#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmh s ASP 2 N 0.00 3.33 0.56 7.83 1.47 -1.26 -5.00 116.67 123.59 2pmh s ASP 2 Ca 0.00 -1.61 0.27 0.00 1.18 0.00 0.00 52.55 52.39 2pmh s ASP 2 Cb 0.00 0.37 1.47 0.00 -0.34 0.00 0.00 42.92 44.41 2pmh s ASP 2 CO 0.00 -0.82 1.98 -0.33 0.68 0.00 0.00 175.17 176.68 2pmh h GLU 3 N 1.66 0.00 -0.31 2.11 5.08 -2.06 -0.60 114.58 120.46 2pmh h GLU 3 Ca -0.40 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.81 2pmh h GLU 3 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2pmh h GLU 3 CO 0.67 0.00 -0.39 0.82 -1.00 0.00 0.00 179.01 179.11 2pmh h ILE 4 N 0.00 1.29 -0.74 3.13 1.08 -2.00 -2.77 117.51 117.50 2pmh h ILE 4 Ca 0.23 -1.57 -0.02 0.00 -0.39 0.00 0.00 64.86 63.11 2pmh h ILE 4 Cb 1.02 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 2pmh h ILE 4 CO -0.00 0.51 0.39 0.44 -0.69 0.00 0.00 178.15 178.80 2pmh h ASP 5 N 0.59 0.93 -0.96 1.72 3.32 -1.50 -1.80 116.42 118.71 2pmh h ASP 5 Ca 0.04 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2pmh h ASP 5 Cb 0.98 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 2pmh h ASP 5 CO 0.09 0.77 0.64 -0.07 -1.72 0.00 0.00 179.24 178.96 2pmh h LEU 6 N 1.02 1.10 -0.70 1.55 3.38 -1.44 0.22 115.31 120.44 2pmh h LEU 6 Ca 0.26 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2pmh h LEU 6 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2pmh h LEU 6 CO -0.04 0.80 -0.13 0.03 0.09 0.00 0.00 178.44 179.19 2pmh h ARG 7 N 1.30 0.87 -0.03 1.13 2.47 -1.17 0.14 114.38 119.09 2pmh h ARG 7 Ca 0.36 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2pmh h ARG 7 Cb -0.14 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.12 2pmh h ARG 7 CO -0.08 0.95 -0.00 0.82 0.56 0.00 0.00 179.97 182.22 2pmh h ILE 8 N 0.78 1.26 -0.79 2.04 2.04 -0.55 -3.10 117.51 119.18 2pmh h ILE 8 Ca 0.12 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2pmh h ILE 8 Cb 0.65 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2pmh h ILE 8 CO 0.05 0.21 0.47 -0.07 0.00 0.00 0.00 178.15 178.81 2pmh h LEU 9 N -0.26 0.95 -2.07 1.44 3.38 -0.44 -1.35 115.31 116.97 2pmh h LEU 9 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2pmh h LEU 9 Cb 0.34 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pmh h LEU 9 CO 0.00 0.74 0.00 0.50 0.09 0.00 0.00 178.44 179.77 2pmh h LYS 10 N 1.09 0.00 0.01 1.13 3.64 -0.65 -0.98 116.57 120.81 2pmh h LYS 10 Ca 0.28 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.35 2pmh h LYS 10 Cb -0.04 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2pmh h LYS 10 CO -0.05 0.00 -1.73 -0.89 -2.27 0.00 0.00 179.45 174.51 2pmh n ILE 11 N -2.73 1.55 0.28 2.00 5.41 -0.60 -4.32 119.36 120.95 2pmh n ILE 11 Ca -0.02 -0.20 0.15 0.00 1.00 0.00 0.00 62.75 63.69 2pmh n ILE 11 Cb 0.10 -1.95 0.82 0.00 -0.71 0.00 0.00 39.64 37.90 2pmh n ILE 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2pmh h LEU 12 N -0.87 0.00 -0.89 1.39 3.38 -0.91 -0.37 115.31 117.04 2pmh h LEU 12 Ca -0.46 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 2pmh h LEU 12 Cb 1.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2pmh h LEU 12 CO -0.24 0.07 -0.24 0.06 0.09 0.00 0.00 178.44 178.18 2pmh h GLN 13 N 0.00 0.00 0.01 1.13 3.07 -1.39 -3.28 115.11 114.66 2pmh h GLN 13 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.37 2pmh h GLN 13 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.79 2pmh h GLN 13 CO 0.01 0.24 -2.05 0.66 0.09 0.00 0.00 178.83 177.78 2pmh n TYR 14 N -3.34 0.47 -3.46 0.06 4.01 -0.65 -4.62 117.16 109.64 2pmh n TYR 14 Ca 0.01 0.18 -0.19 0.00 -0.16 0.00 0.00 57.90 57.73 2pmh n TYR 14 Cb 0.48 -1.05 -0.12 0.00 -0.31 0.00 0.00 39.34 38.34 2pmh n TYR 14 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2pmh s ASN 15 N -7.13 1.77 0.00 7.72 3.84 -0.24 -4.98 114.94 115.92 2pmh s ASN 15 Ca -0.34 -0.58 0.24 0.00 0.21 0.00 0.00 52.86 52.39 2pmh s ASN 15 Cb 0.10 0.35 1.03 0.00 -0.55 0.00 0.00 41.25 42.19 2pmh s ASN 15 CO 0.56 -0.37 1.71 0.00 -2.79 0.00 0.00 177.10 176.22 2pmh n ALA 16 N 5.31 2.57 -0.79 1.71 0.00 -1.23 -3.75 120.51 124.32 2pmh n ALA 16 Ca -0.04 -0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.07 2pmh n ALA 16 Cb 0.47 -1.19 0.39 0.00 0.00 0.00 0.00 19.45 19.12 2pmh n ALA 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2pmh n LYS 17 N -0.03 4.56 -1.70 0.00 3.00 -1.26 -4.97 118.16 117.76 2pmh n LYS 17 Ca 0.18 -3.05 -0.31 0.00 -0.00 0.00 0.00 58.31 55.13 2pmh n LYS 17 Cb 0.28 -2.17 0.03 0.00 0.00 0.00 0.00 35.03 33.17 2pmh n LYS 17 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2pmh s TYR 18 N -2.50 3.28 0.15 5.64 2.02 -1.25 -5.04 117.35 119.65 2pmh s TYR 18 Ca 0.53 1.38 -0.17 0.00 -0.37 0.00 0.00 57.07 58.45 2pmh s TYR 18 Cb 0.39 -2.83 -0.07 0.00 -0.40 0.00 0.00 41.96 39.05 2pmh s TYR 18 CO 0.18 -1.04 0.60 -1.54 -1.57 0.00 0.00 175.55 172.18 2pmh s SER 19 N -3.86 6.95 0.43 2.29 1.04 -1.26 -4.96 113.70 114.32 2pmh s SER 19 Ca 0.57 1.21 0.15 0.00 0.48 0.00 0.00 55.95 58.37 2pmh s SER 19 Cb -0.13 -2.34 1.05 0.00 0.10 0.00 0.00 66.02 64.70 2pmh s SER 19 CO 0.54 0.13 1.94 -0.07 0.98 0.00 0.00 173.24 176.75 2pmh h LEU 20 N 3.78 0.38 -0.34 2.42 3.38 -1.98 -0.81 115.31 122.15 2pmh h LEU 20 Ca -0.49 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 2pmh h LEU 20 Cb 1.