19 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3dyg h LYS 210 CO -0.02 -0.23 -1.08 1.88 -2.27 0.00 0.00 179.45 177.73 3dyg h TYR 211 N -0.35 0.62 0.00 1.91 0.05 -1.47 -2.52 116.97 115.20 3dyg h TYR 211 Ca 0.07 -0.38 -0.05 0.00 0.05 0.00 0.00 58.73 58.42 3dyg h TYR 211 Cb 0.44 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 3dyg h TYR 211 CO -0.28 1.23 -0.41 1.57 -1.05 0.00 0.00 178.16 179.23 3dyg h LYS 212 N 0.18 0.00 0.00 4.88 2.10 -1.29 -3.21 116.57 119.24 3dyg h LYS 212 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 3dyg h LYS 212 Cb 1.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 3dyg h LYS 212 CO 0.19 0.21 -0.50 2.41 -2.00 0.00 0.00 179.45 179.75 3dyg n THR 213 N -3.08 0.13 -0.16 0.07 -1.04 -0.58 -4.86 114.28 104.76 3dyg n THR 213 Ca 0.02 0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.03 3dyg n THR 213 Cb 0.63 -1.12 0.03 0.00 -1.82 0.00 0.00 70.33 68.05 3dyg n THR 213 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dyg h ALA 214 N 0.00 0.18 0.50 2.41 0.00 -1.03 -1.21 119.26 120.10 3dyg h ALA 214 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dyg h ALA 214 Cb 0.50 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3dyg h ALA 214 CO 0.00 -0.54 -0.32 1.88 0.00 0.00 0.00 179.25 180.27 3dyg h TYR 215 N -0.09 -0.85 0.00 0.00 0.05 -1.79 -1.39 116.97 112.90 3dyg h TYR 215 Ca 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.01 3dyg h TYR 215 Cb 0.46 0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.50 3dyg h TYR 215 CO -0.49 -0.49 0.00 0.10 -1.05 0.00 0.00 178.16 176.23 3dyg h TYR 216 N -0.79 0.00 0.07 4.88 -0.00 -1.85 -0.69 116.97 118.59 3dyg h TYR 216 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.33 3dyg h TYR 216 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.35 3dyg h TYR 216 CO -0.11 0.00 -1.95 2.41 -0.00 0.00 0.00 178.16 178.51 3dyg n THR 217 N -2.91 1.69 -0.04 -0.90 -1.04 -0.46 -4.52 114.28 106.10 3dyg n THR 217 Ca 0.04 -0.71 -0.08 0.00 -2.04 0.00 0.00 64.05 61.27 3dyg n THR 217 Cb 0.51 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 3dyg n THR 217 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3dyg n TYR 218 N -3.29 0.00 -0.00 -1.42 4.02 -0.54 -4.66 117.16 111.26 3dyg n TYR 218 Ca -0.28 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.49 3dyg n TYR 218 Cb 1.05 -0.27 -0.08 0.00 -0.02 0.00 0.00 39.34 40.02 3dyg n TYR 218 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3dyg h LEU 219 N -0.28 0.04 -0.74 7.72 5.85 -1.32 -3.19 115.31 123.40 3dyg h LEU 219 Ca -0.19 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.29 3dyg h LEU 219 Cb 1.12 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 3dyg h LEU 219 CO -0.11 0.34 0.43 0.25 -0.34 0.00 0.00 178.44 179.00 3dyg h LEU 220 N -0.25 0.64 -0.76 2.25 5.85 -1.37 0.25 115.31 121.91 3dyg h LEU 220 Ca 0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3dyg h LEU 220 Cb 0.31 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3dyg h LEU 220 CO 0.00 0.40 0.36 -0.65 -0.34 0.00 0.00 178.44 178.22 3dyg h PRO 221 N 0.77 1.09 -0.05 5.25 0.11 -1.79 -0.36 132.00 137.01 3dyg h PRO 221 Ca 0.33 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3dyg h PRO 221 Cb 0.21 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 3dyg h PRO 221 CO -0.19 0.85 0.01 -0.07 -0.21 0.00 0.00 178.00 178.39 3dyg h LEU 222 N 1.07 0.09 -0.20 2.35 3.38 -1.41 -1.93 115.31 118.66 3dyg h LEU 222 Ca 0.26 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dyg h LEU 222 Cb 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dyg h LEU 222 CO -0.03 0.32 0.12 0.58 0.09 0.00 0.00 178.44 179.52 3dyg h VAL 223 N -0.15 1.07 -0.64 1.22 2.07 -0.81 -1.41 116.25 117.60 3dyg h VAL 223 Ca 0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3dyg h VAL 223 Cb 0.27 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3dyg h VAL 223 CO 0.00 0.07 0.36 0.24 0.02 0.00 0.00 177.57 178.26 3dyg h MET 224 N 0.24 0.87 -0.69 1.57 2.86 -1.08 -0.52 114.93 118.19 3dyg h MET 224 Ca 0.07 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3dyg h MET 224 Cb 0.01 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 3dyg h MET 224 CO -0.01 0.63 0.28 0.78 1.06 0.00 0.00 176.91 179.64 3dyg h GLY 225 N 0.93 1.11 1.38 8.32 0.00 -0.90 -2.11 103.07 111.80 3dyg h GLY 225 Ca 0.23 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 3dyg h GLY 225 CO -0.04 0.57 -0.24 1.41 0.00 0.00 0.00 176.54 178.24 3dyg h LEU 226 N 0.98 0.72 0.20 3.11 3.38 -0.51 -2.89 115.31 120.29 3dyg h LEU 226 Ca 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dyg h LEU 226 Cb 0.21 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dyg h LEU 226 CO -0.02 0.94 -0.09 0.40 0.09 0.00 0.00 178.44 179.76 3dyg h ILE 227 N 0.62 0.90 0.00 1.22 2.04 -0.83 0.58 117.51 122.04 3dyg h ILE 227 Ca 0.08 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3dyg h ILE 227 Cb 0.73 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3dyg h ILE 227 CO 0.06 0.15 -0.01 -0.37 0.00 0.00 0.00 178.15 177.98 3dyg h VAL 228 N -0.60 0.04 -0.00 1.67 -1.51 -1.45 0.18 116.25 114.58 3dyg h VAL 228 Ca -0.03 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3dyg h VAL 228 Cb 0.44 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3dyg h VAL 228 CO 0.04 0.01 -0.33 -1.20 -1.23 0.00 0.00 177.57 174.86 3dyg n SER 229 N -3.13 0.56 -3.71 4.19 7.64 -1.09 -4.79 113.62 113.29 3dyg n SER 229 Ca -0.02 -0.36 -0.23 0.00 1.01 0.00 0.00 58.87 59.28 3dyg n SER 229 Cb 0.17 0.09 0.03 0.00 -1.01 