#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnu h MET 1 N 0.00 0.50 -0.91 4.33 1.85 -2.01 -1.88 114.93 116.81 2nnu h MET 1 Ca 0.00 -0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.08 2nnu h MET 1 Cb 0.00 -0.11 -0.05 0.00 0.43 0.00 0.00 31.60 31.87 2nnu h MET 1 CO 0.00 0.33 0.60 0.93 -0.40 0.00 0.00 176.91 178.37 2nnu h GLU 2 N 0.51 1.16 -0.36 0.39 5.08 -2.05 0.13 114.58 119.44 2nnu h GLU 2 Ca 0.49 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.68 2nnu h GLU 2 Cb 0.81 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2nnu h GLU 2 CO -0.43 0.77 -0.19 1.15 -1.00 0.00 0.00 179.01 179.30 2nnu h THR 3 N 1.20 1.29 -0.97 1.13 2.02 -1.84 -2.39 112.91 113.35 2nnu h THR 3 Ca 0.34 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.21 2nnu h THR 3 Cb -0.09 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2nnu h THR 3 CO -0.09 0.44 0.64 -0.07 0.37 0.00 0.00 175.52 176.80 2nnu h LEU 4 N 0.56 1.12 -0.44 2.58 3.38 -0.88 -1.66 115.31 119.97 2nnu h LEU 4 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2nnu h LEU 4 Cb 0.74 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2nnu h LEU 4 CO 0.06 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.64 2nnu h GLN 6 N 0.57 1.05 -0.31 0.00 4.20 -1.12 -1.38 115.11 118.12 2nnu h GLN 6 Ca 0.15 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 2nnu h GLN 6 Cb 0.05 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2nnu h GLN 6 CO -0.02 0.95 -0.35 0.00 -0.67 0.00 0.00 178.83 178.73 2nnu h ARG 7 N 0.97 0.79 -0.70 1.46 3.08 -1.15 -2.83 114.38 116.00 2nnu h ARG 7 Ca 0.20 -0.43 0.04 0.00 0.07 0.00 0.00 59.98 59.86 2nnu h ARG 7 Cb 0.38 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 2nnu h ARG 7 CO 0.01 1.06 0.42 1.25 -1.07 0.00 0.00 179.97 181.64 2nnu h LEU 8 N 0.55 0.68 -0.17 3.04 5.85 -0.73 -1.20 115.31 123.32 2nnu h LEU 8 Ca 0.04 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2nnu h LEU 8 Cb 0.94 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2nnu h LEU 8 CO 0.09 0.46 -0.09 0.78 -0.34 0.00 0.00 178.44 179.33 2nnu h ASN 9 N 0.81 -0.31 -0.49 1.25 2.35 -1.08 0.12 115.58 118.23 2nnu h ASN 9 Ca 0.29 0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 2nnu h ASN 9 Cb 0.08 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2nnu h ASN 9 CO -0.13 -0.12 -0.01 0.58 -1.65 0.00 0.00 177.43 176.10 2nnu h VAL 10 N -0.08 1.26 -0.04 2.81 2.07 -1.33 -0.67 116.25 120.26 2nnu h VAL 10 Ca 0.10 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2nnu h VAL 10 Cb 0.23 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2nnu h VAL 10 CO -0.22 0.38 -0.04 0.00 0.02 0.00 0.00 177.57 177.70 2nnu h GLN 12 N -0.06 1.00 -0.66 0.00 4.20 -0.66 -1.85 115.11 117.08 2nnu h GLN 12 Ca 0.03 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.57 2nnu h GLN 12 Cb 0.11 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2nnu h GLN 12 CO -0.08 0.84 0.43 -0.44 -0.67 0.00 0.00 178.83 178.91 2nnu h ASP 13 N 0.97 0.73 -0.58 1.46 5.19 -0.68 -0.21 116.42 123.31 2nnu h ASP 13 Ca 0.22 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.54 2nnu h ASP 13 Cb 0.24 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2nnu h ASP 13 CO -0.01 0.52 0.07 0.50 -3.12 0.00 0.00 179.24 177.20 2nnu h LYS 14 N 0.87 0.98 -0.35 3.56 3.11 -0.73 -1.34 116.57 122.66 2nnu h LYS 14 Ca 0.25 -0.28 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 2nnu h LYS 14 Cb -0.07 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.04 2nnu h LYS 14 CO -0.07 0.94 0.17 0.82 -2.81 0.00 0.00 179.45 178.51 2nnu h ILE 15 N 0.88 1.16 -0.70 2.00 2.04 -1.11 -1.70 117.51 120.08 2nnu h ILE 15 Ca 0.17 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2nnu h ILE 15 Cb 0.46 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2nnu h ILE 15 CO 0.02 0.17 0.46 0.25 0.00 0.00 0.00 178.15 179.05 2nnu h LEU 16 N 0.43 0.79 -0.63 1.44 5.85 -0.81 -1.43 115.31 120.94 2nnu h LEU 16 Ca 0.12 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2nnu h LEU 16 Cb 0.12 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2nnu h LEU 16 CO -0.02 0.56 0.32 0.74 -0.34 0.00 0.00 178.44 179.70 2nnu h THR 17 N 0.93 0.90 -0.59 1.05 2.02 -1.01 -0.67 112.91 115.53 2nnu h THR 17 Ca 0.26 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.27 2nnu h THR 17 Cb -0.08 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 2nnu h THR 17 CO -0.07 0.10 0.37 0.45 0.37 0.00 0.00 175.52 176.74 2nnu h HIS 18 N 0.57 0.69 -0.65 3.16 3.86 -0.59 -0.29 115.15 121.89 2nnu h HIS 18 Ca 0.30 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.56 2nnu h HIS 18 Cb 0.26 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 2nnu h HIS 18 CO -0.11 0.40 0.40 1.88 0.86 0.00 0.00 177.93 181.35 2nnu h TYR 19 N 0.72 0.74 -0.22 2.45 0.05 -0.59 -2.26 116.97 117.86 2nnu h TYR 19 Ca 0.24 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.92 2nnu h TYR 19 Cb 0.01 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 2nnu h TYR 19 CO -0.05 0.41 -0.38 0.93 -1.05 0.00 0.00 178.16 178.02 2nnu h GLU 20 N 0.77 0.51 -0.02 4.88 5.08 -0.85 -3.17 114.58 121.78 2nnu h GLU 20 Ca 0.27 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 2nnu h GLU 20 Cb 0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2nnu h GLU 20 CO -0.12 0.81 -0.61 -0.91 -1.00 0.00 0.00 179.01 177.18 2nnu h ASN 21 N 0.42 0.10 -6.58 1.42 2.35 -0.76 -3.48 115.58 109.06 2nnu h ASN 21 Ca 0.04 -0.06 -0.51 0.00 -0.55 0.00 0.00 56.30 55.22 2nnu h ASN 21 Cb 0.86 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 2nnu h ASN 21 CO 0.07 0.68 -0.95 -0.67 -1.65 0.00 0.00 177.43 174.91 2nnu n ASP 22 N -3.84 -3.14 -4.77 5.81 2.03 -0.87 -4.89 116.55 106.88 2nnu n ASP 22 Ca -0.02 -1.12 -0.33 0.00 0.52 0.00 0.00 54.79 53.84 2nnu n ASP 22 Cb 0.61 -2.64 0.05 0.00 -0.72 0.00 0.00 41.12 38.42 2nnu n ASP 22 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2nnu s SER 23 N -3.80 5.10 -0.01 1.67 0.15 -1.26 -4.94 113.70 110.61 2nnu s SER 23 Ca 0.32 2.00 0.13 0.00 0.70 0.00 0.00 55.95 59.09 2nnu s SER 23 Cb -0.14 -2.55 0.37 0.00 -1.71 0.00 0.00 66.02 61.99 2nnu s SER 23 CO 0.91 -1.64 1.31 0.35 1.20 0.00 0.00 173.24 175.38 2nnu n THR 24 N -2.43 1.05 -3.45 6.45 -2.24 -1.26 -4.23 114.28 108.16 2nnu n THR 24 Ca 0.10 -1.03 -0.38 0.00 -2.27 0.00 0.00 64.05 60.47 2nnu n THR 24 Cb 0.52 0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 69.14 2nnu n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nnu s ASP 25 N -1.02 6.25 0.41 3.42 -1.08 -1.25 -1.89 116.67 121.51 2nnu s ASP 25 Ca 0.28 0.29 0.14 0.00 -0.52 0.00 0.00 52.55 52.73 2nnu s ASP 25 Cb 0.15 -2.19 0.99 0.00 -1.46 0.00 0.00 42.92 40.41 2nnu s ASP 25 CO 0.18 -0.11 1.93 0.25 0.52 0.00 0.00 175.17 177.94 2nnu h LEU 26 N 8.20 0.44 -1.60 -1.34 5.85 -1.81 -1.71 115.31 123.35 2nnu h LEU 26 Ca -0.34 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.44 2nnu h LEU 