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2pmh h LEU 20 CO 0.65 0.21 -0.03 0.44 0.09 0.00 0.00 178.44 179.80 2pmh h ASP 21 N 0.41 0.61 -0.54 -0.43 3.32 -1.96 0.48 116.42 118.31 2pmh h ASP 21 Ca 0.34 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2pmh h ASP 21 Cb 0.76 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2pmh h ASP 21 CO -0.11 0.79 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.84 2pmh h GLU 22 N 0.41 1.01 0.09 3.56 5.08 -1.71 0.00 114.58 123.02 2pmh h GLU 22 Ca 0.09 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2pmh h GLU 22 Cb 0.50 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2pmh h GLU 22 CO 0.02 1.01 -0.04 0.82 -1.00 0.00 0.00 179.01 179.81 2pmh h ILE 23 N 0.91 1.13 -0.27 3.13 2.04 -1.05 -1.67 117.51 121.73 2pmh h ILE 23 Ca 0.16 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.15 2pmh h ILE 23 Cb 0.58 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2pmh h ILE 23 CO 0.03 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.60 2pmh h ALA 24 N 0.27 2.17 0.00 1.87 0.00 0.02 -0.49 119.26 123.10 2pmh h ALA 24 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2pmh h ALA 24 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2pmh h ALA 24 CO 0.02 -0.24 -0.90 -0.09 0.00 0.00 0.00 179.25 178.04 2pmh h ARG 25 N 0.07 0.00 0.19 0.00 2.43 -0.87 0.37 114.38 116.57 2pmh h ARG 25 Ca 0.13 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.99 2pmh h ARG 25 Cb 0.42 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2pmh h ARG 25 CO -0.01 0.90 -1.35 1.49 -1.51 0.00 0.00 179.97 179.49 2pmh h GLU 26 N 0.00 0.51 0.00 0.20 4.57 -0.24 -3.32 114.58 116.30 2pmh h GLU 26 Ca -0.01 -0.79 0.00 0.00 -1.18 0.00 0.00 59.36 57.38 2pmh h GLU 26 Cb 1.61 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 30.48 2pmh h GLU 26 CO 0.12 1.37 -0.75 -0.84 -1.18 0.00 0.00 179.01 177.73 2pmh h ILE 27 N 0.17 0.00 -3.84 2.32 3.07 -1.22 -3.49 117.51 114.52 2pmh h ILE 27 Ca -0.21 -0.65 -0.13 0.00 1.55 0.00 0.00 64.86 65.42 2pmh h ILE 27 Cb 2.04 1.20 0.08 0.00 -0.27 0.00 0.00 36.82 39.87 2pmh h ILE 27 CO 0.25 0.00 -0.36 0.54 -1.05 0.00 0.00 178.15 177.53 2pmh n ARG 28 N -2.29 -2.12 -3.85 0.16 5.12 0.06 -5.07 116.66 108.66 2pmh n ARG 28 Ca 0.02 0.38 -0.09 0.00 -1.93 0.00 0.00 57.85 56.23 2pmh n ARG 28 Cb 0.47 -3.77 -0.08 0.00 -1.16 0.00 0.00 32.46 27.93 2pmh n ARG 28 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2pmh s ILE 29 N -3.17 0.13 -0.13 0.55 -4.36 -0.82 -5.05 121.20 108.35 2pmh s ILE 29 Ca 0.09 -1.07 -0.36 0.00 -0.26 0.00 0.00 60.65 59.05 2pmh s ILE 29 Cb -0.01 -1.16 -0.13 0.00 1.25 0.00 0.00 42.46 42.41 2pmh s ILE 29 CO 0.33 -0.59 1.84 -2.65 0.24 0.00 0.00 174.94 174.11 2pmh n PRO 30 N 0.25 1.89 -0.12 0.37 -0.02 -1.26 -4.71 135.00 131.41 2pmh n PRO 30 Ca -0.17 0.69 0.27 0.00 -2.02 0.00 0.00 63.50 62.28 2pmh n PRO 30 Cb 0.61 -2.49 0.71 0.00 -0.02 0.00 0.00 33.50 32.31 2pmh n PRO 30 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2pmh h LYS 31 N 8.58 0.00 -0.23 -0.52 3.64 -1.91 0.59 116.57 126.71 2pmh h LYS 31 Ca -0.48 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.76 2pmh h LYS 31 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2pmh h LYS 31 CO 0.95 0.00 -0.44 0.66 -2.27 0.00 0.00 179.45 178.35 2pmh h SER 32 N 0.00 0.61 -0.01 4.20 4.64 -1.98 -2.59 113.55 118.42 2pmh h SER 32 Ca 0.39 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2pmh h SER 32 Cb 1.75 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2pmh h SER 32 CO -0.00 0.97 -0.15 0.74 -0.87 0.00 0.00 176.83 177.52 2pmh h THR 33 N 0.46 1.53 -0.69 2.95 2.02 -0.22 -2.87 112.91 116.09 2pmh h THR 33 Ca 0.03 -1.76 0.14 0.00 0.77 0.00 0.00 66.41 65.59 2pmh h THR 33 Cb 0.95 2.64 -0.13 0.00 -1.74 0.00 0.00 68.15 69.87 2pmh h THR 33 CO 0.08 0.48 -0.16 0.25 0.37 0.00 0.00 175.52 176.54 2pmh h LEU 34 N -0.52 -0.63 -1.14 2.58 5.85 -1.28 0.60 115.31 120.77 2pmh h LEU 34 Ca -0.01 0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2pmh h LEU 34 Cb 0.86 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 2pmh h LEU 34 CO 0.03 -0.23 0.59 -1.28 -0.34 0.00 0.00 178.44 177.22 2pmh h SER 35 N 0.00 0.93 0.04 1.25 0.87 -1.48 -0.22 113.55 114.95 2pmh h SER 35 Ca 0.33 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2pmh h SER 35 Cb 0.51 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2pmh h SER 35 CO -0.71 0.60 -0.02 0.22 -0.53 0.00 0.00 176.83 176.39 2pmh h TYR 36 N 1.06 -0.06 -0.51 2.24 3.20 0.27 -1.77 116.97 121.40 2pmh h TYR 36 Ca 0.38 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.32 2pmh h TYR 36 Cb 0.16 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 2pmh h TYR 36 CO -0.00 0.26 0.18 0.00 -1.64 0.00 0.00 178.16 176.96 2pmh h ARG 37 N -0.37 0.35 -0.69 1.82 3.08 -0.22 0.15 114.38 118.50 2pmh h ARG 37 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2pmh h ARG 37 Cb 0.34 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2pmh h ARG 37 