0.00 0.00 64.21 63.48 3dyg n SER 229 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3dyg n GLU 230 N -1.22 -4.09 -0.31 1.43 1.02 0.64 -4.89 120.64 113.21 3dyg n GLU 230 Ca 0.08 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 3dyg n GLU 230 Cb 0.33 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.76 3dyg n GLU 230 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dyg n ALA 231 N -4.22 1.66 -0.17 0.62 0.00 0.08 -4.93 120.51 113.55 3dyg n ALA 231 Ca -0.27 -0.86 -0.04 0.00 0.00 0.00 0.00 53.44 52.27 3dyg n ALA 231 Cb 0.67 -0.32 0.03 0.00 0.00 0.00 0.00 19.45 19.82 3dyg n ALA 231 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dyg h LEU 232 N 0.00 -0.76 0.00 0.00 5.85 -1.87 -0.94 115.31 117.59 3dyg h LEU 232 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3dyg h LEU 232 Cb 1.25 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.70 3dyg h LEU 232 CO 0.00 -0.24 0.00 -0.81 -0.34 0.00 0.00 178.44 177.05 3dyg n PRO 233 N -5.41 0.03 0.00 5.25 -0.04 -1.26 -3.12 135.00 130.44 3dyg n PRO 233 Ca 0.04 0.29 0.16 0.00 -0.04 0.00 0.00 63.50 63.95 3dyg n PRO 233 Cb 0.32 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.17 3dyg n PRO 233 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3dyg n THR 234 N -1.47 0.00 -4.41 0.52 -2.24 -0.36 -4.84 114.28 101.48 3dyg n THR 234 Ca 0.03 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 3dyg n THR 234 Cb 0.12 -0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 67.77 3dyg n THR 234 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dyg s VAL 235 N -2.13 2.32 -0.54 2.28 1.01 -1.18 -4.69 120.40 117.46 3dyg s VAL 235 Ca 0.43 -1.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.20 3dyg s VAL 235 Cb 0.22 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.54 3dyg s VAL 235 CO 0.39 -0.04 1.30 -0.62 0.00 0.00 0.00 175.10 176.13 3dyg s ASP 236 N -2.44 6.33 0.36 3.32 -1.08 -1.26 -4.87 116.67 117.03 3dyg s ASP 236 Ca 0.18 0.32 0.11 0.00 -0.52 0.00 0.00 52.55 52.64 3dyg s ASP 236 Cb -0.09 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.51 3dyg s ASP 236 CO 0.08 -1.54 1.82 -0.03 0.52 0.00 0.00 175.17 176.03 3dyg h MET 237 N 10.25 0.07 -0.72 4.34 1.85 -1.95 -1.47 114.93 127.31 3dyg h MET 237 Ca -0.26 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 58.74 3dyg h MET 237 Cb 1.08 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.07 3dyg h MET 237 CO 1.16 0.41 0.20 0.78 -0.40 0.00 0.00 176.91 179.06 3dyg h GLY 238 N 1.06 1.22 0.80 1.39 0.00 -2.00 -0.32 103.07 105.23 3dyg h GLY 238 Ca 0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.46 3dyg h GLY 238 CO 0.05 0.69 -0.47 -2.08 0.00 0.00 0.00 176.54 174.73 3dyg h VAL 239 N 1.08 1.40 -0.66 4.60 2.07 -1.92 -2.70 116.25 120.10 3dyg h VAL 239 Ca 0.23 -1.85 0.06 0.00 0.82 0.00 0.00 66.70 65.96 3dyg h VAL 239 Cb 0.34 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.38 3dyg h VAL 239 CO -0.00 0.54 0.36 0.74 0.02 0.00 0.00 177.57 179.24 3dyg h THR 240 N -0.01 0.96 -0.59 2.57 2.02 -1.11 0.30 112.91 117.04 3dyg h THR 240 Ca -0.04 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 3dyg h THR 240 Cb 1.13 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3dyg h THR 240 CO 0.10 0.12 0.02 -0.33 0.37 0.00 0.00 175.52 175.80 3dyg h GLU 241 N 0.67 1.01 0.09 6.66 5.08 -1.11 0.03 114.58 127.01 3dyg h GLU 241 Ca 0.30 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dyg h GLU 241 Cb 0.20 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3dyg h GLU 241 CO -0.19 0.97 -0.06 0.93 -1.00 0.00 0.00 179.01 179.67 3dyg h GLU 242 N 0.93 -0.14 -0.47 2.33 5.08 -1.00 -0.19 114.58 121.12 3dyg h GLU 242 Ca 0.17 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3dyg h GLU 242 Cb 0.51 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3dyg h GLU 242 CO 0.02 -0.09 0.20 -0.07 -1.00 0.00 0.00 179.01 178.07 3dyg h LEU 243 N -0.14 0.25 -0.73 1.33 3.38 -0.74 -1.04 115.31 117.61 3dyg h LEU 243 Ca -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3dyg h LEU 243 Cb 0.12 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3dyg h LEU 243 CO 0.01 0.18 0.31 0.00 0.09 0.00 0.00 178.44 179.02 3dyg h ALA 244 N 1.28 0.95 -0.32 1.53 0.00 -0.72 -0.62 119.26 121.36 3dyg h ALA 244 Ca 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3dyg h ALA 244 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dyg h ALA 244 CO -0.19 0.55 -0.02 0.52 0.00 0.00 0.00 179.25 180.11 3dyg h MET 245 N 1.04 0.59 0.27 0.00 2.86 -0.64 0.77 114.93 119.82 3dyg h MET 245 Ca 0.25 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3dyg h MET 245 Cb 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3dyg h MET 245 CO -0.02 0.74 -0.13 1.25 1.06 0.00 0.00 176.91 179.80 3dyg h LEU 246 N 0.38 -0.31 -1.57 1.22 5.85 -1.09 -1.38 115.31 118.42 3dyg h LEU 246 Ca 0.09 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3dyg h LEU 246 Cb 0.49 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3dyg h LEU 246 CO 0.02 -0.02 0.35 0.24 -0.34 0.00 0.00 178.44 178.70 3dyg h MET 247 N -0.62 0.54 -0.36 1.25 2.86 -1.12 -1.80 114.93 115.68 3dyg h MET 247 Ca -0.04 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3dyg h MET 247 Cb 0.44 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3dyg h MET 247 CO 0.06 0.35 -0.02 0.78 1.06 0.00 0.00 176.91 179.15 3dyg h GLY 248 N 0.55 0.70 0.88 8.32 0.00 -0.63 -1.50 103.07 111.39 3dyg h GLY 248 Ca 0.22 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3dyg h GLY 248 CO -0.06 0.49 -0.01 -2.09 0.00 0.00 