26 Cb 1.17 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2nnu h LEU 26 CO 0.65 0.24 0.32 -0.09 -0.34 0.00 0.00 178.44 179.23 2nnu h ARG 27 N 0.48 0.51 0.00 1.25 9.65 -1.93 -0.78 114.38 123.56 2nnu h ARG 27 Ca 0.36 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 59.12 2nnu h ARG 27 Cb 0.72 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 2nnu h ARG 27 CO -0.12 0.34 -0.40 -0.44 2.80 0.00 0.00 179.97 182.15 2nnu h ASP 28 N 0.52 0.00 0.88 -3.80 3.45 -1.73 -2.61 116.42 113.13 2nnu h ASP 28 Ca 0.20 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.45 2nnu h ASP 28 Cb 0.14 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 2nnu h ASP 28 CO -0.05 0.40 -0.99 0.45 -1.57 0.00 0.00 179.24 177.48 2nnu h HIS 29 N 0.00 0.09 -0.57 4.55 3.86 -1.18 -1.31 115.15 120.59 2nnu h HIS 29 Ca -0.00 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2nnu h HIS 29 Cb 0.84 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.28 2nnu h HIS 29 CO 0.00 1.00 0.31 0.82 0.86 0.00 0.00 177.93 180.92 2nnu h ILE 30 N 0.02 1.19 -0.62 2.45 2.04 -1.27 -1.58 117.51 119.74 2nnu h ILE 30 Ca -0.03 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 2nnu h ILE 30 Cb 1.71 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 2nnu h ILE 30 CO 0.14 0.20 0.16 -0.78 0.00 0.00 0.00 178.15 177.87 2nnu h ASP 31 N 0.77 0.90 0.05 1.72 1.82 -1.29 -0.12 116.42 120.25 2nnu h ASP 31 Ca 0.20 -0.17 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2nnu h ASP 31 Cb 0.05 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 2nnu h ASP 31 CO -0.03 0.86 -0.07 0.22 -1.61 0.00 0.00 179.24 178.61 2nnu h TYR 32 N 0.92 -0.18 -0.03 0.28 3.20 -0.98 -1.92 116.97 118.26 2nnu h TYR 32 Ca 0.20 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 2nnu h TYR 32 Cb 0.31 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2nnu h TYR 32 CO 0.02 -0.11 -0.40 -1.49 -1.64 0.00 0.00 178.16 174.54 2nnu h TRP 33 N -0.15 0.08 -0.72 -3.82 4.06 -0.96 -0.27 115.95 114.17 2nnu h TRP 33 Ca 0.01 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 2nnu h TRP 33 Cb 0.16 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 2nnu h TRP 33 CO -0.12 0.47 0.20 -0.22 -3.56 0.00 0.00 178.44 175.21 2nnu h LYS 34 N 0.06 1.14 -0.17 0.49 3.64 -0.75 -0.04 116.57 120.94 2nnu h LYS 34 Ca 0.00 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 58.95 2nnu h LYS 34 Cb 0.74 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2nnu h LYS 34 CO 0.06 0.98 -0.64 0.45 -2.27 0.00 0.00 179.45 178.03 2nnu h HIS 35 N 1.08 0.79 -0.95 1.91 3.86 -0.74 -1.86 115.15 119.26 2nnu h HIS 35 Ca 0.23 -0.31 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2nnu h HIS 35 Cb 0.34 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.62 2nnu h HIS 35 CO 0.03 1.08 0.62 0.52 0.86 0.00 0.00 177.93 181.04 2nnu h MET 36 N 0.45 1.25 -0.28 2.45 2.86 -0.78 -0.38 114.93 120.50 2nnu h MET 36 Ca -0.01 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2nnu h MET 36 Cb 1.21 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2nnu h MET 36 CO 0.12 0.83 0.16 -0.09 1.06 0.00 0.00 176.91 178.99 2nnu h ARG 37 N 1.29 0.32 -0.62 1.72 2.43 -0.82 -2.17 114.38 116.53 2nnu h ARG 37 Ca 0.35 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2nnu h ARG 37 Cb -0.14 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 2nnu h ARG 37 CO -0.07 0.21 0.21 1.25 -1.51 0.00 0.00 179.97 180.06 2nnu h LEU 38 N 0.33 0.89 -0.68 3.80 5.85 -0.93 -2.63 115.31 121.93 2nnu h LEU 38 Ca 0.11 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2nnu h LEU 38 Cb 0.00 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 2nnu h LEU 38 CO -0.06 0.85 0.36 -0.08 -0.34 0.00 0.00 178.44 179.18 2nnu h GLU 39 N 0.88 0.63 -0.66 1.25 4.81 -0.78 -0.39 114.58 120.33 2nnu h GLU 39 Ca 0.20 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2nnu h GLU 39 Cb 0.26 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2nnu h GLU 39 CO -0.01 0.42 0.30 0.00 -0.73 0.00 0.00 179.01 178.99 2nnu h ALA 41 N 1.13 0.83 -0.13 0.00 0.00 -1.00 -0.74 119.26 119.36 2nnu h ALA 41 Ca 0.22 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2nnu h ALA 41 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2nnu h ALA 41 CO -0.03 0.47 -0.00 0.82 0.00 0.00 0.00 179.25 180.51 2nnu h ILE 42 N 0.91 0.91 -0.38 0.00 2.04 -0.73 -0.30 117.51 119.96 2nnu h ILE 42 Ca 0.21 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.99 2nnu h ILE 42 Cb 0.24 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2nnu h ILE 42 CO -0.01 0.01 -0.06 1.88 0.00 0.00 0.00 178.15 179.97 2nnu h TYR 43 N 0.04 0.67 -0.16 1.37 -1.99 -0.98 -0.26 116.97 115.65 2nnu h TYR 43 Ca 0.06 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 2nnu h TYR 43 Cb 0.07 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 2nnu h TYR 43 CO -0.14 0.67 -0.00 -0.92 -0.00 0.00 0.00 178.16 177.77 2nnu h TYR 44 N 0.58 0.32 -0.91 4.88 5.03 -0.84 -1.82 116.97 124.21 2nnu h TYR 44 Ca 0.11 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.38 2nnu h TYR 44 Cb 0.46 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.61 2nnu h TYR 44 CO 0.02 0.51 0.60 -0.22 -1.32 0.00 0.00 178.16 177.75 2nnu h LYS 45 N 0.03 1.19 -0.65 1.82 1.63 -0.81 -0.59 116.57 119.20 2nnu h LYS 45 Ca 0.05 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2nnu h LYS 45 Cb 0.38 -0.27 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 2nnu h LYS 45 CO 0.01 0.79 0.41 0.00 -3.45 0.00 0.00 179.45 177.20 2nnu h ALA 46 N 1.34 0.84 -0.49 5.00 0.00 -0.87 -1.35 119.26 123.73 2nnu h ALA 46 Ca 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2nnu h ALA 46 Cb -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2nnu h ALA 46 CO -0.08 0.18 0.04 -0.09 0.00 0.00 0.00 179.25 179.30 2nnu h ARG 47 N 0.81 0.85 -0.52 0.00 9.65 -0.89 -1.34 114.38 122.94 2nnu h ARG 47 Ca 0.26 -0.25 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2nnu h ARG 47 Cb -0.01 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 2nnu h ARG 47 CO -0.09 0.87 0.34 0.93 2.80 0.00 0.00 179.97 184.82 2nnu h GLU 48 N 0.72 0.54 -0.10 0.20 5.08 -0.74 -0.95 114.58 119.32 2nnu h GLU 48 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2nnu h GLU 48 Cb 0.46 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2nnu h GLU 48 CO 0.02 0.35 0.00 -1.33 -1.00 0.00 0.00 179.01 177.05 2nnu n MET 49 N -4.47 1.47 -0.48 2.33 2.81 -0.54 -4.91 117.12 113.33 2nnu n MET 49 Ca 0.06 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 2nnu n MET 49 Cb 0.17 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2nnu n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2nnu n GLY 50 N 1.01 0.72 3.81 3.03 0.00 -0.36 -5.07 105.19 108.33 2nnu n GLY 50 Ca 0.16 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 2nnu n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nnu s PHE 51 N -2.00 3.58 -0.72 1.61 0.08 -0.54 -4.96 117.98 115.03 2nnu s PHE 51 Ca 0.00 0.69 0.16 0.00 0.12 0.00 0.00 56.93 57.90 2nnu s PHE 51 Cb 0.00 -2.20 -0.18 0.00 -0.57 0.00 0.00 43.02 40.06 2nnu s PHE 51 CO 0.00 0.51 0.67 1.63 -0.10 0.00 0.00 175.22 177.93 2nnu n LYS 52 N 2.57 1.52 -3.97 0.44 4.76 -1.26 -4.04 118.16 118.18 2nnu n LYS 52 Ca -0.15 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.19 2nnu n LYS 52 Cb 0.53 -1.28 -0.09 0.00 -1.84 0.00 0.00 35.03 32.34 2nnu n LYS 52 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2nnu s HIS 53 N -2.59 0.28 -0.09 2.13 -3.43 -1.26 -1.56 115.29 108.77 2nnu s HIS 53 Ca 0.05 -0.66 -0.01 0.00 -0.80 0.00 0.00 55.06 53.64 2nnu s HIS 53 Cb 0.12 -0.20 0.03 0.00 -1.43 0.00 0.00 32.58 31.10 2nnu s HIS 53 CO 0.67 -0.37 -0.01 -1.50 -2.00 0.00 0.00 174.74 171.53 2nnu s ILE 54 N -2.96 0.52 -1.30 -5.38 2.07 -0.15 -4.74 121.20 109.26 2nnu s ILE 54 Ca -0.02 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.11 2nnu s ILE 54 Cb 0.01 -0.67 0.09 0.00 0.13 0.00 0.00 42.46 42.02 2nnu s ILE 54 CO -0.06 0.26 0.50 0.59 -1.91 0.00 0.00 174.94 174.32 2nnu n ASN 55 N 5.10 -3.36 -0.68 4.50 3.02 -1.26 -1.18 115.26 121.40 2nnu n ASN 55 Ca -0.08 -0.47 -0.09 0.00 -0.03 0.00 0.00 54.58 53.91 2nnu n ASN 55 Cb 0.50 -2.79 -0.04 0.00 -0.61 0.00 0.00 39.78 36.84 2nnu n ASN 55 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2nnu n HIS 56 N -3.91 0.00 -4.03 3.10 8.25 -1.26 -5.01 115.22 112.36 2nnu n HIS 56 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 2nnu n HIS 56 Cb 0.53 -1.84 -0.07 0.00 1.12 0.00 0.00 29.99 29.72 2nnu n HIS 56 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2nnu s GLN 57 N -2.60 3.36 0.37 -0.41 -0.21 -0.33 -5.07 119.66 114.77 2nnu s GLN 57 Ca 0.00 -0.23 -0.28 0.00 0.02 0.00 0.00 55.36 54.87 2nnu s GLN 57 Cb 0.00 -3.08 -0.11 0.00 1.00 0.00 0.00 33.01 30.82 2nnu s GLN 57 CO 0.00 0.71 1.49 0.54 -2.12 0.00 0.00 175.29 175.91 2nnu s VAL 58 N -0.86 2.08 -0.33 1.09 0.11 -1.26 -0.98 120.40 120.25 2nnu s VAL 58 Ca 0.14 0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 2nnu s VAL 58 Cb -0.12 -3.05 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 2nnu s VAL 58 CO 0.03 0.02 0.21 -0.69 -3.33 0.00 0.00 175.10 171.34 2nnu s VAL 59 N -1.05 5.06 0.95 2.04 1.01 -0.60 -4.77 120.40 123.04 2nnu s VAL 59 Ca 0.53 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 2nnu s VAL 59 Cb -0.46 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.50 2nnu s VAL 59 CO 0.62 0.03 1.09 -2.84 0.00 0.00 0.00 175.10 174.00 2nnu s PRO 60 N 1.69 0.77 0.81 2.72 0.02 -1.26 -4.83 135.00 134.91 2nnu s PRO 60 Ca 0.06 0.92 -0.13 0.00 0.02 0.00 0.00 61.00 61.87 2nnu s PRO 60 Cb -0.17 -1.74 0.08 0.00 0.02 0.00 0.00 34.50 32.69 2nnu s PRO 60 CO 0.09 -2.60 1.18 0.95 -0.33 0.00 0.00 177.00 176.29 2nnu s THR 61 N -2.80 2.23 0.23 0.99 -4.23 -1.26 -4.79 115.64 106.01 2nnu s THR 61 Ca 0.65 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 61.19 2nnu s THR 61 Cb -0.20 -2.45 0.20 0.00 1.34 0.00 0.00 72.50 71.39 2nnu s THR 61 CO 0.59 -0.08 1.72 -0.07 -0.54 0.00 0.00 174.62 176.23 2nnu h LEU 62 N -0.98 0.15 -1.19 4.79 3.38 -1.94 -1.89 115.31 117.62 2nnu h LEU 62 Ca -0.46 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2nnu h LEU 62 Cb 1.28 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2nnu h LEU 62 CO 0.46 0.06 0.16 0.00 0.09 0.00 0.00 178.44 179.21 2nnu h ALA 63 N 1.53 1.36 -0.09 1.53 0.00 -1.99 -0.24 119.26 121.35 2nnu h ALA 63 Ca 0.38 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2nnu h ALA 63 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nnu h ALA 63 CO -0.41 0.47 -0.19 0.28 0.00 0.00 0.00 179.25 179.39 2nnu h VAL 64 N 0.71 1.40 -0.55 0.00 2.07 -1.72 -2.04 116.25 116.12 2nnu h VAL 64 Ca 0.17 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 2nnu h VAL 64 Cb 0.20 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2nnu h VAL 64 CO -0.01 0.43 -0.03 0.28 0.02 0.00 0.00 177.57 178.25 2nnu h SER 65 N -0.16 0.95 -0.42 0.57 0.02 -1.24 -1.68 113.55 111.59 2nnu h SER 65 Ca 0.00 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2nnu h SER 65 Cb 0.78 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2nnu h SER 65 CO 0.04 1.02 0.18 0.50 -1.14 0.00 0.00 176.83 177.43 2nnu h LYS 66 N 0.88 0.62 -0.60 3.45 3.64 -1.05 0.16 116.57 123.67 2nnu h LYS 66 Ca 0.16 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2nnu h LYS 66 Cb 0.56 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2nnu h LYS 66 CO 0.03 0.56 0.37 -0.97 -2.27 0.00 0.00 179.45 177.18 2nnu h ASN 67 N 0.53 0.72 -0.53 4.20 -0.73 -1.15 -0.30 115.58 118.32 2nnu h ASN 67 Ca 0.14 -0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.18 2nnu h ASN 67 Cb 0.17 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 2nnu h ASN 67 CO -0.01 0.56 0.06 0.11 -0.37 0.00 0.00 177.43 177.77 2nnu h LYS 68 N 0.81 0.94 -0.26 6.67 1.57 -1.14 -1.61 116.57 123.56 2nnu h LYS 68 Ca 0.22 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2nnu h LYS 68 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2nnu h LYS 68 CO -0.04 0.89 0.14 0.00 -0.57 0.00 0.00 179.45 179.87 2nnu h ALA 69 N 1.18 0.33 -0.62 3.86 0.00 -0.17 -0.53 119.26 123.32 2nnu h ALA 69 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2nnu h ALA 69 Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2nnu h ALA 69 CO 0.01 -0.13 0.33 -0.07 0.00 0.00 0.00 179.25 179.39 2nnu h LEU 70 N 0.31 0.76 -0.27 0.00 3.38 -0.77 0.71 115.31 119.42 2nnu h LEU 70 Ca 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2nnu h LEU 70 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2nnu h LEU 70 CO -0.01 0.61 0.05 1.56 0.09 0.00 0.00 178.44 180.74 2nnu h GLN 71 N 0.86 0.44 -0.53 1.13 4.20 -0.83 -1.69 115.11 118.68 2nnu h GLN 71 Ca 0.22 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2nnu h GLN 71 Cb 0.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2nnu h GLN 71 CO -0.04 0.55 0.27 0.00 -0.67 0.00 0.00 178.83 178.95 2nnu h ALA 72 N 0.87 0.69 -0.32 3.87 0.00 -0.62 -0.64 119.26 123.11 2nnu h ALA 72 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nnu h ALA 72 Cb 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2nnu h ALA 72 CO 0.00 0.23 0.20 0.82 0.00 0.00 0.00 179.25 180.51 2nnu h ILE 73 N 0.72 1.10 -0.53 0.00 2.04 -0.81 0.96 117.51 120.98 2nnu h ILE 73 Ca 0.19 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2nnu h ILE 73 Cb 0.09 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2nnu h ILE 73 CO -0.03 0.10 0.34 -0.08 0.00 0.00 0.00 178.15 178.49 2nnu h GLU 74 N 0.42 0.71 -0.38 2.37 4.81 -1.06 -1.39 114.58 120.07 2nnu h GLU 74 Ca 0.12 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2nnu h GLU 74 Cb -0.