CO 0.01 0.23 0.41 0.82 -1.07 0.00 0.00 179.97 180.37 2pmh h ILE 38 N 0.36 1.20 -0.50 2.04 2.04 -1.03 0.18 117.51 121.80 2pmh h ILE 38 Ca 0.24 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 2pmh h ILE 38 Cb 0.26 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2pmh h ILE 38 CO -0.25 0.21 0.06 0.11 0.00 0.00 0.00 178.15 178.28 2pmh h LYS 39 N 0.94 0.79 -0.27 2.37 1.57 -0.45 -2.28 116.57 119.25 2pmh h LYS 39 Ca 0.25 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2pmh h LYS 39 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2pmh h LYS 39 CO -0.05 0.77 0.03 -0.22 -0.57 0.00 0.00 179.45 179.41 2pmh h LYS 40 N 0.75 0.46 -0.72 3.15 3.64 -0.00 -2.48 116.57 121.37 2pmh h LYS 40 Ca 0.16 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2pmh h LYS 40 Cb 0.38 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2pmh h LYS 40 CO 0.01 0.59 0.47 -0.07 -2.27 0.00 0.00 179.45 178.18 2pmh h LEU 41 N 0.26 0.66 -0.25 5.20 3.38 -0.75 0.48 115.31 124.29 2pmh h LEU 41 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2pmh h LEU 41 Cb 0.36 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2pmh h LEU 41 CO 0.01 0.43 -0.07 -0.33 0.09 0.00 0.00 178.44 178.57 2pmh h GLU 42 N 0.75 0.49 -0.35 1.13 5.08 -1.18 0.44 114.58 120.93 2pmh h GLU 42 Ca 0.31 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2pmh h GLU 42 Cb 0.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2pmh h GLU 42 CO -0.10 0.72 -0.16 0.87 -1.00 0.00 0.00 179.01 179.34 2pmh h LYS 43 N 0.23 0.73 0.00 2.33 1.79 -0.96 -2.61 116.57 118.08 2pmh h LYS 43 Ca 0.06 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2pmh h LYS 43 Cb 0.55 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2pmh h LYS 43 CO 0.03 0.92 0.00 -0.25 -1.08 0.00 0.00 179.45 179.07 2pmh n ASP 44 N -4.33 0.00 0.00 0.86 9.92 0.11 -4.86 116.55 118.26 2pmh n ASP 44 Ca -0.02 -0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 2pmh n ASP 44 Cb 0.39 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 2pmh n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pmh n GLY 45 N -0.19 0.70 0.12 0.44 0.00 -0.98 -4.94 105.19 100.33 2pmh n GLY 45 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2pmh n GLY 45 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pmh h VAL 46 N 0.00 1.03 -3.43 1.61 2.07 -1.15 -3.38 116.25 113.00 2pmh h VAL 46 Ca 0.00 -0.94 -0.68 0.00 0.82 0.00 0.00 66.70 65.90 2pmh h VAL 46 Cb 0.00 1.59 -0.17 0.00 -1.52 0.00 0.00 31.29 31.18 2pmh h VAL 46 CO 0.00 0.21 0.01 -0.63 0.02 0.00 0.00 177.57 177.18 2pmh s ILE 47 N -4.22 4.91 -0.34 4.57 1.01 -1.00 -4.91 121.20 121.23 2pmh s ILE 47 Ca -0.14 -0.27 0.21 0.00 0.00 0.00 0.00 60.65 60.45 2pmh s ILE 47 Cb 0.02 -4.21 0.20 0.00 0.01 0.00 0.00 42.46 38.48 2pmh s ILE 47 CO 0.58 -0.65 1.42 0.11 0.00 0.00 0.00 174.94 176.41 2pmh h LYS 48 N 8.89 0.00 0.00 2.79 1.57 -1.88 -3.39 116.57 124.55 2pmh h LYS 48 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2pmh h LYS 48 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2pmh h LYS 48 CO 0.90 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.28 2pmh n GLY 49 N 1.15 -0.92 3.14 3.86 0.00 -1.26 -5.14 105.19 106.02 2pmh n GLY 49 Ca 0.02 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 2pmh n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pmh s TYR 50 N -2.00 1.97 0.13 1.61 2.02 -1.26 -5.14 117.35 114.69 2pmh s TYR 50 Ca 0.00 -0.71 0.08 0.00 -0.37 0.00 0.00 57.07 56.07 2pmh s TYR 50 Cb 0.00 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2pmh s TYR 50 CO 0.00 -0.29 -0.18 0.71 -1.57 0.00 0.00 175.55 174.22 2pmh s TYR 51 N 0.32 1.72 -0.09 2.71 4.12 -1.26 -5.12 117.35 119.74 2pmh s TYR 51 Ca -0.12 -0.47 -0.20 0.00 0.02 0.00 0.00 57.07 56.31 2pmh s TYR 51 Cb -0.15 -0.89 -0.04 0.00 -1.52 0.00 0.00 41.96 39.35 2pmh s TYR 51 CO 0.05 0.25 0.54 0.00 0.02 0.00 0.00 175.55 176.41 2pmh s ALA 52 N -1.75 3.45 -0.54 3.71 0.00 -1.26 -5.02 121.76 120.35 2pmh s ALA 52 Ca 0.11 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.74 2pmh s ALA 52 Cb -0.07 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.37 2pmh s ALA 52 CO 0.05 0.00 0.89 -0.47 0.00 0.00 0.00 175.76 176.23 2pmh s TYR 53 N 0.56 2.84 -0.13 0.00 5.04 -1.26 -5.02 117.35 119.38 2pmh s TYR 53 Ca 0.29 -0.08 -0.13 0.00 -2.44 0.00 0.00 57.07 54.71 2pmh s TYR 53 Cb -0.16 -3.97 -0.05 0.00 0.35 0.00 0.00 41.96 38.13 2pmh s TYR 53 CO 0.13 -1.28 0.30 0.42 -1.34 0.00 0.00 175.55 173.78 2pmh s ILE 54 N 3.72 5.28 -0.30 3.14 1.01 -1.26 -5.04 121.20 127.74 2pmh s ILE 54 Ca 0.28 0.58 -0.29 0.00 0.00 0.00 0.00 60.65 61.22 2pmh s ILE 54 Cb -0.13 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2pmh s ILE 54 CO 0.18 0.44 1.48 0.21 0.00 0.00 0.00 174.94 177.25 2pmh s ASN 55 N 0.07 6.43 0.41 3.58 2.47 -1.26 -4.90 114.94 121.75 2pmh s ASN 55 Ca 0.18 1.28 0.18 0.00 0.42 0.00 0.00 52.86 54.92 2pmh s ASN 55 Cb -0.14 -2.54 1.09 0.00 -1.45 0.00 0.00 41.25 38.22 2pmh s ASN 55 CO 0.06 -1.27 1.82 -0.65 -3.72 0.00 0.00 177.10 173.34 2pmh h PRO 56 N 10.39 0.39 -0.56 0.43 0.11 -1.96 0.38 132.00 141.18 2pmh h PRO 56 Ca -0.30 