0.00 176.54 174.86 3dyg h GLU 249 N 0.46 -0.03 -1.00 4.80 4.81 -0.77 -2.40 114.58 120.44 3dyg h GLU 249 Ca 0.10 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 3dyg h GLU 249 Cb 0.49 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 3dyg h GLU 249 CO 0.02 0.10 0.63 -0.92 -0.73 0.00 0.00 179.01 178.11 3dyg h TYR 250 N -0.16 1.12 -0.59 0.92 3.20 -1.30 -0.31 116.97 119.86 3dyg h TYR 250 Ca -0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3dyg h TYR 250 Cb 0.15 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3dyg h TYR 250 CO -0.03 0.42 0.18 0.35 -1.64 0.00 0.00 178.16 177.44 3dyg h PHE 251 N 0.95 0.95 -0.05 -3.82 3.57 -1.02 -1.32 116.94 116.21 3dyg h PHE 251 Ca 0.51 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.78 3dyg h PHE 251 Cb 0.55 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3dyg h PHE 251 CO -0.00 0.79 -0.55 0.37 -2.23 0.00 0.00 178.31 176.68 3dyg h GLN 252 N 0.83 0.14 -0.00 1.11 5.75 -0.75 -0.63 115.11 121.56 3dyg h GLN 252 Ca 0.19 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3dyg h GLN 252 Cb 0.29 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 3dyg h GLN 252 CO -0.01 0.66 0.00 0.28 -2.65 0.00 0.00 178.83 177.12 3dyg h VAL 253 N 0.11 1.12 -0.69 2.39 2.07 -0.84 0.20 116.25 120.62 3dyg h VAL 253 Ca -0.00 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3dyg h VAL 253 Cb 1.01 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3dyg h VAL 253 CO 0.08 0.09 0.38 1.56 0.02 0.00 0.00 177.57 179.70 3dyg h GLN 254 N -0.14 0.66 -0.81 1.57 4.20 -1.05 0.19 115.11 119.73 3dyg h GLN 254 Ca 0.00 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3dyg h GLN 254 Cb 0.15 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 3dyg h GLN 254 CO -0.00 0.44 0.52 0.22 -0.67 0.00 0.00 178.83 179.33 3dyg h ASP 255 N 0.68 0.85 -0.25 1.46 3.58 -0.51 0.00 116.42 122.23 3dyg h ASP 255 Ca 0.32 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 3dyg h ASP 255 Cb 0.24 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 3dyg h ASP 255 CO -0.21 0.58 -0.13 0.44 -2.88 0.00 0.00 179.24 177.04 3dyg h ASP 256 N 1.00 0.55 -0.30 2.28 3.32 0.61 -2.10 116.42 121.77 3dyg h ASP 256 Ca 0.33 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3dyg h ASP 256 Cb 0.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3dyg h ASP 256 CO -0.12 0.84 0.16 0.58 -1.72 0.00 0.00 179.24 178.98 3dyg h VAL 257 N 0.26 1.13 -0.57 -1.35 2.07 -0.26 -2.65 116.25 114.89 3dyg h VAL 257 Ca 0.06 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3dyg h VAL 257 Cb 0.64 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3dyg h VAL 257 CO 0.04 0.13 0.23 0.24 0.02 0.00 0.00 177.57 178.23 3dyg h MET 258 N 0.37 0.82 -0.90 1.57 2.86 -1.03 0.13 114.93 118.74 3dyg h MET 258 Ca 0.11 -0.12 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 3dyg h MET 258 Cb 0.07 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 3dyg h MET 258 CO -0.02 0.67 0.58 0.22 1.06 0.00 0.00 176.91 179.42 3dyg h ASP 259 N 0.81 0.74 0.09 1.22 3.58 -1.01 0.55 116.42 122.40 3dyg h ASP 259 Ca 0.19 0.04 -0.35 0.00 0.42 0.00 0.00 57.03 57.33 3dyg h ASP 259 Cb 0.15 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 3dyg h ASP 259 CO -0.02 0.40 -1.94 0.00 -2.88 0.00 0.00 179.24 174.80 3dyg n PHE 261 N -3.64 0.00 -3.16 0.00 3.72 0.38 -4.97 117.46 109.80 3dyg n PHE 261 Ca -0.34 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.67 3dyg n PHE 261 Cb 0.98 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 39.36 3dyg n PHE 261 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3dyg s THR 262 N -2.52 4.97 0.26 4.37 2.01 0.17 -5.01 115.64 119.89 3dyg s THR 262 Ca 0.02 1.29 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 3dyg s THR 262 Cb 0.10 -3.96 -0.11 0.00 0.01 0.00 0.00 72.50 68.54 3dyg s THR 262 CO 0.57 0.36 1.53 -2.84 -0.69 0.00 0.00 174.62 173.55 3dyg s PRO 263 N 0.18 4.19 0.49 4.92 0.02 -1.26 -4.81 135.00 138.74 3dyg s PRO 263 Ca 0.33 2.45 0.30 0.00 0.02 0.00 0.00 61.00 64.09 3dyg s PRO 263 Cb -0.18 -3.07 1.64 0.00 0.02 0.00 0.00 34.50 32.91 3dyg s PRO 263 CO 0.17 -0.55 1.91 -1.00 -0.33 0.00 0.00 177.00 177.20 3dyg h PRO 264 N 5.16 0.00 -0.50 5.54 0.13 -1.94 -0.90 132.00 139.49 3dyg h PRO 264 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3dyg h PRO 264 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3dyg h PRO 264 CO 0.80 0.00 0.28 0.93 -0.23 0.00 0.00 178.00 179.78 3dyg h GLU 265 N 0.00 0.69 0.00 0.86 3.07 -1.91 0.22 114.58 117.50 3dyg h GLU 265 Ca 0.00 -0.08 -0.24 0.00 -0.50 0.00 0.00 59.36 58.54 3dyg h GLU 265 Cb 0.16 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 3dyg h GLU 265 CO 0.00 0.53 -1.77 0.54 -1.40 0.00 0.00 179.01 176.91 3dyg n ARG 266 N -4.67 0.64 0.01 2.33 1.74 -0.66 -4.18 116.66 111.88 3dyg n ARG 266 Ca 0.02 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 3dyg n ARG 266 Cb 0.08 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.78 3dyg n ARG 266 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3dyg h LEU 267 N 0.00 0.71 0.00 0.55 5.85 -1.14 -3.47 115.31 117.81 3dyg h LEU 267 Ca -0.28 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3dyg h LEU 267 Cb 1.83 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.65 3dyg h LEU 267 CO 0.05 1.22 0.00 0.61 -0.34 0.00 0.00 178.44 179.98 3dyg n GLY 268 N 0.59 1.20 3.08 3.75 0.00 0.76 -4.69 105.19 109.88 3dyg n GLY 268 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3dyg n GLY 268 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dyg