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2nnu h GLU 74 CO -0.02 0.49 0.00 -0.07 -0.73 0.00 0.00 179.01 178.68 2nnu h LEU 75 N 0.72 0.65 -0.13 1.64 -0.00 -0.87 -1.15 115.31 116.16 2nnu h LEU 75 Ca 0.19 -0.31 0.03 0.00 -0.00 0.00 0.00 57.88 57.80 2nnu h LEU 75 Cb -0.05 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.40 2nnu h LEU 75 CO -0.04 0.80 -0.08 -0.61 -0.00 0.00 0.00 178.44 178.50 2nnu h GLN 76 N 0.48 -0.08 -0.35 1.13 4.15 -0.56 -0.56 115.11 119.33 2nnu h GLN 76 Ca 0.11 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 2nnu h GLN 76 Cb 0.46 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 2nnu h GLN 76 CO 0.02 -0.05 -0.08 -0.07 -1.93 0.00 0.00 178.83 176.72 2nnu h LEU 77 N -0.08 0.55 -0.37 -2.39 3.38 -1.18 -0.92 115.31 114.30 2nnu h LEU 77 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2nnu h LEU 77 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2nnu h LEU 77 CO -0.18 0.68 0.14 0.74 0.09 0.00 0.00 178.44 179.90 2nnu h THR 78 N 0.54 1.20 -0.21 0.22 2.02 -0.85 -1.66 112.91 114.17 2nnu h THR 78 Ca 0.10 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 2nnu h THR 78 Cb 0.46 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2nnu h THR 78 CO 0.02 0.22 -0.30 -0.07 0.37 0.00 0.00 175.52 175.77 2nnu h LEU 79 N 0.45 0.41 -0.91 2.58 3.38 -0.67 -1.04 115.31 119.52 2nnu h LEU 79 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2nnu h LEU 79 Cb 0.20 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2nnu h LEU 79 CO -0.01 0.70 0.53 -0.33 0.09 0.00 0.00 178.44 179.41 2nnu h GLU 80 N 0.35 1.24 -0.41 1.13 5.08 -0.93 0.97 114.58 122.02 2nnu h GLU 80 Ca 0.05 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2nnu h GLU 80 Cb 0.70 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2nnu h GLU 80 CO 0.05 0.89 0.17 1.15 -1.00 0.00 0.00 179.01 180.27 2nnu h THR 81 N 1.26 1.19 -0.63 1.13 2.02 -0.63 -2.22 112.91 115.03 2nnu h THR 81 Ca 0.32 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 2nnu h THR 81 Cb -0.02 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2nnu h THR 81 CO -0.06 0.21 0.19 0.40 0.37 0.00 0.00 175.52 176.63 2nnu h ILE 82 N 0.52 1.24 -0.14 3.11 2.04 -0.84 -2.49 117.51 120.95 2nnu h ILE 82 Ca 0.14 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2nnu h ILE 82 Cb 0.17 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2nnu h ILE 82 CO -0.01 0.32 -0.10 0.22 0.00 0.00 0.00 178.15 178.57 2nnu h TYR 83 N 0.92 0.22 -0.19 1.37 3.20 -0.45 -0.88 116.97 121.16 2nnu h TYR 83 Ca 0.20 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2nnu h TYR 83 Cb 0.28 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2nnu h TYR 83 CO 0.02 0.32 0.00 0.09 -1.64 0.00 0.00 178.16 176.95 2nnu n ASN 84 N -4.31 1.25 -4.90 -2.11 3.02 -0.87 -4.62 115.26 102.72 2nnu n ASN 84 Ca -0.01 -1.84 -0.23 0.00 -0.03 0.00 0.00 54.58 52.47 2nnu n ASN 84 Cb 0.24 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2nnu n ASN 84 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2nnu s SER 85 N -1.23 4.85 0.25 6.41 1.04 -0.34 -5.01 113.70 119.66 2nnu s SER 85 Ca 0.22 -0.99 0.20 0.00 0.48 0.00 0.00 55.95 55.86 2nnu s SER 85 Cb 0.12 -0.02 0.96 0.00 0.10 0.00 0.00 66.02 67.18 2nnu s SER 85 CO 0.17 -0.94 1.62 0.00 0.98 0.00 0.00 173.24 175.07 2nnu n GLN 86 N -1.72 0.14 -0.08 4.02 10.64 -1.26 -2.54 117.38 126.58 2nnu n GLN 86 Ca 0.03 0.51 0.12 0.00 -1.83 0.00 0.00 57.00 55.82 2nnu n GLN 86 Cb 0.63 -1.85 0.32 0.00 -0.86 0.00 0.00 30.24 28.47 2nnu n GLN 86 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2nnu n TYR 87 N -2.14 0.21 0.08 2.61 4.02 -1.26 -4.49 117.16 116.19 2nnu n TYR 87 Ca 0.01 -0.10 0.04 0.00 -0.01 0.00 0.00 57.90 57.84 2nnu n TYR 87 Cb 0.12 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 39.91 2nnu n TYR 87 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2nnu h SER 88 N 3.24 0.31 -0.02 7.72 4.64 -1.54 -2.57 113.55 125.34 2nnu h SER 88 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2nnu h SER 88 Cb 0.70 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2nnu h SER 88 CO 0.00 0.28 0.00 -3.20 -0.87 0.00 0.00 176.83 173.04 2nnu n ASN 89 N -4.44 1.45 -4.64 4.97 5.15 -1.26 -4.60 115.26 111.90 2nnu n ASN 89 Ca 0.01 -1.49 -0.30 0.00 -0.60 0.00 0.00 54.58 52.20 2nnu n ASN 89 Cb 0.12 -0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.54 2nnu n ASN 89 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2nnu s GLU 90 N -1.99 0.56 0.18 1.20 2.02 -0.97 -4.96 118.70 114.74 2nnu s GLU 90 Ca 0.38 1.11 -0.31 0.00 0.02 0.00 0.00 54.97 56.17 2nnu s GLU 90 Cb 0.21 -1.71 -0.10 0.00 0.10 0.00 0.00 34.13 32.64 2nnu s GLU 90 CO 0.33 -2.80 1.48 0.21 0.02 0.00 0.00 175.26 174.51 2nnu s LYS 91 N -4.69 4.26 -0.10 1.61 2.20 -1.26 -4.75 119.74 117.01 2nnu s LYS 91 Ca 0.66 2.28 -0.02 0.00 -0.36 0.00 0.00 55.97 58.53 2nnu s LYS 91 Cb -0.22 -3.16 0.04 0.00 -1.51 0.00 0.00 37.83 32.98 2nnu s LYS 91 CO 0.60 -0.50 0.02 -1.58 -0.36 0.00 0.00 175.35 173.52 2nnu s TRP 92 N 0.76 0.66 0.36 4.03 0.52 -0.79 -5.06 118.94 119.41 2nnu s TRP 92 Ca 0.65 -0.27 0.06 0.00 0.02 0.00 0.00 56.10 56.56 2nnu s TRP 92 Cb -0.42 -0.81 -0.00 0.00 -1.15 0.00 0.00 33.47 31.09 2nnu s TRP 92 CO 0.35 -0.38 0.51 0.95 0.02 0.00 0.00 176.95 178.40 2nnu s THR 93 N 1.98 3.91 0.38 2.01 -4.23 -1.26 -3.90 115.64 114.53 2nnu s THR 93 Ca 0.04 -0.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.68 2nnu s THR 93 Cb -0.13 -3.36 0.23 0.00 1.34 0.00 0.00 72.50 70.58 2nnu s THR 93 CO -0.06 -0.16 2.00 -0.07 -0.54 0.00 0.00 174.62 175.79 2nnu h LEU 94 N 0.78 0.51 -0.66 4.79 3.38 -1.92 -1.76 115.31 120.43 2nnu h LEU 94 Ca -0.45 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 2nnu h LEU 94 Cb 1.26 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2nnu h LEU 94 CO 0.52 0.43 0.15 1.56 0.09 0.00 0.00 178.44 181.19 2nnu h GLN 95 N 0.58 1.07 -0.30 1.13 1.08 -1.96 -2.05 115.11 114.66 2nnu h GLN 95 Ca 0.15 -0.26 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 2nnu h GLN 95 Cb 0.05 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2nnu h GLN 95 CO -0.02 0.96 0.20 -0.44 -0.95 0.00 0.00 178.83 178.58 2nnu h ASP 96 N 0.99 0.25 -0.41 1.46 3.32 -1.64 -2.06 116.42 118.32 2nnu h ASP 96 Ca 0.20 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2nnu h ASP 96 Cb 0.39 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2nnu h ASP 96 CO 0.01 0.17 0.00 1.33 -1.72 0.00 0.00 179.24 179.03 2nnu n VAL 97 N -4.49 2.48 -2.29 -1.35 0.24 -0.94 -4.23 118.33 107.74 2nnu n VAL 97 Ca 0.02 -1.64 -0.31 0.00 -2.04 0.00 0.00 64.34 60.37 2nnu n VAL 97 Cb 0.16 -0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 32.27 2nnu n VAL 97 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2nnu s SER 98 N -1.39 6.47 0.32 -1.34 1.04 -0.78 -4.94 113.70 113.09 2nnu s SER 98 Ca 0.48 1.44 0.05 0.00 0.48 0.00 0.00 55.95 58.40 2nnu s SER 98 Cb 0.37 -2.46 0.54 0.00 0.10 0.00 0.00 66.02 64.57 2nnu s SER 98 CO 0.13 -0.66 1.79 0.25 0.98 0.00 0.00 173.24 175.73 2nnu h LEU 99 N 0.52 0.39 -0.21 2.42 5.85 -1.90 -0.99 115.31 121.39 2nnu h