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 2pmh h PRO 56 Cb 1.12 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2pmh h PRO 56 CO 1.03 0.26 0.20 0.00 -0.21 0.00 0.00 178.00 179.28 2pmh h ALA 57 N 1.61 1.30 0.00 -0.75 0.00 -1.91 -0.43 119.26 119.08 2pmh h ALA 57 Ca 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pmh h ALA 57 Cb 1.31 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2pmh h ALA 57 CO -0.22 0.51 -0.00 0.77 0.00 0.00 0.00 179.25 180.31 2pmh h SER 58 N 0.80 0.00 -0.52 0.00 0.02 -1.31 0.19 113.55 112.74 2pmh h SER 58 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2pmh h SER 58 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2pmh h SER 58 CO -0.01 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.86 2pmh n LEU 59 N -3.19 3.75 -1.93 5.07 4.77 -0.25 -4.95 117.00 120.27 2pmh n LEU 59 Ca -0.03 -2.22 -0.19 0.00 -0.03 0.00 0.00 56.01 53.55 2pmh n LEU 59 Cb 0.09 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2pmh n LEU 59 CO 0.22 0.82 -0.22 0.59 -1.33 0.00 0.00 177.39 177.46 2pmh n ASN 60 N 0.86 -5.39 -4.56 -1.43 5.03 0.66 -4.88 115.26 105.54 2pmh n ASN 60 Ca 0.20 0.14 -0.42 0.00 0.87 0.00 0.00 54.58 55.36 2pmh n ASN 60 Cb 0.64 -4.48 -0.02 0.00 -1.02 0.00 0.00 39.78 34.91 2pmh n ASN 60 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2pmh s LEU 61 N -5.06 3.77 -0.01 3.41 1.43 -0.71 -4.08 118.68 117.43 2pmh s LEU 61 Ca 0.00 -1.92 0.20 0.00 -1.03 0.00 0.00 54.13 51.38 2pmh s LEU 61 Cb 0.00 -2.56 -0.25 0.00 0.03 0.00 0.00 46.19 43.42 2pmh s LEU 61 CO 0.00 -1.33 0.71 -0.67 0.23 0.00 0.00 176.35 175.29 2pmh n ASP 62 N 8.46 0.74 -4.17 2.29 -0.08 -0.86 -4.59 116.55 118.34 2pmh n ASP 62 Ca 0.39 -0.65 -0.40 0.00 -1.51 0.00 0.00 54.79 52.62 2pmh n ASP 62 Cb 0.49 1.30 -0.08 0.00 2.34 0.00 0.00 41.12 45.17 2pmh n ASP 62 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2pmh s TYR 63 N -3.04 3.50 -0.20 -0.67 5.04 0.40 -4.97 117.35 117.42 2pmh s TYR 63 Ca 0.03 -2.39 -0.09 0.00 -2.44 0.00 0.00 57.07 52.19 2pmh s TYR 63 Cb 0.14 -3.40 -0.04 0.00 0.35 0.00 0.00 41.96 39.01 2pmh s TYR 63 CO 0.82 -0.91 0.10 0.42 -1.34 0.00 0.00 175.55 174.64 2pmh s ILE 64 N 0.31 5.03 0.06 3.14 -1.09 -1.26 -1.11 121.20 126.29 2pmh s ILE 64 Ca 0.15 0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.67 2pmh s ILE 64 Cb -0.19 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2pmh s ILE 64 CO -0.04 0.43 -0.12 0.68 -1.23 0.00 0.00 174.94 174.66 2pmh s VAL 65 N 0.52 0.94 -0.17 2.92 -7.23 -0.86 -0.33 120.40 116.19 2pmh s VAL 65 Ca 0.05 -1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2pmh s VAL 65 Cb -0.12 -0.94 0.04 0.00 0.56 0.00 0.00 36.38 35.92 2pmh s VAL 65 CO 0.00 -0.27 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.83 2pmh s ILE 66 N -1.32 1.19 -0.09 -0.62 1.01 -0.62 -1.62 121.20 119.14 2pmh s ILE 66 Ca -0.04 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.95 2pmh s ILE 66 Cb -0.10 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2pmh s ILE 66 CO 0.02 0.13 -0.20 -0.89 0.00 0.00 0.00 174.94 173.99 2pmh s THR 67 N 1.60 2.43 -0.16 2.92 2.01 0.21 -0.25 115.64 124.40 2pmh s THR 67 Ca 0.00 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 2pmh s THR 67 Cb -0.15 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2pmh s THR 67 CO -0.08 0.56 0.30 -0.44 -0.69 0.00 0.00 174.62 174.27 2pmh s SER 68 N 0.06 6.45 -0.11 3.53 0.01 -0.10 0.22 113.70 123.77 2pmh s SER 68 Ca -0.09 0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.71 2pmh s SER 68 Cb -0.15 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 63.91 2pmh s SER 68 CO 0.05 0.10 -0.14 -0.69 0.41 0.00 0.00 173.24 172.98 2pmh s VAL 69 N 0.46 1.38 -0.16 3.43 1.01 0.31 -0.72 120.40 126.12 2pmh s VAL 69 Ca 0.17 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2pmh s VAL 69 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2pmh s VAL 69 CO 0.04 0.42 0.13 -0.54 0.00 0.00 0.00 175.10 175.16 2pmh s LYS 70 N 1.09 3.79 0.10 2.72 1.02 0.96 -1.11 119.74 128.31 2pmh s LYS 70 Ca -0.05 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 55.79 2pmh s LYS 70 Cb -0.14 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2pmh s LYS 70 CO -0.03 0.56 0.15 0.00 -0.92 0.00 0.00 175.35 175.11 2pmh s ALA 71 N -0.38 3.74 0.51 5.17 0.00 -1.26 -0.40 121.76 129.14 2pmh s ALA 71 Ca 0.12 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 2pmh s ALA 71 Cb -0.12 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.36 2pmh s ALA 71 CO 0.01 0.69 1.07 -1.59 0.00 0.00 0.00 175.76 175.94 2pmh s LYS 72 N -2.68 3.62 0.35 0.00 -2.85 0.65 -4.71 119.74 114.11 2pmh s LYS 72 Ca 0.32 1.42 -0.11 0.00 -1.00 0.00 0.00 55.97 56.60 2pmh s LYS 72 Cb -0.12 -2.06 -0.07 0.00 -2.06 0.00 0.00 37.83 33.52 2pmh s LYS 72 CO 0.25 -0.59 0.72 0.71 0.10 0.00 0.00 175.35 176.53 2pmh s TYR 73 N -1.96 3.43 0.00 1.78 1.51 -1.26 -4.32 117.35 116.53 2pmh s TYR 73 Ca 0.69 1.05 0.00 0.00 -1.01 0.00 0.00 57.07 57.80 2pmh s TYR 73 Cb -0.19 -2.43 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 2pmh s TYR 73 CO 0.23 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.11 2pmh n GLY 74 N -0.81 