s LYS 269 N -0.39 0.23 -0.07 1.61 -2.85 -1.25 -0.46 119.74 116.57 3dyg s LYS 269 Ca 0.00 0.29 -0.26 0.00 -1.00 0.00 0.00 55.97 55.00 3dyg s LYS 269 Cb 0.00 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 3dyg s LYS 269 CO 0.00 -0.03 0.84 0.08 0.10 0.00 0.00 175.35 176.33 3dyg s VAL 270 N 0.16 4.94 0.42 1.79 1.01 -1.26 -4.60 120.40 122.86 3dyg s VAL 270 Ca -0.00 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.44 3dyg s VAL 270 Cb -0.02 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3dyg s VAL 270 CO -0.00 0.17 1.28 -0.83 0.00 0.00 0.00 175.10 175.71 3dyg s GLY 271 N 0.95 2.90 0.00 4.51 0.00 -1.26 -4.72 107.32 109.71 3dyg s GLY 271 Ca 0.43 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.33 3dyg s GLY 271 CO 0.20 1.74 0.44 -1.30 0.00 0.00 0.00 173.10 174.19 3dyg n THR 272 N -0.01 0.19 -0.16 0.90 -2.24 -1.26 -4.90 114.28 106.80 3dyg n THR 272 Ca 0.05 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 3dyg n THR 272 Cb 0.44 1.21 0.05 0.00 -2.10 0.00 0.00 70.33 69.93 3dyg n THR 272 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dyg h ASP 273 N 0.00 0.31 -0.03 3.42 3.32 -1.92 0.53 116.42 122.05 3dyg h ASP 273 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3dyg h ASP 273 Cb 0.59 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3dyg h ASP 273 CO 0.00 0.22 -0.04 0.40 -1.72 0.00 0.00 179.24 178.10 3dyg h ILE 274 N 0.45 1.41 -0.71 0.35 2.04 -1.90 0.30 117.51 119.45 3dyg h ILE 274 Ca 0.22 -1.27 0.12 0.00 1.00 0.00 0.00 64.86 64.92 3dyg h ILE 274 Cb 0.16 2.21 -0.08 0.00 -0.74 0.00 0.00 36.82 38.36 3dyg h ILE 274 CO -0.17 0.34 0.30 1.56 0.00 0.00 0.00 178.15 180.18 3dyg h GLN 275 N -0.43 0.47 -0.07 2.37 1.08 -1.73 0.17 115.11 116.98 3dyg h GLN 275 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3dyg h GLN 275 Cb 0.57 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3dyg h GLN 275 CO 0.01 0.31 0.00 -0.25 -0.95 0.00 0.00 178.83 177.95 3dyg n ASP 276 N -4.96 0.56 -3.98 1.46 8.00 0.18 -4.01 116.55 113.81 3dyg n ASP 276 Ca 0.12 -1.63 -0.30 0.00 0.71 0.00 0.00 54.79 53.68 3dyg n ASP 276 Cb 0.34 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.40 3dyg n ASP 276 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dyg n ALA 277 N -0.36 -1.44 -1.78 2.24 0.00 0.54 -4.91 120.51 114.80 3dyg n ALA 277 Ca 0.12 0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 3dyg n ALA 277 Cb 0.14 -3.61 -0.01 0.00 0.00 0.00 0.00 19.45 15.97 3dyg n ALA 277 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dyg s LYS 278 N -6.63 3.63 -1.34 0.00 -0.14 0.99 -4.56 119.74 111.68 3dyg s LYS 278 Ca 0.54 1.60 -0.12 0.00 -1.36 0.00 0.00 55.97 56.63 3dyg s LYS 278 Cb -0.28 -2.18 0.11 0.00 -1.68 0.00 0.00 37.83 33.80 3dyg s LYS 278 CO 0.86 -0.62 1.94 0.00 -0.76 0.00 0.00 175.35 176.77 3dyg s SER 280 N 2.28 4.32 0.19 0.00 1.04 -1.26 -4.86 113.70 115.40 3dyg s SER 280 Ca 0.44 0.53 -0.10 0.00 0.48 0.00 0.00 55.95 57.30 3dyg s SER 280 Cb 0.09 -0.97 0.10 0.00 0.10 0.00 0.00 66.02 65.34 3dyg s SER 280 CO -0.02 -1.98 1.72 -0.25 0.98 0.00 0.00 173.24 173.69 3dyg h TRP 281 N -1.01 1.08 -0.74 5.02 7.01 -1.92 -2.05 115.95 123.35 3dyg h TRP 281 Ca -0.45 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 60.40 3dyg h TRP 281 Cb 1.30 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 28.02 3dyg h TRP 281 CO 0.01 0.88 0.30 -0.07 -2.79 0.00 0.00 178.44 176.76 3dyg h LEU 282 N 0.98 1.01 -0.11 0.65 3.38 -1.94 -0.67 115.31 118.62 3dyg h LEU 282 Ca 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dyg h LEU 282 Cb 0.31 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dyg h LEU 282 CO -0.00 0.91 0.02 0.00 0.09 0.00 0.00 178.44 179.45 3dyg h ALA 283 N 1.15 0.14 -0.30 1.53 0.00 -1.84 0.08 119.26 120.01 3dyg h ALA 283 Ca 0.25 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3dyg h ALA 283 Cb 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dyg h ALA 283 CO -0.02 -0.20 -0.33 -0.39 0.00 0.00 0.00 179.25 178.31 3dyg h VAL 284 N -0.06 1.30 -0.68 0.00 -1.51 -1.33 -1.21 116.25 112.75 3dyg h VAL 284 Ca 0.03 -1.50 -0.06 0.00 -1.23 0.00 0.00 66.70 63.94 3dyg h VAL 284 Cb 0.30 1.56 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 3dyg h VAL 284 CO 0.00 0.48 0.18 0.74 -1.23 0.00 0.00 177.57 177.75 3dyg h THR 285 N 0.51 1.25 0.38 7.19 2.02 -1.13 -1.74 112.91 121.39 3dyg h THR 285 Ca 0.04 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 3dyg h THR 285 Cb 0.91 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3dyg h THR 285 CO 0.08 0.35 -0.18 0.15 0.37 0.00 0.00 175.52 176.29 3dyg h PHE 286 N 1.01 -0.48 -0.18 3.16 3.57 -0.92 -3.11 116.94 120.00 3dyg h PHE 286 Ca 0.22 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.76 3dyg h PHE 286 Cb 0.33 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3dyg h PHE 286 CO 0.02 -0.17 0.14 -0.07 -2.23 0.00 0.00 178.31 176.01 3dyg h LEU 287 N -0.77 0.00 -0.78 0.59 3.38 -1.13 0.18 115.31 116.78 3dyg h LEU 287 Ca -0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3dyg h LEU 287 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dyg h LEU 287 CO 0.09 0.00 -0.45 0.00 0.09 0.00 0.00 178.44 178.17 3dyg h ALA 288 N 1.89 0.94 0.00 1.53 0.00 -1.27 -3.28 119.26 119.07 3dyg h ALA 288 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3dyg h ALA 288 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3dyg h ALA 288 CO -0.00 0.56 -0.51 0.36 0.00 0.00 0.00 179.25 179.66 3dyg n LYS 289 N -3.54 3.53 -1.94 0.00 2.85 -0.78 -5.04 118.16 113.24 3dyg n LYS 