LEU 99 Ca -0.46 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.19 2nnu h LEU 99 Cb 1.19 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2nnu h LEU 99 CO 0.62 0.60 -0.06 -0.08 -0.34 0.00 0.00 178.44 179.18 2nnu h GLU 100 N 0.36 -0.02 -0.23 1.25 4.81 -1.93 0.20 114.58 119.03 2nnu h GLU 100 Ca 0.06 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2nnu h GLU 100 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2nnu h GLU 100 CO 0.04 -0.01 0.00 0.28 -0.73 0.00 0.00 179.01 178.59 2nnu h VAL 101 N -0.02 1.25 -0.90 0.32 2.07 -1.77 -2.85 116.25 114.36 2nnu h VAL 101 Ca 0.10 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.81 2nnu h VAL 101 Cb 0.18 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2nnu h VAL 101 CO -0.23 0.27 0.58 0.22 0.02 0.00 0.00 177.57 178.44 2nnu h TYR 102 N 0.17 1.04 -0.01 1.57 3.20 -0.51 -1.83 116.97 120.61 2nnu h TYR 102 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2nnu h TYR 102 Cb 0.40 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2nnu h TYR 102 CO 0.03 0.54 -0.26 1.28 -1.64 0.00 0.00 178.16 178.12 2nnu n LEU 103 N -4.49 0.80 -4.77 2.82 4.77 -0.00 -0.89 117.00 115.23 2nnu n LEU 103 Ca 0.13 -0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.59 2nnu n LEU 103 Cb 0.20 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2nnu n LEU 103 CO 0.33 0.15 0.81 -0.89 -1.33 0.00 0.00 177.39 176.47 2nnu s THR 104 N -2.59 3.30 0.34 -5.08 2.01 -0.69 -4.53 115.64 108.40 2nnu s THR 104 Ca 0.23 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 2nnu s THR 104 Cb 0.19 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 69.00 2nnu s THR 104 CO 0.54 0.08 1.53 0.00 -0.69 0.00 0.00 174.62 176.07 2nnu s ALA 105 N -1.47 3.64 -0.11 7.40 0.00 -1.26 -2.85 121.76 127.11 2nnu s ALA 105 Ca 0.57 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.80 2nnu s ALA 105 Cb -0.29 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2nnu s ALA 105 CO 0.36 -1.02 1.44 -1.25 0.00 0.00 0.00 175.76 175.30 2nnu s PRO 106 N -1.43 4.21 0.55 0.00 0.04 -1.26 -4.95 135.00 132.17 2nnu s PRO 106 Ca 0.57 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 2nnu s PRO 106 Cb -0.47 -3.86 -0.05 0.00 0.04 0.00 0.00 34.50 30.16 2nnu s PRO 106 CO 0.57 -0.77 1.13 -0.08 0.04 0.00 0.00 177.00 177.89 2nnu s THR 107 N 3.72 3.13 0.00 1.26 -1.32 -1.13 -3.76 115.64 117.54 2nnu s THR 107 Ca 0.63 0.69 0.00 0.00 -1.21 0.00 0.00 61.69 61.80 2nnu s THR 107 Cb -0.27 -3.27 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 2nnu s THR 107 CO 0.22 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 2nnu n GLY 108 N 0.14 0.63 2.80 6.08 0.00 -0.07 -5.01 105.19 109.76 2nnu n GLY 108 Ca 0.12 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 2nnu n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnu s ILE 110 N 1.12 2.54 -0.02 0.00 -1.09 -1.26 -4.29 121.20 118.20 2nnu s ILE 110 Ca -0.08 0.47 -0.06 0.00 -2.23 0.00 0.00 60.65 58.74 2nnu s ILE 110 Cb -0.13 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 2nnu s ILE 110 CO -0.02 0.08 0.14 -0.54 -1.23 0.00 0.00 174.94 173.37 2nnu s LYS 111 N -0.74 0.38 0.11 2.79 1.02 -1.26 -0.91 119.74 121.12 2nnu s LYS 111 Ca 0.58 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.40 2nnu s LYS 111 Cb -0.43 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.01 2nnu s LYS 111 CO 0.47 -0.08 -0.10 0.15 -0.92 0.00 0.00 175.35 174.87 2nnu s LYS 112 N -0.91 0.91 -0.77 1.68 1.02 0.43 -4.78 119.74 117.32 2nnu s LYS 112 Ca -0.10 -1.25 -0.03 0.00 0.02 0.00 0.00 55.97 54.61 2nnu s LYS 112 Cb -0.06 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 2nnu s LYS 112 CO 0.01 0.08 0.67 0.72 -0.92 0.00 0.00 175.35 175.90 2nnu n HIS 113 N 0.31 -1.69 -2.51 3.18 8.25 -1.26 -2.44 115.22 119.06 2nnu n HIS 113 Ca -0.14 0.62 -0.35 0.00 -0.26 0.00 0.00 57.72 57.59 2nnu n HIS 113 Cb 0.59 -3.81 -0.03 0.00 1.12 0.00 0.00 29.99 27.86 2nnu n HIS 113 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2nnu s GLY 114 N -3.47 2.63 0.15 -1.41 0.00 -1.26 -2.15 107.32 101.81 2nnu s GLY 114 Ca 0.23 0.68 -0.11 0.00 0.00 0.00 0.00 44.72 45.52 2nnu s GLY 114 CO 0.52 1.06 0.32 -2.52 0.00 0.00 0.00 173.10 172.49 2nnu s TYR 115 N -1.80 0.16 -0.03 1.90 -0.85 -0.11 -4.98 117.35 111.65 2nnu s TYR 115 Ca 0.63 -0.53 -0.21 0.00 -0.52 0.00 0.00 57.07 56.44 2nnu s TYR 115 Cb -0.20 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 2nnu s TYR 115 CO 0.25 -0.71 0.59 0.99 -1.52 0.00 0.00 175.55 175.15 2nnu s THR 116 N -3.90 4.97 -0.13 -3.49 2.01 -1.26 -0.92 115.64 112.91 2nnu s THR 116 Ca 0.11 1.23 -0.00 0.00 0.31 0.00 0.00 61.69 63.34 2nnu s THR 116 Cb 0.03 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2nnu s THR 116 CO -0.05 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.45 2nnu s VAL 117 N 0.07 3.10 -0.08 3.82 1.01 -0.11 -4.75 120.40 123.46 2nnu s VAL 117 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2nnu s VAL 117 Cb -0.18 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2nnu s VAL 117 CO 0.16 0.52 -0.08 -0.70 0.00 0.00 0.00 175.10 175.01 2nnu s GLU 118 N 0.37 2.89 -0.15 2.72 2.12 0.00 -0.74 118.70 125.91 2nnu s GLU 118 Ca -0.10 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.66 2nnu s GLU 118 Cb -0.16 -2.61 0.03 0.00 0.26 0.00 0.00 34.13 31.65 2nnu s GLU 118 CO 0.05 0.57 -0.12 0.08 -0.54 0.00 0.00 175.26 175.31 2nnu s VAL 119 N -0.56 1.43 -0.30 3.70 1.01 -0.40 0.19 120.40 125.48 2nnu s VAL 119 Ca 0.08 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 2nnu s VAL 119 Cb -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2nnu s VAL 119 CO 0.02 0.39 0.30 -1.58 0.00 0.00 0.00 175.10 174.24 2nnu s GLN 120 N 1.54 3.84 -0.07 2.72 0.74 -0.30 -1.04 119.66 127.08 2nnu s GLN 120 Ca 0.04 -0.24 -0.21 0.00 0.05 0.00 0.00 55.36 55.00 2nnu s GLN 120 Cb -0.13 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2nnu s GLN 120 CO -0.10 -0.33 0.60 -0.06 -0.55 0.00 0.00 175.29 174.86 2nnu s PHE 121 N 1.93 3.58 -1.24 1.67 0.40 -0.28 -1.36 117.98 122.68 2nnu s PHE 121 Ca 0.11 1.12 -0.12 0.00 -0.60 0.00 0.00 56.93 57.43 2nnu s PHE 121 Cb -0.16 -2.68 0.11 0.00 0.51 0.00 0.00 43.02 40.81 2nnu s PHE 121 CO 0.11 0.18 0.45 -3.47 0.70 0.00 0.00 175.22 173.18 2nnu n ASP 122 N 3.49 -2.60 -0.20 1.36 2.03 -0.32 -2.03 116.55 118.29 2nnu n ASP 122 Ca -0.04 -0.51 -0.03 0.00 0.52 0.00 0.00 54.79 54.73 2nnu n ASP 122 Cb 0.51 -2.21 -0.01 0.00 -0.72 0.00 0.00 41.12 38.69 2nnu n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nnu n GLY 123 N -1.02 0.57 3.47 0.27 0.00 -1.26 -5.00 105.19 102.22 2nnu n GLY 123 Ca 0.03 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 2nnu n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nnu s ASP 124 N -2.44 5.44 0.28 1.61 -0.00 -0.86 -4.99 116.67 115.71 2nnu s ASP 124 Ca 0.