2.58 7.00 0.71 0.00 -1.26 -4.98 105.19 108.43 2pmh n GLY 74 Ca 0.02 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2pmh n GLY 74 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pmh n LYS 75 N -0.42 0.00 -1.45 1.61 2.85 -1.26 -2.08 118.16 117.41 2pmh n LYS 75 Ca 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 2pmh n LYS 75 Cb 0.00 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.46 2pmh n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2pmh n ASN 76 N 2.46 1.59 -0.14 -5.58 5.15 -1.26 -4.90 115.26 112.57 2pmh n ASN 76 Ca 0.00 -2.70 -0.05 0.00 -0.60 0.00 0.00 54.58 51.23 2pmh n ASN 76 Cb 0.00 -0.39 0.04 0.00 -0.53 0.00 0.00 39.78 38.90 2pmh n ASN 76 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2pmh h TYR 77 N 1.30 0.35 0.07 1.20 0.05 -1.70 -2.43 116.97 115.81 2pmh h TYR 77 Ca -0.10 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.72 2pmh h TYR 77 Cb 1.53 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 39.13 2pmh h TYR 77 CO 0.44 0.15 -0.32 0.45 -1.05 0.00 0.00 178.16 177.84 2pmh h HIS 78 N 0.39 -0.87 -0.68 4.88 3.86 -1.80 0.57 115.15 121.50 2pmh h HIS 78 Ca 0.20 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2pmh h HIS 78 Cb 0.16 0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 2pmh h HIS 78 CO -0.13 -0.42 0.36 0.28 0.86 0.00 0.00 177.93 178.88 2pmh h VAL 79 N -0.51 1.22 -0.49 2.45 2.07 -1.96 -2.31 116.25 116.72 2pmh h VAL 79 Ca 0.04 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2pmh h VAL 79 Cb 0.57 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2pmh h VAL 79 CO -0.22 0.24 0.28 -0.33 0.02 0.00 0.00 177.57 177.56 2pmh h GLU 80 N 0.93 0.67 -0.68 1.57 5.08 -1.18 -2.70 114.58 118.26 2pmh h GLU 80 Ca 0.24 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2pmh h GLU 80 Cb 0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2pmh h GLU 80 CO -0.04 0.51 0.34 1.25 -1.00 0.00 0.00 179.01 180.07 2pmh h LEU 81 N 0.65 0.87 -0.53 1.33 5.85 -0.66 -2.29 115.31 120.52 2pmh h LEU 81 Ca 0.17 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2pmh h LEU 81 Cb 0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2pmh h LEU 81 CO -0.03 0.73 0.33 1.23 -0.34 0.00 0.00 178.44 180.36 2pmh h GLY 82 N 1.03 0.77 2.00 3.75 0.00 -1.10 -1.80 103.07 107.71 2pmh h GLY 82 Ca 0.24 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 2pmh h GLY 82 CO -0.03 0.30 -0.59 3.43 0.00 0.00 0.00 176.54 179.65 2pmh h ASN 83 N 0.72 0.00 -0.40 0.19 2.35 -1.30 -2.32 115.58 114.82 2pmh h ASN 83 Ca 0.19 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 2pmh h ASN 83 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2pmh h ASN 83 CO -0.04 0.59 -0.30 0.11 -1.65 0.00 0.00 177.43 176.14 2pmh h LYS 84 N 0.00 0.92 -0.33 0.81 1.57 -1.15 -2.86 116.57 115.52 2pmh h LYS 84 Ca -0.01 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 2pmh h LYS 84 Cb 1.07 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2pmh h LYS 84 CO 0.08 1.10 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.86 2pmh h LEU 85 N 0.74 0.56 -1.23 2.94 3.38 -1.20 -2.89 115.31 117.60 2pmh h LEU 85 Ca 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2pmh h LEU 85 Cb 0.89 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2pmh h LEU 85 CO 0.08 0.72 -0.13 0.00 0.09 0.00 0.00 178.44 179.20 2pmh h ALA 86 N 1.34 1.02 -0.18 1.53 0.00 -1.23 -2.97 119.26 118.77 2pmh h ALA 86 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pmh h ALA 86 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2pmh h ALA 86 CO 0.03 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2pmh n GLN 87 N -3.28 1.97 -2.52 0.00 10.64 -1.09 -4.89 117.38 118.21 2pmh n GLN 87 Ca 0.00 -1.45 -0.42 0.00 -1.83 0.00 0.00 57.00 53.30 2pmh n GLN 87 Cb 0.38 -1.44 -0.03 0.00 -0.86 0.00 0.00 30.24 28.29 2pmh n GLN 87 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2pmh s ILE 88 N -1.77 4.37 0.31 -0.39 1.01 -1.12 -4.97 121.20 118.63 2pmh s ILE 88 Ca 0.34 1.69 -0.29 0.00 0.00 0.00 0.00 60.65 62.39 2pmh s ILE 88 Cb 0.19 -4.08 -0.12 0.00 0.01 0.00 0.00 42.46 38.46 2pmh s ILE 88 CO 0.29 0.06 1.46 -2.65 0.00 0.00 0.00 174.94 174.10 2pmh n PRO 89 N 4.62 2.41 0.00 2.79 -0.02 -1.26 -1.86 135.00 141.69 2pmh n PRO 89 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2pmh n PRO 89 Cb 0.47 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2pmh n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pmh n GLY 90 N 1.54 3.33 3.63 -1.23 0.00 -1.26 -4.77 105.19 106.42 2pmh n GLY 90 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2pmh n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pmh s VAL 91 N -2.88 4.62 -0.29 1.61 1.01 -0.77 -1.52 120.40 122.17 2pmh s VAL 91 Ca 0.00 1.49 0.13 0.00 0.00 0.00 0.00 61.98 63.60 2pmh s VAL 91 Cb 0.00 -4.31 -0.18 0.00 0.00 0.00 0.00 36.38 31.89 2pmh s VAL 91 CO 0.00 -0.40 0.42 -2.67 0.00 0.00 0.00 175.10 172.44 2pmh n TRP 92 N 6.61 0.00 -4.13 5.22 4.27 -0.08 -4.88 117.44 124.46 2pmh n TRP 92 Ca 0.09 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.53 2pmh n TRP 92 Cb 0.47 -0.17 -0.15 0.00 -1.36 0.00 0.00 31.31 30.10 2pmh n TRP 