289 Ca -0.00 -0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 3dyg n LYS 289 Cb 0.56 -0.99 0.02 0.00 -0.65 0.00 0.00 35.03 33.97 3dyg n LYS 289 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dyg s ALA 290 N -1.98 3.01 0.97 0.58 0.00 0.58 -5.03 121.76 119.87 3dyg s ALA 290 Ca 0.04 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 3dyg s ALA 290 Cb 0.08 -3.51 0.21 0.00 0.00 0.00 0.00 23.12 19.89 3dyg s ALA 290 CO 0.42 -1.08 1.33 -1.54 0.00 0.00 0.00 175.76 174.89 3dyg s SER 291 N -0.93 3.02 0.28 0.00 1.04 -1.26 -4.82 113.70 111.04 3dyg s SER 291 Ca 0.65 0.25 0.01 0.00 0.48 0.00 0.00 55.95 57.34 3dyg s SER 291 Cb -0.38 -0.28 0.41 0.00 0.10 0.00 0.00 66.02 65.88 3dyg s SER 291 CO 0.46 -2.79 1.77 0.28 0.98 0.00 0.00 173.24 173.94 3dyg h SER 292 N -1.68 0.61 -0.09 7.02 0.02 -1.99 -1.93 113.55 115.50 3dyg h SER 292 Ca -0.44 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.32 3dyg h SER 292 Cb 1.23 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 3dyg h SER 292 CO 0.37 0.74 -0.05 0.00 -1.14 0.00 0.00 176.83 176.75 3dyg h ALA 293 N 1.32 0.12 -0.74 3.77 0.00 -2.00 -2.46 119.26 119.27 3dyg h ALA 293 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3dyg h ALA 293 Cb 0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3dyg h ALA 293 CO 0.03 -0.10 0.48 1.96 0.00 0.00 0.00 179.25 181.62 3dyg h GLN 294 N -0.20 0.92 -0.79 0.00 4.20 -1.91 -2.18 115.11 115.16 3dyg h GLN 294 Ca 0.02 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3dyg h GLN 294 Cb 0.52 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3dyg h GLN 294 CO 0.01 0.61 0.31 0.28 -0.67 0.00 0.00 178.83 179.38 3dyg h VAL 295 N 0.95 1.26 -0.06 -0.54 2.07 -1.34 -1.04 116.25 117.56 3dyg h VAL 295 Ca 0.29 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3dyg h VAL 295 Cb -0.04 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3dyg h VAL 295 CO -0.09 0.34 0.03 0.00 0.02 0.00 0.00 177.57 177.88 3dyg h ALA 296 N 1.17 0.08 -0.40 1.67 0.00 -0.94 -0.80 119.26 120.03 3dyg h ALA 296 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3dyg h ALA 296 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dyg h ALA 296 CO -0.02 -0.38 0.07 1.49 0.00 0.00 0.00 179.25 180.41 3dyg h GLU 297 N 0.01 0.60 0.67 0.00 4.81 -1.29 -2.56 114.58 116.82 3dyg h GLU 297 Ca 0.02 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3dyg h GLU 297 Cb 0.08 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.37 3dyg h GLU 297 CO -0.00 0.58 -0.32 0.35 -0.73 0.00 0.00 179.01 178.88 3dyg h PHE 298 N 0.59 -0.84 -1.49 0.92 3.57 -0.83 -2.87 116.94 116.00 3dyg h PHE 298 Ca 0.13 -0.02 0.43 0.00 3.53 0.00 0.00 57.97 62.04 3dyg h PHE 298 Cb 0.27 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 3dyg h PHE 298 CO 0.01 -0.52 1.08 0.87 -2.23 0.00 0.00 178.31 177.52 3dyg h LYS 299 N -0.93 0.00 -0.10 1.11 1.57 -0.96 0.32 116.57 117.58 3dyg h LYS 299 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dyg h LYS 299 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3dyg h LYS 299 CO 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 3dyg n ALA 300 N -2.82 2.53 0.00 3.86 0.00 -0.98 -4.33 120.51 118.78 3dyg n ALA 300 Ca 0.33 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3dyg n ALA 300 Cb 1.55 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3dyg n ALA 300 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dyg n ASN 301 N 0.47 2.72 -4.76 0.00 3.02 0.10 -5.06 115.26 111.76 3dyg n ASN 301 Ca 0.17 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.33 3dyg n ASN 301 Cb 0.40 0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 40.03 3dyg n ASN 301 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dyg s TYR 302 N -1.14 3.69 0.00 3.10 5.04 -0.54 -3.96 117.35 123.53 3dyg s TYR 302 Ca 0.00 1.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.40 3dyg s TYR 302 Cb 0.00 -3.14 0.00 0.00 0.35 0.00 0.00 41.96 39.17 3dyg s TYR 302 CO 0.00 -0.18 0.00 0.41 -1.34 0.00 0.00 175.55 174.44 3dyg n GLY 303 N 1.15 0.56 3.19 8.97 0.00 -0.75 -4.95 105.19 113.36 3dyg n GLY 303 Ca -0.01 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 3dyg n GLY 303 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dyg s SER 304 N -2.85 1.94 0.44 1.61 0.15 -1.25 -4.80 113.70 108.94 3dyg s SER 304 Ca 0.00 -0.54 0.23 0.00 0.70 0.00 0.00 55.95 56.34 3dyg s SER 304 Cb 0.00 -0.12 0.42 0.00 -1.71 0.00 0.00 66.02 64.62 3dyg s SER 304 CO 0.00 0.03 1.63 1.23 1.20 0.00 0.00 173.24 177.34 3dyg h GLY 305 N 4.64 0.00 -6.18 9.45 0.00 -1.93 -3.40 103.07 105.65 3dyg h GLY 305 Ca -0.41 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.19 3dyg h GLY 305 CO 0.42 0.00 0.81 1.34 0.00 0.00 0.00 176.54 179.11 3dyg n ASP 306 N -3.11 2.21 -0.06 0.19 -0.08 -1.26 -4.88 116.55 109.56 3dyg n ASP 306 Ca 0.03 1.09 0.07 0.00 -1.51 0.00 0.00 54.79 54.47 3dyg n ASP 306 Cb 0.52 -1.14 0.44 0.00 2.34 0.00 0.00 41.12 43.28 3dyg n ASP 306 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3dyg h SER 307 N 6.65 0.47 0.47 1.67 0.87 -2.00 -2.43 113.55 119.25 3dyg h SER 307 Ca -0.47 -0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.85 3dyg h SER 307 Cb 1.32 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3dyg h SER 307 CO 0.93 0.31 -1.07 -0.33 -0.53 0.00 0.00 176.83 176.14 3dyg h GLU 308 N 0.54 0.34 0.00 2.24 5.08 -1.98 -2.52 114.58 118.27 3dyg h GLU 308 Ca 0.23 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3dyg h GLU 308 Cb 0.22 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3dyg h GLU 