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 52.55 52.27 2nnu s ASP 124 Cb 0.00 -1.99 0.45 0.00 -0.00 0.00 0.00 42.92 41.38 2nnu s ASP 124 CO 0.00 -0.09 1.89 0.40 -0.00 0.00 0.00 175.17 177.37 2nnu h ILE 125 N 5.55 1.07 0.00 0.77 2.04 -1.94 -0.80 117.51 124.19 2nnu h ILE 125 Ca -0.36 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2nnu h ILE 125 Cb 1.17 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2nnu h ILE 125 CO 0.58 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.94 2nnu n ASN 127 N -2.29 5.75 -4.27 0.00 5.15 -0.31 -4.98 115.26 114.31 2nnu n ASN 127 Ca 0.01 -3.70 -0.32 0.00 -0.60 0.00 0.00 54.58 49.96 2nnu n ASN 127 Cb 0.18 -0.80 -0.16 0.00 -0.53 0.00 0.00 39.78 38.46 2nnu n ASN 127 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2nnu s THR 128 N -4.57 2.32 0.04 -0.44 2.01 -1.20 -1.13 115.64 112.67 2nnu s THR 128 Ca 0.46 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.53 2nnu s THR 128 Cb 0.27 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2nnu s THR 128 CO -0.16 0.55 0.11 -0.04 -0.69 0.00 0.00 174.62 174.39 2nnu s MET 129 N 0.26 3.09 -0.11 4.92 -1.94 -0.21 -4.95 119.30 120.36 2nnu s MET 129 Ca -0.15 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 2nnu s MET 129 Cb -0.17 -2.86 -0.01 0.00 2.01 0.00 0.00 34.83 33.80 2nnu s MET 129 CO 0.07 0.61 -0.16 -1.01 -0.01 0.00 0.00 175.02 174.53 2nnu s HIS 130 N -1.34 2.73 0.24 -0.03 3.76 -1.26 -1.27 115.29 118.12 2nnu s HIS 130 Ca 0.28 -0.69 0.07 0.00 -0.15 0.00 0.00 55.06 54.57 2nnu s HIS 130 Cb -0.12 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.73 2nnu s HIS 130 CO 0.20 -0.22 -0.10 0.71 -0.85 0.00 0.00 174.74 174.48 2nnu s TYR 131 N 0.23 1.80 -0.21 1.40 1.51 0.08 -4.98 117.35 117.17 2nnu s TYR 131 Ca -0.10 -0.65 -0.05 0.00 -1.01 0.00 0.00 57.07 55.26 2nnu s TYR 131 Cb -0.16 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 2nnu s TYR 131 CO 0.06 0.30 -0.01 0.99 -1.11 0.00 0.00 175.55 175.78 2nnu s THR 132 N -3.02 3.82 0.40 -0.71 2.01 -1.26 -0.94 115.64 115.94 2nnu s THR 132 Ca 0.26 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.98 2nnu s THR 132 Cb 0.01 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 2nnu s THR 132 CO 0.09 0.42 0.45 0.21 -0.69 0.00 0.00 174.62 175.10 2nnu s ASN 133 N 1.17 5.44 -0.03 3.53 3.04 -0.10 -4.93 114.94 123.07 2nnu s ASN 133 Ca 0.03 -0.51 -0.01 0.00 0.04 0.00 0.00 52.86 52.41 2nnu s ASN 133 Cb -0.14 -0.75 0.03 0.00 -1.54 0.00 0.00 41.25 38.84 2nnu s ASN 133 CO 0.01 -0.62 0.06 0.26 -3.04 0.00 0.00 177.10 173.76 2nnu s TRP 134 N -2.36 -0.03 -0.07 0.43 0.52 -1.26 -0.93 118.94 115.24 2nnu s TRP 134 Ca 0.49 0.20 0.21 0.00 0.02 0.00 0.00 56.10 57.02 2nnu s TRP 134 Cb -0.07 -0.15 0.51 0.00 -1.15 0.00 0.00 33.47 32.61 2nnu s TRP 134 CO 0.30 -0.09 1.65 1.79 0.02 0.00 0.00 176.95 180.62 2nnu h THR 135 N 5.99 0.57 -3.35 2.01 1.35 -1.42 0.10 112.91 118.15 2nnu h THR 135 Ca -0.41 -1.50 -0.54 0.00 -0.55 0.00 0.00 66.41 63.41 2nnu h THR 135 Cb 1.14 2.05 -0.39 0.00 -1.73 0.00 0.00 68.15 69.22 2nnu h THR 135 CO 0.47 0.28 -0.78 -1.00 -0.25 0.00 0.00 175.52 174.25 2nnu s HIS 136 N -3.31 1.45 -0.18 4.73 3.76 -1.02 -4.01 115.29 116.70 2nnu s HIS 136 Ca 0.03 -1.03 -0.00 0.00 -0.15 0.00 0.00 55.06 53.91 2nnu s HIS 136 Cb 0.08 -1.20 0.01 0.00 1.11 0.00 0.00 32.58 32.59 2nnu s HIS 136 CO 0.68 -0.62 -0.16 0.42 -0.85 0.00 0.00 174.74 174.21 2nnu s ILE 137 N 1.72 2.41 -0.39 0.60 1.01 -0.13 -0.43 121.20 125.98 2nnu s ILE 137 Ca -0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 2nnu s ILE 137 Cb -0.16 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.28 2nnu s ILE 137 CO -0.07 0.51 0.46 -0.31 0.00 0.00 0.00 174.94 175.53 2nnu s TYR 138 N 1.26 3.17 -0.33 3.97 1.51 -0.09 -0.92 117.35 125.91 2nnu s TYR 138 Ca 0.04 -0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 55.81 2nnu s TYR 138 Cb -0.14 -2.91 -0.02 0.00 -0.11 0.00 0.00 41.96 38.79 2nnu s TYR 138 CO -0.09 -0.63 0.26 0.42 -1.11 0.00 0.00 175.55 174.40 2nnu s ILE 139 N 2.25 5.26 -0.19 2.71 1.01 0.67 -4.02 121.20 128.89 2nnu s ILE 139 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 2nnu s ILE 139 Cb -0.16 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2nnu s ILE 139 CO 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 174.94 175.07 2nnu s GLU 141 N 0.93 0.98 7.91 0.00 2.02 -0.65 -5.00 118.70 124.89 2nnu s GLU 141 Ca 0.01 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2nnu s GLU 141 Cb -0.14 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.45 2nnu s GLU 141 CO 0.02 -0.42 0.00 -1.91 0.02 0.00 0.00 175.26 172.97 2nnu n GLU 142 N 5.02 0.00 -0.38 1.61 2.13 -1.26 -1.57 120.64 126.18 2nnu n GLU 142 Ca -0.10 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.81 2nnu n GLU 142 Cb 0.49 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.47 2nnu n GLU 142 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nnu n ALA 143 N 12.05 2.57 -2.61 4.31 0.00 -1.26 -4.96 120.51 130.61 2nnu n ALA 143 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 53.44 51.70 2nnu n ALA 143 Cb 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 2nnu n ALA 143 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nnu s SER 144 N -1.06 4.65 -0.02 0.00 1.04 -0.61 -4.98 113.70 112.72 2nnu s SER 144 Ca 0.41 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.66 2nnu s SER 144 Cb 0.24 -1.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.31 2nnu s SER 144 CO 0.23 0.24 -0.13 -0.69 0.98 0.00 0.00 173.24 173.87 2nnu s VAL 145 N -1.11 1.06 -0.02 5.02 1.01 -1.26 -1.64 120.40 123.46 2nnu s VAL 145 Ca 0.20 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2nnu s VAL 145 Cb -0.11 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.36 2nnu s VAL 145 CO 0.11 0.31 -0.06 -0.89 0.00 0.00 0.00 175.10 174.58 2nnu s THR 146 N -0.05 0.54 -0.04 3.92 2.01 -0.36 -4.97 115.64 116.69 2nnu s THR 146 Ca -0.00 -0.21 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 2nnu s THR 146 Cb -0.08 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 2nnu s THR 146 CO 0.01 0.19 0.40 0.54 -0.69 0.00 0.00 174.62 175.06 2nnu s VAL 147 N 0.33 5.10 0.17 3.82 0.11 -1.26 -0.24 120.40 128.43 2nnu s VAL 147 Ca -0.04 0.81 0.06 0.00 -2.93 0.00 0.00 61.98 59.88 2nnu s VAL 147 Cb -0.08 -3.