92 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 2pmh s GLY 93 N -2.96 0.30 -0.08 -1.67 0.00 -1.01 -4.98 107.32 96.92 2pmh s GLY 93 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.56 2pmh s GLY 93 CO 0.55 0.07 0.17 0.14 0.00 0.00 0.00 173.10 174.03 2pmh s VAL 94 N 0.28 -0.20 0.01 1.40 1.01 -1.26 -0.51 120.40 121.14 2pmh s VAL 94 Ca -0.03 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2pmh s VAL 94 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2pmh s VAL 94 CO -0.00 0.12 -0.09 -0.31 0.00 0.00 0.00 175.10 174.82 2pmh s TYR 95 N 1.92 0.76 -0.18 5.22 2.02 -0.62 -4.97 117.35 121.50 2pmh s TYR 95 Ca -0.01 -0.22 -0.07 0.00 -0.37 0.00 0.00 57.07 56.39 2pmh s TYR 95 Cb -0.12 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 2pmh s TYR 95 CO -0.06 -0.02 0.06 0.12 -1.57 0.00 0.00 175.55 174.08 2pmh s PHE 96 N -0.48 3.25 0.15 2.71 5.36 -1.26 -0.70 117.98 127.01 2pmh s PHE 96 Ca 0.00 0.08 0.07 0.00 -0.96 0.00 0.00 56.93 56.12 2pmh s PHE 96 Cb -0.05 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 2pmh s PHE 96 CO 0.00 0.18 -0.15 0.14 -1.46 0.00 0.00 175.22 173.93 2pmh s VAL 97 N 0.30 1.52 0.36 3.12 -7.23 0.01 -5.00 120.40 113.48 2pmh s VAL 97 Ca 0.03 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2pmh s VAL 97 Cb -0.12 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2pmh s VAL 97 CO 0.00 -0.48 0.62 -0.76 -0.31 0.00 0.00 175.10 174.17 2pmh s LEU 98 N -2.80 3.93 0.00 1.32 1.43 -1.26 -2.34 118.68 118.96 2pmh s LEU 98 Ca 0.15 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2pmh s LEU 98 Cb -0.03 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2pmh s LEU 98 CO 0.04 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2pmh n GLY 99 N -1.62 2.28 0.42 -3.19 0.00 -1.26 -4.40 105.19 97.42 2pmh n GLY 99 Ca -0.02 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.44 2pmh n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pmh n ASP 100 N 1.40 1.41 -4.09 1.61 8.00 -1.26 -4.95 116.55 118.67 2pmh n ASP 100 Ca 0.00 -1.33 -0.39 0.00 0.71 0.00 0.00 54.79 53.78 2pmh n ASP 100 Cb 0.00 0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 2pmh n ASP 100 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pmh n ASN 101 N -0.04 -2.42 -0.43 -2.24 4.13 -1.06 -4.92 115.26 108.28 2pmh n ASN 101 Ca 0.17 -1.19 0.00 0.00 1.68 0.00 0.00 54.58 55.24 2pmh n ASN 101 Cb 0.36 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.16 2pmh n ASN 101 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2pmh n ASP 102 N -2.05 0.00 -4.66 6.41 5.68 -0.99 -4.81 116.55 116.13 2pmh n ASP 102 Ca -0.16 -0.43 -0.35 0.00 -0.50 0.00 0.00 54.79 53.36 2pmh n ASP 102 Cb 0.54 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.43 2pmh n ASP 102 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2pmh s PHE 103 N -2.58 3.13 -0.23 2.11 0.08 -0.27 -0.81 117.98 119.41 2pmh s PHE 103 Ca 0.00 0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.15 2pmh s PHE 103 Cb 0.00 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2pmh s PHE 103 CO 0.00 0.42 -0.02 0.42 -0.10 0.00 0.00 175.22 175.94 2pmh s ILE 104 N -0.77 3.52 -0.19 0.64 -1.09 0.12 -0.53 121.20 122.89 2pmh s ILE 104 Ca 0.12 -0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2pmh s ILE 104 Cb -0.11 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 2pmh s ILE 104 CO 0.02 0.37 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.33 2pmh s VAL 105 N 1.49 3.12 -0.21 2.92 1.01 0.13 -1.58 120.40 127.28 2pmh s VAL 105 Ca 0.05 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2pmh s VAL 105 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2pmh s VAL 105 CO -0.02 0.47 0.11 -0.04 0.00 0.00 0.00 175.10 175.61 2pmh s MET 106 N 1.16 4.03 0.12 2.72 1.00 0.34 -0.62 119.30 128.05 2pmh s MET 106 Ca 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 55.69 55.36 2pmh s MET 106 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 34.83 31.29 2pmh s MET 106 CO -0.03 0.18 0.12 0.00 0.00 0.00 0.00 175.02 175.30 2pmh s ALA 107 N 0.66 0.39 -0.01 3.03 0.00 -0.64 -0.90 121.76 124.30 2pmh s ALA 107 Ca 0.06 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2pmh s ALA 107 Cb -0.13 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2pmh s ALA 107 CO 0.01 -0.51 0.00 1.03 0.00 0.00 0.00 175.76 176.30 2pmh s ARG 108 N -3.97 0.02 0.07 0.00 0.52 -0.58 -2.03 118.95 112.97 2pmh s ARG 108 Ca 0.16 0.04 -0.02 0.00 -0.52 0.00 0.00 55.73 55.39 2pmh s ARG 108 Cb 0.06 -0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2pmh s ARG 108 CO -0.03 -0.04 0.01 0.71 0.02 0.00 0.00 175.30 175.97 2pmh s TYR 109 N 0.27 0.53 0.13 -0.53 2.02 -0.27 -4.67 117.35 114.84 2pmh s TYR 109 Ca -0.02 -1.04 -0.06 0.00 -0.37 0.00 0.00 57.07 55.58 2pmh s TYR 109 Cb -0.03 -0.36 -0.09 0.00 -0.40 0.00 0.00 41.96 41.07 2pmh s TYR 109 CO -0.01 -0.42 1.32 0.87 -1.57 0.00 0.00 175.55 175.74 2pmh h LYS 110 N 3.06 0.49 -4.24 -0.62 1.57 -1.83 0.13 116.57 115.13 2pmh h LYS 110 Ca -0.34 -0.48 -0.26 0.00 -1.87 0.00 0.00 60.65 57.70 2pmh h LYS 110 Cb 1.15 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 2pmh h LYS 