308 CO -0.06 1.15 -0.24 0.87 -1.00 0.00 0.00 179.01 179.73 3dyg h LYS 309 N 0.16 0.00 0.08 2.33 1.57 -1.83 -0.92 116.57 117.95 3dyg h LYS 309 Ca -0.10 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.43 3dyg h LYS 309 Cb 1.75 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.05 3dyg h LYS 309 CO 0.18 0.24 -1.12 0.28 -0.57 0.00 0.00 179.45 178.46 3dyg h VAL 310 N 0.00 1.51 0.00 0.50 2.07 -1.39 -2.78 116.25 116.17 3dyg h VAL 310 Ca -0.00 -2.96 -0.01 0.00 0.82 0.00 0.00 66.70 64.54 3dyg h VAL 310 Cb 0.69 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3dyg h VAL 310 CO 0.03 0.86 -0.06 0.00 0.02 0.00 0.00 177.57 178.42 3dyg h ALA 311 N 0.71 0.96 0.06 1.67 0.00 -1.04 -2.38 119.26 119.24 3dyg h ALA 311 Ca -0.10 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 3dyg h ALA 311 Cb 1.83 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.63 3dyg h ALA 311 CO 0.18 0.08 -1.14 1.15 0.00 0.00 0.00 179.25 179.51 3dyg h THR 312 N 0.00 1.28 -0.43 0.00 2.02 -1.17 -0.43 112.91 114.18 3dyg h THR 312 Ca -0.00 -2.34 -0.10 0.00 0.77 0.00 0.00 66.41 64.74 3dyg h THR 312 Cb 1.00 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.92 3dyg h THR 312 CO 0.01 0.72 -0.13 0.58 0.37 0.00 0.00 175.52 177.07 3dyg h VAL 313 N 0.34 1.26 -0.63 3.16 2.07 -1.47 -0.81 116.25 120.17 3dyg h VAL 313 Ca -0.16 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 3dyg h VAL 313 Cb 1.81 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3dyg h VAL 313 CO 0.22 0.41 0.03 -0.09 0.02 0.00 0.00 177.57 178.16 3dyg h ARG 314 N 0.70 1.10 -0.23 1.57 2.43 -1.37 -2.53 114.38 116.05 3dyg h ARG 314 Ca 0.12 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 3dyg h ARG 314 Cb 0.61 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3dyg h ARG 314 CO 0.04 1.05 -0.06 -0.09 -1.51 0.00 0.00 179.97 179.39 3dyg h ARG 315 N 1.01 0.44 -0.08 0.20 2.43 -0.70 -2.52 114.38 115.16 3dyg h ARG 315 Ca 0.18 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3dyg h ARG 315 Cb 0.53 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 3dyg h ARG 315 CO 0.03 0.69 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.57 3dyg h LEU 316 N 0.17 -1.67 -0.81 3.80 3.38 -1.02 0.41 115.31 119.56 3dyg h LEU 316 Ca 0.06 0.20 0.20 0.00 0.09 0.00 0.00 57.88 58.42 3dyg h LEU 316 Cb 0.53 0.65 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 3dyg h LEU 316 CO 0.02 -0.50 0.15 1.88 0.09 0.00 0.00 178.44 180.08 3dyg h TYR 317 N -0.61 0.20 -0.81 1.13 0.05 -1.45 0.51 116.97 115.99 3dyg h TYR 317 Ca 0.03 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 3dyg h TYR 317 Cb 0.70 0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.44 3dyg h TYR 317 CO -0.55 -0.19 0.50 1.49 -1.05 0.00 0.00 178.16 178.36 3dyg h GLU 318 N 0.19 1.08 -0.07 4.88 4.81 -0.57 -2.25 114.58 122.65 3dyg h GLU 318 Ca 0.48 -0.09 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 3dyg h GLU 318 Cb 0.90 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3dyg h GLU 318 CO -0.63 0.75 -0.76 0.93 -0.73 0.00 0.00 179.01 178.57 3dyg h GLU 319 N 1.10 0.41 -0.34 1.92 5.08 0.41 -2.96 114.58 120.21 3dyg h GLU 319 Ca 0.29 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3dyg h GLU 319 Cb -0.07 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3dyg h GLU 319 CO -0.06 1.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.95 3dyg n ALA 320 N -2.52 2.42 -3.89 3.43 0.00 1.00 -4.87 120.51 116.08 3dyg n ALA 320 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 3dyg n ALA 320 Cb 0.73 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.20 3dyg n ALA 320 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dyg n ASP 321 N -0.31 -3.46 0.24 0.00 2.03 -1.12 -4.87 116.55 109.06 3dyg n ASP 321 Ca 0.00 -0.82 0.09 0.00 0.52 0.00 0.00 54.79 54.57 3dyg n ASP 321 Cb 0.08 -3.77 0.61 0.00 -0.72 0.00 0.00 41.12 37.32 3dyg n ASP 321 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3dyg h LEU 322 N -1.97 0.00 -1.11 -2.67 -0.00 -1.65 -0.91 115.31 107.00 3dyg h LEU 322 Ca -0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.21 3dyg h LEU 322 Cb 1.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.02 3dyg h LEU 322 CO 0.65 0.15 -0.21 1.56 -0.00 0.00 0.00 178.44 180.59 3dyg h GLN 323 N 0.00 0.37 -0.17 1.13 1.08 -1.90 0.54 115.11 116.16 3dyg h GLN 323 Ca -0.00 -0.12 -0.19 0.00 -1.45 0.00 0.00 58.65 56.89 3dyg h GLN 323 Cb 0.32 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3dyg h GLN 323 CO 0.02 0.57 -0.65 0.78 -0.95 0.00 0.00 178.83 178.60 3dyg h GLY 324 N 0.96 0.69 1.19 3.46 0.00 -1.57 -2.79 103.07 105.01 3dyg h GLY 324 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.41 3dyg h GLY 324 CO 0.04 0.79 0.00 -0.55 0.00 0.00 0.00 176.54 176.83 3dyg h ASP 325 N 0.46 0.95 -0.40 0.19 3.32 -0.60 -2.65 116.42 117.70 3dyg h ASP 325 Ca -0.01 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 3dyg h ASP 325 Cb 1.