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.01 2nnu s VAL 147 CO -0.00 0.51 -0.12 0.68 -3.33 0.00 0.00 175.10 172.84 2nnu s VAL 148 N -0.59 1.40 -0.08 2.04 -7.23 -0.10 -4.95 120.40 110.90 2nnu s VAL 148 Ca 0.23 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 2nnu s VAL 148 Cb -0.16 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 2nnu s VAL 148 CO 0.11 -0.68 0.31 -0.70 -0.31 0.00 0.00 175.10 173.83 2nnu s GLU 149 N -3.68 3.93 0.20 4.82 2.12 -1.26 -0.95 118.70 123.86 2nnu s GLU 149 Ca 0.19 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.40 2nnu s GLU 149 Cb 0.01 -3.29 -0.08 0.00 0.26 0.00 0.00 34.13 31.03 2nnu s GLU 149 CO 0.03 0.55 1.11 0.20 -0.54 0.00 0.00 175.26 176.61 2nnu s GLY 150 N -0.51 2.86 0.22 -1.50 0.00 0.02 -4.51 107.32 103.91 2nnu s GLY 150 Ca 0.19 0.84 0.08 0.00 0.00 0.00 0.00 44.72 45.84 2nnu s GLY 150 CO 0.08 1.65 -0.14 1.20 0.00 0.00 0.00 173.10 175.90 2nnu s GLN 151 N -0.53 1.39 -0.03 2.90 -0.21 0.14 -4.74 119.66 118.57 2nnu s GLN 151 Ca 0.49 -1.63 0.05 0.00 0.02 0.00 0.00 55.36 54.28 2nnu s GLN 151 Cb -0.30 -1.17 -0.01 0.00 1.00 0.00 0.00 33.01 32.53 2nnu s GLN 151 CO 0.36 0.17 -0.17 0.54 -2.12 0.00 0.00 175.29 174.08 2nnu s VAL 152 N -2.94 1.36 0.01 1.09 0.11 -1.26 -1.12 120.40 117.64 2nnu s VAL 152 Ca 0.24 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2nnu s VAL 152 Cb -0.00 -1.15 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2nnu s VAL 152 CO 0.08 0.39 0.01 -0.90 -3.33 0.00 0.00 175.10 171.35 2nnu n ASP 153 N 2.97 0.07 0.27 3.54 5.68 -0.66 -5.02 116.55 123.40 2nnu n ASP 153 Ca -0.17 -1.09 0.10 0.00 -0.50 0.00 0.00 54.79 53.13 2nnu n ASP 153 Cb 0.53 0.06 0.70 0.00 -1.14 0.00 0.00 41.12 41.28 2nnu n ASP 153 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2nnu h TYR 154 N 1.04 0.00 0.00 2.11 3.20 -1.92 -3.04 116.97 118.36 2nnu h TYR 154 Ca -0.01 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2nnu h TYR 154 Cb 0.05 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2nnu h TYR 154 CO 0.00 0.00 -1.13 1.88 -1.64 0.00 0.00 178.16 177.27 2nnu h TYR 155 N 0.00 0.00 0.00 -3.82 -1.99 -1.96 -3.46 116.97 105.75 2nnu h TYR 155 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2nnu h TYR 155 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2nnu h TYR 155 CO 0.00 0.20 0.00 0.41 -0.00 0.00 0.00 178.16 178.77 2nnu n GLY 156 N 1.25 -0.56 3.49 3.88 0.00 -1.15 -0.75 105.19 111.35 2nnu n GLY 156 Ca -0.03 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2nnu n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnu s LEU 157 N 0.00 2.97 0.18 0.99 1.43 -0.44 -1.65 118.68 122.14 2nnu s LEU 157 Ca 0.00 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 2nnu s LEU 157 Cb 0.00 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2nnu s LEU 157 CO 0.00 0.27 0.27 -0.72 0.23 0.00 0.00 176.35 176.40 2nnu s TYR 158 N -0.25 0.53 0.16 0.29 -0.85 -0.28 -0.62 117.35 116.33 2nnu s TYR 158 Ca 0.03 -0.88 0.02 0.00 -0.52 0.00 0.00 57.07 55.72 2nnu s TYR 158 Cb -0.13 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 2nnu s TYR 158 CO 0.03 -0.73 -0.01 1.52 -1.52 0.00 0.00 175.55 174.84 2nnu s TYR 159 N -4.01 1.16 -0.18 -3.49 1.13 -0.49 0.24 117.35 111.72 2nnu s TYR 159 Ca 0.21 -0.99 -0.00 0.00 -1.41 0.00 0.00 57.07 54.88 2nnu s TYR 159 Cb 0.04 -0.66 0.01 0.00 -1.10 0.00 0.00 41.96 40.24 2nnu s TYR 159 CO 0.03 -0.19 -0.16 0.08 -2.51 0.00 0.00 175.55 172.80 2nnu s VAL 160 N -3.63 2.48 -0.10 -3.49 1.01 -1.26 -0.98 120.40 114.42 2nnu s VAL 160 Ca 0.22 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2nnu s VAL 160 Cb 0.06 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2nnu s VAL 160 CO 0.02 0.51 -0.09 -2.28 0.00 0.00 0.00 175.10 173.26 2nnu s HIS 161 N 1.17 1.48 -1.49 5.22 5.04 -0.53 -4.79 115.29 121.40 2nnu s HIS 161 Ca 0.01 -0.69 -0.10 0.00 -1.54 0.00 0.00 55.06 52.74 2nnu s HIS 161 Cb -0.14 -1.19 0.07 0.00 0.04 0.00 0.00 32.58 31.36 2nnu s HIS 161 CO -0.07 -0.45 0.90 0.39 -2.34 0.00 0.00 174.74 173.17 2nnu n GLU 162 N 4.61 -5.26 -0.96 2.88 1.02 -1.26 -1.45 120.64 120.22 2nnu n GLU 162 Ca -0.16 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2nnu n GLU 162 Cb 0.50 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 2nnu n GLU 162 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nnu n GLY 163 N -1.67 0.60 3.38 0.62 0.00 -1.26 -5.00 105.19 101.85 2nnu n GLY 163 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2nnu n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nnu s ILE 164 N -2.59 3.45 -0.26 -0.61 1.01 -0.53 -5.07 121.20 116.60 2nnu s ILE 164 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 2nnu s ILE 164 Cb 0.00 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 2nnu s ILE 164 CO 0.00 0.46 0.60 -0.60 0.00 0.00 0.00 174.94 175.40 2nnu s ARG 165 N 0.92 4.09 -0.19 2.79 3.52 -1.26 -1.45 118.95 127.37 2nnu s ARG 165 Ca -0.01 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 2nnu s ARG 165 Cb -0.15 -3.65 0.03 0.00 -1.56 0.00 0.00 34.95 29.62 2nnu s ARG 165 CO 0.01 -0.40 -0.18 0.99 -0.81 0.00 0.00 175.30 174.90 2nnu s THR 166 N 2.46 2.12 -0.04 4.11 2.01 -0.16 -4.99 115.64 121.15 2nnu s THR 166 Ca 0.25 -1.04 -0.25 0.00 0.31 0.00 0.00 61.69 60.96 2nnu s THR 166 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 2nnu s THR 166 CO 0.09 0.44 0.76 -0.31 -0.69 0.00 0.00 174.62 174.91 2nnu s TYR 167 N 1.27 3.61 -0.43 4.92 1.51 -1.26 -1.39 117.35 125.57 2nnu s TYR 167 Ca 0.03 1.36 0.12 0.00 -1.01 0.00 0.00 57.07 57.57 2nnu s TYR 167 Cb -0.14 -2.86 -0.15 0.00 -0.11 0.00 0.00 41.96 38.69 2nnu s TYR 167 CO -0.11 0.09 0.46 1.97 -1.11 0.00 0.00 175.55 176.85 2nnu n PHE 168 N 3.68 0.00 -4.28 2.71 1.16 0.21 -4.88 117.46 116.06 2nnu n PHE 168 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.38 2nnu n PHE 168 Cb 0.51 -0.08 -0.16 0.00 -1.61 0.00 0.00 39.48 38.15 2nnu n PHE 168 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2nnu s VAL 169 N -2.36 0.65 -0.22 1.97 1.01 -1.08 -4.80 120.40 115.56 2nnu s VAL 169 Ca 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2nnu s VAL 169 Cb 0.09 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.90 2nnu s VAL 169 CO 0.51 0.23 -0.15 -1.10 0.00 0.00 0.00 175.10 174.59 2nnu s GLN 170 N 0.50 2.58 0.51 2.72 -0.21 -1.26 -1.33 119.66 123.16 2nnu s GLN 170 Ca -0.07 -1.11 0.24 0.00 0.02 0.00 0.00 55.36 54.43 2nnu s GLN 170 Cb -0.11 -2.74 1.35 0.00 1.00 0.00 0.00 33.01 32.51 2nnu s GLN 170 CO 0.01 -0.41 2.06 0.74 -2.12 0.00 0.00 175.29 175.57 2nnu h PHE 171 N 7.85 0.00 0.00 0.91 0.04 -1.26 -1.76 116.94 122.71 2nnu h PHE 171 Ca -0.31 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.45 2nnu h PHE 171 Cb 1.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 2nnu h PHE 171 CO 0.56 0.13 -0.01 1.57 -0.60 0.00 0.00 178.31 179.96 2nnu h LYS 172 N 0.00 0.00 -0.34 1.51 2.10 -1.93 -1.42 116.57 116.49 2nnu h LYS 172 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2nnu h LYS 172 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 2nnu h LYS 172 CO 0.02 0.01 0.12 -0.44 -2.00 0.00 0.00 179.45 177.17 2nnu h ASP 173 N 0.00 0.47 0.51 7.07 3.45 -1.70 -0.86 116.42 125.35 2nnu h ASP 173 Ca -0.00 -0.18 -0.18 0.00 0.43 0.00 0.00 57.03 57.10 2nnu h ASP 173 Cb 0.04 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 2nnu h ASP 173 CO 0.00 0.53 -0.78 0.44 -1.57 0.00 0.00 179.24 177.86 2nnu h ASP 174 N 0.39 0.26 -0.84 6.45 3.32 -1.59 -2.92 116.42 121.49 2nnu h ASP 174 Ca 0.11 -0.19 0.08 0.00 0.02 0.00 0.00 57.03 57.05 2nnu h ASP 174 Cb 0.21 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 2nnu h ASP 174 CO -0.01 0.94 0.50 0.00 -1.72 0.00 0.00 179.24 178.96 2nnu h ALA 175 N 1.05 1.17 -0.12 3.45 0.00 -1.04 0.05 119.26 123.82 2nnu h ALA 175 Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2nnu h ALA 175 Cb 1.