110 CO 0.64 1.12 -0.30 0.95 -0.57 0.00 0.00 179.45 181.29 2pmh s THR 111 N -3.40 0.00 0.14 -0.16 -4.23 -1.26 -3.32 115.64 103.41 2pmh s THR 111 Ca -0.07 -1.70 -0.16 0.00 -1.18 0.00 0.00 61.69 58.59 2pmh s THR 111 Cb 0.09 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.42 2pmh s THR 111 CO 0.87 0.00 1.73 -0.09 -0.54 0.00 0.00 174.62 176.59 2pmh h ARG 112 N 2.23 0.60 -0.14 3.99 2.43 -1.95 -1.67 114.38 119.88 2pmh h ARG 112 Ca -0.29 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 2pmh h ARG 112 Cb 1.24 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 2pmh h ARG 112 CO 0.40 0.51 -0.14 0.93 -1.51 0.00 0.00 179.97 180.16 2pmh h GLU 113 N 0.54 -0.16 -0.80 0.20 3.07 -1.99 0.10 114.58 115.55 2pmh h GLU 113 Ca 0.15 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 2pmh h GLU 113 Cb 0.10 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 2pmh h GLU 113 CO -0.02 -0.11 0.52 1.49 -1.40 0.00 0.00 179.01 179.49 2pmh h GLU 114 N -0.17 1.00 -0.47 2.33 4.81 -1.94 -0.21 114.58 119.93 2pmh h GLU 114 Ca 0.09 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2pmh h GLU 114 Cb 0.30 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2pmh h GLU 114 CO -0.24 0.66 0.29 0.35 -0.73 0.00 0.00 179.01 179.35 2pmh h PHE 115 N 1.03 0.55 0.14 0.92 3.57 -0.52 0.34 116.94 122.99 2pmh h PHE 115 Ca 0.31 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2pmh h PHE 115 Cb -0.05 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2pmh h PHE 115 CO -0.02 0.33 -0.07 0.52 -2.23 0.00 0.00 178.31 176.84 2pmh h MET 116 N 0.59 -0.19 -0.09 1.11 2.86 -0.17 0.35 114.93 119.40 2pmh h MET 116 Ca 0.18 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2pmh h MET 116 Cb -0.03 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2pmh h MET 116 CO -0.06 -0.02 -0.01 1.49 1.06 0.00 0.00 176.91 179.37 2pmh h GLU 117 N -0.31 0.17 0.14 1.72 4.81 -0.94 0.16 114.58 120.32 2pmh h GLU 117 Ca -0.02 -0.06 -0.30 0.00 -0.13 0.00 0.00 59.36 58.85 2pmh h GLU 117 Cb 0.25 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2pmh h GLU 117 CO 0.03 0.45 -1.43 0.87 -0.73 0.00 0.00 179.01 178.20 2pmh h LYS 118 N -0.12 0.29 0.00 1.92 1.57 -1.00 -3.40 116.57 115.82 2pmh h LYS 118 Ca 0.03 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2pmh h LYS 118 Cb 0.37 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2pmh h LYS 118 CO 0.01 1.19 -0.57 0.34 -0.57 0.00 0.00 179.45 179.85 2pmh n PHE 119 N -3.51 0.00 -0.03 -1.35 7.35 0.01 -4.54 117.46 115.38 2pmh n PHE 119 Ca -0.14 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.44 2pmh n PHE 119 Cb 1.04 -0.28 -0.05 0.00 0.35 0.00 0.00 39.48 40.54 2pmh n PHE 119 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2pmh h LEU 120 N -0.57 0.20 -1.25 -2.13 5.85 -1.20 -1.02 115.31 115.19 2pmh h LEU 120 Ca 0.00 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2pmh h LEU 120 Cb 0.57 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2pmh h LEU 120 CO 0.00 0.32 0.53 -0.33 -0.34 0.00 0.00 178.44 178.62 2pmh h GLU 121 N 0.07 0.91 -0.22 1.25 5.08 -0.91 0.13 114.58 120.89 2pmh h GLU 121 Ca 0.05 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2pmh h GLU 121 Cb 0.18 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2pmh h GLU 121 CO -0.00 0.60 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.51 2pmh h ARG 122 N 0.94 0.39 -0.57 2.33 2.43 -1.71 -2.83 114.38 115.36 2pmh h ARG 122 Ca 0.33 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 2pmh h ARG 122 Cb 0.13 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2pmh h ARG 122 CO -0.11 0.59 0.04 0.28 -1.51 0.00 0.00 179.97 179.27 2pmh h VAL 123 N 0.15 1.26 0.00 0.20 2.07 -0.60 -2.79 116.25 116.55 2pmh h VAL 123 Ca 0.06 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2pmh h VAL 123 Cb 0.42 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2pmh h VAL 123 CO 0.01 0.38 0.00 0.24 0.02 0.00 0.00 177.57 178.23 2pmh h MET 124 N 0.86 0.00 -0.01 1.57 2.86 -0.71 -2.14 114.93 117.37 2pmh h MET 124 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2pmh h MET 124 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2pmh h MET 124 CO 0.02 0.00 -0.25 -1.13 1.06 0.00 0.00 176.91 176.61 2pmh n SER 125 N -2.99 1.23 -4.60 1.22 3.41 -1.06 -4.82 113.62 106.02 2pmh n SER 125 Ca -0.01 -1.05 -0.43 0.00 -0.26 0.00 0.00 58.87 57.12 2pmh n SER 125 Cb 0.18 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 2pmh n SER 125 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pmh s ILE 126 N -2.43 4.51 0.32 -1.33 1.01 -0.81 -4.93 121.20 117.55 2pmh s ILE 126 Ca 0.25 1.12 0.02 0.00 0.00 0.00 0.00 60.65 62.05 2pmh s ILE 126 Cb 0.19 -4.39 0.28 0.00 0.01 0.00 0.00 42.46 38.55 2pmh s ILE 126 CO 0.50 -0.66 1.94 -0.65 0.00 0.00 0.00 174.94 176.07 2pmh h PRO 127 N 8.68 0.91 0.00 2.79 0.11 -1.88 -2.37 132.00 140.24 2pmh h PRO 127 Ca -0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2pmh h PRO 127 Cb 1.07 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pmh h PRO 127 CO 1.01 0.60 0.00 0.39 -0.21 0.00 0.00 178.00 179.79 2pmh n GLU 128 N -4.47 0.07 -2.64 1.05 4.71 -1.26 -4.66 120.64 113.43 2pmh n GLU 128 Ca 0.12 0.43 -0.43 0.00 -0.01 0.00 0.00 57.16 57.27 2pmh n GLU 128 Cb 0.18 -1.67 -0.02 0.00 -1.01 0.00 0.00 31.44 28.92 2pmh n GLU 128 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2pmh s VAL 129 N -3.18 4.66 -0.10 2.62 1.01 -0.89 -0.26 120.40 124.27 2pmh s VAL 129 Ca 0.03 1.