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3dyg h ASP 325 CO 0.13 1.00 0.24 0.22 -1.72 0.00 0.00 179.24 179.11 3dyg h TYR 326 N 0.90 0.52 -0.63 4.55 3.20 -0.85 -1.46 116.97 123.19 3dyg h TYR 326 Ca 0.17 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.09 3dyg h TYR 326 Cb 0.52 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 3dyg h TYR 326 CO 0.03 0.36 0.36 0.28 -1.64 0.00 0.00 178.16 177.55 3dyg h VAL 327 N 0.52 1.00 -0.14 1.81 2.07 -1.31 0.91 116.25 121.11 3dyg h VAL 327 Ca 0.14 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3dyg h VAL 327 Cb -0.01 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3dyg h VAL 327 CO -0.03 0.12 0.08 0.00 0.02 0.00 0.00 177.57 177.76 3dyg h ALA 328 N 1.32 0.18 -0.11 1.67 0.00 -1.16 -2.20 119.26 118.96 3dyg h ALA 328 Ca 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dyg h ALA 328 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dyg h ALA 328 CO -0.16 -0.28 0.03 -0.92 0.00 0.00 0.00 179.25 177.92 3dyg h TYR 329 N 0.13 0.05 -0.93 0.00 3.20 -0.80 -2.04 116.97 116.58 3dyg h TYR 329 Ca 0.05 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.04 3dyg h TYR 329 Cb 0.07 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.26 3dyg h TYR 329 CO -0.04 0.02 0.60 1.49 -1.64 0.00 0.00 178.16 178.59 3dyg h GLU 330 N 0.08 0.85 -0.18 1.82 4.81 -0.73 -0.07 114.58 121.16 3dyg h GLU 330 Ca 0.05 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 3dyg h GLU 330 Cb 0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3dyg h GLU 330 CO -0.06 0.56 -0.56 0.00 -0.73 0.00 0.00 179.01 178.22 3dyg h ALA 331 N 1.56 0.69 -0.30 2.92 0.00 -1.04 -1.42 119.26 121.66 3dyg h ALA 331 Ca 0.45 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3dyg h ALA 331 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dyg h ALA 331 CO -0.22 0.69 -0.34 0.00 0.00 0.00 0.00 179.25 179.39 3dyg h ALA 332 N 0.96 0.84 0.06 0.00 0.00 -0.48 -2.52 119.26 118.12 3dyg h ALA 332 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dyg h ALA 332 Cb 1.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3dyg h ALA 332 CO 0.11 0.64 -0.03 0.28 0.00 0.00 0.00 179.25 180.25 3dyg h VAL 333 N 0.56 1.14 -0.84 0.00 2.07 -0.96 -2.75 116.25 115.48 3dyg h VAL 333 Ca 0.06 -0.69 0.16 0.00 0.82 0.00 0.00 66.70 67.05 3dyg h VAL 333 Cb 0.85 1.60 -0.10 0.00 -1.52 0.00 0.00 31.29 32.11 3dyg h VAL 333 CO 0.07 0.17 0.40 0.00 0.02 0.00 0.00 177.57 178.23 3dyg h ALA 334 N 0.53 1.26 -0.26 1.67 0.00 -1.19 0.80 119.26 122.06 3dyg h ALA 334 Ca -0.01 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3dyg h ALA 334 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3dyg h ALA 334 CO 0.01 -0.17 -0.42 1.49 0.00 0.00 0.00 179.25 180.17 3dyg h GLU 335 N 0.54 0.64 -0.12 0.00 4.57 -1.42 -1.75 114.58 117.04 3dyg h GLU 335 Ca 0.47 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3dyg h GLU 335 Cb 0.73 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 3dyg h GLU 335 CO -0.40 0.94 -0.04 1.96 -1.18 0.00 0.00 179.01 180.28 3dyg h GLN 336 N 0.52 0.23 -0.40 1.92 4.20 -0.92 -1.77 115.11 118.90 3dyg h GLN 336 Ca 0.04 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 58.74 3dyg h GLN 336 Cb 0.94 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.63 3dyg h GLN 336 CO 0.09 0.56 -0.14 0.28 -0.67 0.00 0.00 178.83 178.94 3dyg h VAL 337 N -0.10 0.52 -0.22 -0.54 2.07 -0.87 0.59 116.25 117.70 3dyg h VAL 337 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 3dyg h VAL 337 Cb 0.48 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3dyg h VAL 337 CO 0.01 0.00 -0.11 0.11 0.02 0.00 0.00 177.57 177.61 3dyg h LYS 338 N -0.06 -0.08 0.00 1.57 1.57 -1.18 0.28 116.57 118.67 3dyg h LYS 338 Ca 0.19 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3dyg h LYS 338 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3dyg h LYS 338 CO -0.44 -0.05 -0.22 0.93 -0.57 0.00 0.00 179.45 179.09 3dyg h GLU 339 N -0.08 0.00 0.05 3.15 5.08 -0.70 -1.69 114.58 120.39 3dyg h GLU 339 Ca 0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 3dyg h GLU 339 Cb 0.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.54 3dyg h GLU 339 CO -0.27 0.22 -1.07 -0.07 -1.00 0.00 0.00 179.01 176.82 3dyg h LEU 340 N 0.00 0.85 -1.13 1.33 4.07 0.23 -2.72 115.31 117.95 3dyg h LEU 340 Ca -0.00 -0.78 -0.08 0.00 0.08 0.00 0.00 57.88 57.10 3dyg h LEU 340 Cb 0.41 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3dyg h LEU 340 CO 0.03 1.53 -0.20 0.40 -1.08 0.00 0.00 178.44 179.12 3dyg h ILE 341 N 0.28 1.24 -0.23 1.22 2.04 -0.28 -1.03 117.51 120.74 3dyg h ILE 341 Ca -0.15 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 3dyg h ILE 341 Cb 1.74 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3dyg h ILE 341 CO 0.21 0.34 -0.31 -0.33 0.00 0.00 0.00 178.15 178.06 3dyg h GLU 342 N 0.33 0.48 -0.42 2.37 4.39 -1.33 0.00 114.58 120.41 3dyg h GLU 342 Ca 0.06 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 3dyg h GLU 342 Cb 0.55 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3dyg h GLU 342 CO 0.04 0.74 -0.09 0.87 -1.16 0.00 0.00 179.01 179.40 3dyg h LYS 343 N 0.41 0.80 -0.26 2.33 1.57 -1.06 -2.97 116.57 117.39 3dyg h LYS 343 Ca 0.05 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3dyg h LYS 343 Cb 0.75 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3dyg h LYS 343 CO 0.06 0.92 0.14 -0.07 -0.57 0.00 0.00 179.45 179.93 3dyg h LEU 344 N 0.62 0.23 -1.97 2.94 3.38 -0.87 -2.98 115.31 116.67 3dyg h LEU 344 Ca 0.11 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.23 3dyg h LEU 344 Cb 0.62 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3dyg h LEU 344 CO 0.04 0.17 0.38 -0.09 0.09 0.00 0.00 178.44 179.04 3dyg h ARG 345 N 0.30 0.03 0.00 1.13 2.43 -0.85 0.18 114.38 117.60 3dyg h ARG 345 Ca 0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3dyg h ARG 345 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3dyg h ARG 345 CO -0.05 0.02 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.30 3dyg h LEU 346 N 0.03 0.00 0.00 3.80 3.38 -1.40 -3.17 115.31 117.96 3dyg h LEU 346 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dyg h