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2nnu h ALA 175 CO 0.12 0.20 -0.31 0.93 0.00 0.00 0.00 179.25 180.18 2nnu h GLU 176 N 0.89 0.22 0.09 0.00 5.08 -1.05 0.11 114.58 119.92 2nnu h GLU 176 Ca 0.38 -0.08 -0.26 0.00 -1.00 0.00 0.00 59.36 58.40 2nnu h GLU 176 Cb 0.25 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.51 2nnu h GLU 176 CO -0.20 0.52 -1.07 -0.22 -1.00 0.00 0.00 179.01 177.03 2nnu h LYS 177 N 0.20 0.56 0.00 2.33 3.64 -1.20 -3.40 116.57 118.70 2nnu h LYS 177 Ca 0.03 -0.73 -0.10 0.00 -1.27 0.00 0.00 60.65 58.58 2nnu h LYS 177 Cb 0.65 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2nnu h LYS 177 CO 0.05 1.32 -1.70 0.66 -2.27 0.00 0.00 179.45 177.51 2nnu n TYR 178 N -3.91 0.00 -4.48 1.91 4.01 -0.06 -5.05 117.16 109.58 2nnu n TYR 178 Ca -0.13 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.37 2nnu n TYR 178 Cb 0.91 -0.43 -0.10 0.00 -0.31 0.00 0.00 39.34 39.40 2nnu n TYR 178 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2nnu s SER 179 N -3.95 3.69 0.00 7.72 0.15 0.38 -5.02 113.70 116.67 2nnu s SER 179 Ca -0.05 -1.06 0.28 0.00 0.70 0.00 0.00 55.95 55.82 2nnu s SER 179 Cb 0.06 -0.34 1.01 0.00 -1.71 0.00 0.00 66.02 65.04 2nnu s SER 179 CO 0.51 -0.04 1.73 0.29 1.20 0.00 0.00 173.24 176.94 2nnu n LYS 180 N -0.69 0.66 -4.35 5.44 5.02 -1.26 -4.67 118.16 118.31 2nnu n LYS 180 Ca -0.05 -0.30 -0.18 0.00 -2.02 0.00 0.00 58.31 55.76 2nnu n LYS 180 Cb 0.61 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 2nnu n LYS 180 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2nnu s ASN 181 N -2.54 2.44 -0.40 4.39 0.02 -1.26 -5.04 114.94 112.55 2nnu s ASN 181 Ca 0.25 -1.08 0.06 0.00 -1.02 0.00 0.00 52.86 51.08 2nnu s ASN 181 Cb 0.20 -0.11 0.69 0.00 0.02 0.00 0.00 41.25 42.04 2nnu s ASN 181 CO 0.51 -0.27 1.86 0.29 0.02 0.00 0.00 177.10 179.51 2nnu n LYS 182 N -0.41 2.75 -4.49 -0.60 5.02 -1.26 -4.73 118.16 114.45 2nnu n LYS 182 Ca -0.07 -3.05 -0.34 0.00 -2.02 0.00 0.00 58.31 52.83 2nnu n LYS 182 Cb 0.61 -2.18 -0.14 0.00 -0.02 0.00 0.00 35.03 33.31 2nnu n LYS 182 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2nnu s VAL 183 N -3.19 3.38 0.32 -0.18 1.01 -1.26 -5.07 120.40 115.42 2nnu s VAL 183 Ca 0.56 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2nnu s VAL 183 Cb 0.46 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2nnu s VAL 183 CO 0.11 0.50 0.50 -1.66 0.00 0.00 0.00 175.10 174.55 2nnu s TRP 184 N 0.56 0.82 -0.05 5.22 -2.14 -1.26 -1.18 118.94 120.92 2nnu s TRP 184 Ca -0.06 -1.13 0.02 0.00 2.66 0.00 0.00 56.10 57.60 2nnu s TRP 184 Cb -0.15 0.06 0.01 0.00 -3.10 0.00 0.00 33.47 30.29 2nnu s TRP 184 CO 0.03 -1.14 -0.09 -1.21 -2.66 0.00 0.00 176.95 171.88 2nnu s GLU 185 N -3.20 1.24 -0.19 3.25 2.02 -0.47 -4.31 118.70 117.04 2nnu s GLU 185 Ca 0.27 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.91 2nnu s GLU 185 Cb -0.01 -1.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.09 2nnu s GLU 185 CO 0.17 0.01 0.05 0.08 0.02 0.00 0.00 175.26 175.59 2nnu s VAL 186 N 0.65 4.59 -0.26 2.63 1.01 -0.60 -1.15 120.40 127.27 2nnu s VAL 186 Ca -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2nnu s VAL 186 Cb -0.14 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2nnu s VAL 186 CO 0.02 0.44 -0.05 -1.00 0.00 0.00 0.00 175.10 174.50 2nnu s HIS 187 N 0.64 3.12 -0.05 5.22 3.76 0.13 -0.59 115.29 127.52 2nnu s HIS 187 Ca 0.03 -1.69 0.07 0.00 -0.15 0.00 0.00 55.06 53.31 2nnu s HIS 187 Cb -0.13 -2.06 0.11 0.00 1.11 0.00 0.00 32.58 31.61 2nnu s HIS 187 CO 0.02 -0.76 1.03 0.00 -0.85 0.00 0.00 174.74 174.18 2nnu n ALA 188 N 4.64 2.05 0.00 -1.40 0.00 -1.16 -0.82 120.51 123.82 2nnu n ALA 188 Ca -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.69 2nnu n ALA 188 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2nnu n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnu n GLY 189 N -0.81 1.08 0.91 0.00 0.00 -1.26 -4.87 105.19 100.24 2nnu n GLY 189 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2nnu n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnu n GLY 190 N 0.00 3.14 3.26 -0.02 0.00 -1.26 -5.03 105.19 105.28 2nnu n GLY 190 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2nnu n GLY 190 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2nnu s GLN 191 N -0.39 1.11 -0.05 1.61 0.74 -1.26 -5.15 119.66 116.27 2nnu s GLN 191 Ca 0.00 -1.49 0.04 0.00 0.05 0.00 0.00 55.36 53.96 2nnu s GLN 191 Cb 0.00 -0.63 -0.02 0.00 1.10 0.00 0.00 33.01 33.45 2nnu s GLN 191 CO 0.00 0.05 -0.16 0.54 -0.55 0.00 0.00 175.29 175.17 2nnu s VAL 192 N -3.33 2.92 -0.20 1.34 0.11 -1.26 -2.99 120.40 116.99 2nnu s VAL 192 Ca 0.19 -0.77 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2nnu s VAL 192 Cb 0.03 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 2nnu s VAL 192 CO 0.02 0.59 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.74 2nnu s ILE 193 N -0.64 3.85 0.35 7.04 1.01 0.24 -4.95 121.20 128.10 2nnu s ILE 193 Ca 0.10 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.48 2nnu s ILE 193 Cb -0.11 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 2nnu s ILE 193 CO 0.01 0.43 0.28 -0.76 0.00 0.00 0.00 174.94 174.89 2nnu s LEU 194 N 1.07 3.48 0.07 2.97 1.43 -1.26 -1.55 118.68 124.89 2nnu s LEU 194 Ca 0.02 -0.61 -0.32 0.00 -1.03 0.00 0.00 54.13 52.20 2nnu s LEU 194 Cb -0.14 -2.07 -0.11 0.00 0.03 0.00 0.00 46.19 43.89 2nnu s LEU 194 CO 0.01 -0.40 1.86 0.00 0.23 0.00 0.00 176.35 178.05 2nnu n PRO 196 N 6.12 0.46 -4.49 0.00 -0.04 -1.26 -4.92 135.00 130.87 2nnu n PRO 196 Ca 0.19 -0.15 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 2nnu n PRO 196 Cb 0.36 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 2nnu n PRO 196 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2nnu s THR 197 N -2.64 1.95 0.55 0.52 -4.23 -1.26 -5.12 115.64 105.41 2nnu s THR 197 Ca 0.24 -1.90 -0.20 0.00 -1.18 0.00 0.00 61.69 58.65 2nnu s THR 197 Cb 0.20 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 2nnu s THR 197 CO 0.51 0.00 1.17 -0.44 -0.54 0.00 0.00 174.62 175.32 2nnu s SER 198 N -3.80 5.56 -0.05 3.99 0.01 -1.26 -5.03 113.70 113.11 2nnu s SER 198 Ca 0.33 2.29 0.06 0.00 1.31 0.00 0.00 55.95 59.93 2nnu s SER 198 Cb 0.07 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2nnu s SER 198 CO 0.17 -1.34 -0.23 -0.69 0.41 0.00 0.00 173.24 171.56 2nnu s VAL 199 N -1.66 1.92 0.00 3.43 1.01 -1.26 -5.20 120.40 118.64 2nnu s VAL 199 Ca 0.74 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2nnu s VAL 199 Cb -0.27 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2nnu s VAL 199 CO 0.31 0.54 0.22 0.49 0.00 0.00 0.00 175.10 176.65