LEU 346 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3dyg h LEU 346 CO -0.01 0.06 -0.49 0.00 0.09 0.00 0.00 178.44 178.09 3dyg n SER 348 N -1.07 0.30 -0.22 0.00 7.64 -0.01 -4.95 113.62 115.31 3dyg n SER 348 Ca 0.00 -2.69 -0.04 0.00 1.01 0.00 0.00 58.87 57.15 3dyg n SER 348 Cb 0.00 -0.63 0.07 0.00 -1.01 0.00 0.00 64.21 62.64 3dyg n SER 348 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3dyg h PRO 349 N 4.23 0.72 -0.23 1.43 0.13 -1.77 0.95 132.00 137.46 3dyg h PRO 349 Ca 0.10 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3dyg h PRO 349 Cb 0.87 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3dyg h PRO 349 CO 0.47 0.47 0.05 0.78 -0.23 0.00 0.00 178.00 179.54 3dyg h GLY 350 N 0.74 0.39 0.91 1.56 0.00 -1.91 -2.47 103.07 102.29 3dyg h GLY 350 Ca 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3dyg h GLY 350 CO -0.12 0.23 0.11 -2.75 0.00 0.00 0.00 176.54 174.01 3dyg h PHE 351 N 0.18 0.38 -0.44 5.60 3.57 -1.77 -2.76 116.94 121.70 3dyg h PHE 351 Ca 0.07 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.64 3dyg h PHE 351 Cb 0.29 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3dyg h PHE 351 CO 0.01 0.38 0.30 0.00 -2.23 0.00 0.00 178.31 176.78 3dyg h ALA 352 N 0.96 2.16 -0.05 2.41 0.00 -0.77 -0.83 119.26 123.13 3dyg h ALA 352 Ca 0.09 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3dyg h ALA 352 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dyg h ALA 352 CO -0.01 -0.26 -0.72 0.00 0.00 0.00 0.00 179.25 178.26 3dyg h ALA 353 N 1.78 0.68 -0.06 0.00 0.00 -1.17 -1.53 119.26 118.96 3dyg h ALA 353 Ca 0.20 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3dyg h ALA 353 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3dyg h ALA 353 CO -0.03 0.79 -0.57 0.66 0.00 0.00 0.00 179.25 180.10 3dyg h SER 354 N 0.19 0.22 -0.43 0.00 4.64 -0.97 -2.39 113.55 114.80 3dyg h SER 354 Ca -0.02 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 3dyg h SER 354 Cb 1.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3dyg h SER 354 CO 0.11 0.74 -0.15 0.58 -0.87 0.00 0.00 176.83 177.24 3dyg h VAL 355 N 0.15 1.27 -0.97 0.95 2.07 -1.06 -2.43 116.25 116.24 3dyg h VAL 355 Ca -0.00 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.29 3dyg h VAL 355 Cb 1.04 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 3dyg h VAL 355 CO 0.09 0.43 0.62 -0.33 0.02 0.00 0.00 177.57 178.40 3dyg h GLU 356 N 0.70 1.13 -0.23 1.57 5.08 -1.05 -0.02 114.58 121.76 3dyg h GLU 356 Ca 0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3dyg h GLU 356 Cb 0.70 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3dyg h GLU 356 CO 0.05 0.75 0.11 1.15 -1.00 0.00 0.00 179.01 180.08 3dyg h THR 357 N 1.17 1.14 -0.89 1.13 2.02 -1.20 0.16 112.91 116.44 3dyg h THR 357 Ca 0.40 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 67.21 3dyg h THR 357 Cb 0.09 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3dyg h THR 357 CO -0.15 0.14 0.59 0.25 0.37 0.00 0.00 175.52 176.71 3dyg h LEU 358 N 0.25 1.00 -0.69 2.58 6.46 -0.92 -0.83 115.31 123.15 3dyg h LEU 358 Ca 0.08 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3dyg h LEU 358 Cb 0.11 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 3dyg h LEU 358 CO -0.01 0.71 0.33 -0.25 -0.62 0.00 0.00 178.44 178.60 3dyg h TRP 359 N 1.17 1.00 -0.09 1.25 -0.00 -0.52 -1.59 115.95 117.18 3dyg h TRP 359 Ca 0.34 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 59.21 3dyg h TRP 359 Cb -0.08 -0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 28.77 3dyg h TRP 359 CO -0.01 0.74 0.08 0.78 -0.00 0.00 0.00 178.44 180.03 3dyg h GLY 360 N 0.97 0.00 1.18 2.65 0.00 0.70 0.23 103.07 108.79 3dyg h GLY 360 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3dyg h GLY 360 CO -0.03 0.00 -0.27 0.28 0.00 0.00 0.00 176.54 176.52 3dyg n LYS 361 N -4.16 0.21 -0.10 4.80 5.02 -0.64 -4.31 118.16 118.98 3dyg n LYS 361 Ca -0.01 -0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 3dyg n LYS 361 Cb 0.19 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 3dyg n LYS 361 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dyg n THR 362 N -1.32 1.15 -1.62 -0.18 -1.04 0.29 -4.69 114.28 106.87 3dyg n THR 362 Ca 0.08 -0.25 -0.53 0.00 -2.04 0.00 0.00 64.05 61.31 3dyg n THR 362 Cb 0.33 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 3dyg n THR 362 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dyg n TYR 363 N -3.94 2.01 -3.52 -1.42 9.36 0.56 -1.19 117.16 119.01 3dyg n TYR 363 Ca -0.38 0.28 -0.26 0.00 3.32 0.00 0.00 57.90 60.86 3dyg n TYR 363 Cb 0.76 -2.55 0.03 0.00 -0.63 0.00 0.00 39.34 36.95 3dyg n TYR 363 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3dyg n LYS 364 N 6.67 -5.19 -1.49 2.98 5.02 -1.26 -4.93 118.16 119.96 3dyg n LYS 364 Ca 0.30 0.68 -0.36 0.00 -2.02 0.00 0.00 58.31 56.91 3dyg n LYS 364 Cb 0.21 -5.54 0.09 0.00 -0.02 0.00 0.00 35.03 29.77 3dyg n LYS 364 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3dyg s ARG 365 N -6.21 2.18 0.00 1.97 1.70 -0.34 -4.91 118.95 113.34 3dyg s ARG 365 Ca 0.51 1.95 0.18 0.00 -0.47 0.00 0.00 55.73 57.89 3dyg s ARG 365 Cb -0.25 -1.82 0.16 0.00 -0.57 0.00 0.00 34.95 32.48 3dyg s ARG 365 CO 0.62 -1.85 1.09 1.04 -1.08 0.00 0.00 175.30 175.12 3dyg n GLN 366 N -2.47 1.59 0.00 3.89 1.13 -1.26 -5.12 117.38 115.14 3dyg n GLN 366 Ca 0.15 -1.62 0.00 0.00 -1.94 0.00 0.00 57.00 53.59 3dyg n GLN 366 Cb 0.49 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.49 3dyg n GLN 366 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79