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.83 2pmh s VAL 129 Cb 0.06 -4.28 -0.28 0.00 0.00 0.00 0.00 36.38 31.88 2pmh s VAL 129 CO 0.21 -0.14 0.60 -0.08 0.00 0.00 0.00 175.10 175.68 2pmh h GLU 130 N 7.44 0.25 -1.97 2.72 4.57 -0.99 -3.46 114.58 123.14 2pmh h GLU 130 Ca -0.22 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.48 2pmh h GLU 130 Cb 1.08 0.16 -0.20 0.00 -0.16 0.00 0.00 28.75 29.64 2pmh h GLU 130 CO 0.95 1.21 0.20 0.50 -1.18 0.00 0.00 179.01 180.69 2pmh s ARG 131 N -2.47 0.99 -0.01 1.92 3.52 -1.17 -5.00 118.95 116.73 2pmh s ARG 131 Ca -0.19 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 2pmh s ARG 131 Cb 0.04 0.47 0.01 0.00 -1.56 0.00 0.00 34.95 33.90 2pmh s ARG 131 CO 0.77 -0.28 -0.01 0.00 -0.81 0.00 0.00 175.30 174.98 2pmh s ALA 132 N -0.88 0.13 -0.16 6.12 0.00 -1.26 -0.03 121.76 125.68 2pmh s ALA 132 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 2pmh s ALA 132 Cb -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2pmh s ALA 132 CO 0.08 0.00 0.01 0.45 0.00 0.00 0.00 175.76 176.29 2pmh s SER 133 N 0.22 2.57 -0.17 0.00 0.15 0.11 -4.98 113.70 111.60 2pmh s SER 133 Ca -0.02 -0.61 -0.14 0.00 0.70 0.00 0.00 55.95 55.89 2pmh s SER 133 Cb -0.03 -0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 63.59 2pmh s SER 133 CO -0.01 -0.25 0.29 -0.89 1.20 0.00 0.00 173.24 173.59 2pmh s THR 134 N 1.83 5.30 -0.24 6.45 2.01 -1.26 -0.92 115.64 128.81 2pmh s THR 134 Ca 0.01 0.54 -0.06 0.00 0.31 0.00 0.00 61.69 62.49 2pmh s THR 134 Cb -0.15 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2pmh s THR 134 CO -0.07 0.37 0.02 -1.10 -0.69 0.00 0.00 174.62 173.15 2pmh s GLN 135 N 0.58 3.47 -0.12 4.92 -1.52 0.65 -4.97 119.66 122.67 2pmh s GLN 135 Ca 0.16 -0.58 -0.30 0.00 -1.95 0.00 0.00 55.36 52.69 2pmh s GLN 135 Cb -0.13 -3.19 -0.01 0.00 -0.22 0.00 0.00 33.01 29.46 2pmh s GLN 135 CO 0.04 -0.22 1.07 0.08 -0.25 0.00 0.00 175.29 176.01 2pmh s VAL 136 N 1.54 4.62 -0.21 1.09 1.01 -1.26 -1.59 120.40 125.60 2pmh s VAL 136 Ca 0.06 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.66 2pmh s VAL 136 Cb -0.15 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2pmh s VAL 136 CO 0.00 -0.03 1.07 -0.69 0.00 0.00 0.00 175.10 175.45 2pmh s VAL 137 N 2.33 4.63 -1.17 2.92 1.01 0.55 -4.88 120.40 125.78 2pmh s VAL 137 Ca 0.50 1.97 0.13 0.00 0.00 0.00 0.00 61.98 64.58 2pmh s VAL 137 Cb -0.19 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 2pmh s VAL 137 CO 0.17 -0.16 0.74 1.33 0.00 0.00 0.00 175.10 177.17 2pmh n VAL 138 N 5.27 0.00 -3.64 2.92 0.24 -1.26 -4.50 118.33 117.35 2pmh n VAL 138 Ca 0.12 -0.35 -0.03 0.00 -2.04 0.00 0.00 64.34 62.04 2pmh n VAL 138 Cb 0.46 1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.93 2pmh n VAL 138 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2pmh s LYS 139 N -1.68 0.61 -0.56 7.34 2.20 -1.26 -5.10 119.74 121.29 2pmh s LYS 139 Ca 0.11 1.38 -0.17 0.00 -0.36 0.00 0.00 55.97 56.93 2pmh s LYS 139 Cb 0.11 0.66 0.12 0.00 -1.51 0.00 0.00 37.83 37.21 2pmh s LYS 139 CO 0.34 -0.18 0.57 0.42 -0.36 0.00 0.00 175.35 176.14 2pmh s ILE 140 N 2.52 5.09 0.15 5.43 1.01 -1.26 -4.89 121.20 129.26 2pmh s ILE 140 Ca -0.07 -1.36 -0.10 0.00 0.00 0.00 0.00 60.65 59.12 2pmh s ILE 140 Cb -0.10 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 2pmh s ILE 140 CO -0.19 -0.96 1.50 0.40 0.00 0.00 0.00 174.94 175.69 2pmh h ILE 141 N 5.88 1.27 -2.17 2.92 1.08 -2.04 -3.45 117.51 120.99 2pmh h ILE 141 Ca -0.29 -1.52 -0.05 0.00 -0.39 0.00 0.00 64.86 62.61 2pmh h ILE 141 Cb 1.09 1.32 -0.22 0.00 -3.07 0.00 0.00 36.82 35.95 2pmh h ILE 141 CO 1.05 0.51 0.03 -0.75 -0.69 0.00 0.00 178.15 178.30 2pmh s LYS 142 N -4.46 0.74 -0.43 2.37 2.20 -1.26 -5.11 119.74 113.79 2pmh s LYS 142 Ca -0.11 0.93 0.05 0.00 -0.36 0.00 0.00 55.97 56.49 2pmh s LYS 142 Cb 0.12 0.33 0.17 0.00 -1.51 0.00 0.00 37.83 36.94 2pmh s LYS 142 CO 0.88 -0.10 0.53 -2.00 -0.36 0.00 0.00 175.35 174.29 2pmh s GLU 143 N 0.52 0.85 -0.51 4.03 2.12 -1.26 -5.04 118.70 119.42 2pmh s GLU 143 Ca -0.01 -1.01 0.07 0.00 0.36 0.00 0.00 54.97 54.38 2pmh s GLU 143 Cb -0.05 -0.47 0.29 0.00 0.26 0.00 0.00 34.13 34.16 2pmh s GLU 143 CO -0.02 -1.27 0.72 0.43 -0.54 0.00 0.00 175.26 174.59 2pmh n SER 144 N 3.66 2.35 0.29 -1.70 7.64 -1.26 -4.92 113.62 119.68 2pmh n SER 144 Ca 0.16 -3.20 0.15 0.00 1.01 0.00 0.00 58.87 56.99 2pmh n SER 144 Cb 0.51 -0.63 0.88 0.00 -1.01 0.00 0.00 64.21 63.96 2pmh n SER 144 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2pmh h PRO 145 N 3.66 0.00 0.00 1.43 0.13 -2.01 -2.22 132.00 132.99 2pmh h PRO 145 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 2pmh h PRO 145 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2pmh h PRO 145 CO 0.66 0.04 -0.09 -2.95 -0.23 0.00 0.00 178.00 175.43 2pmh h ASN 146 N 0.00 0.00 -2.80 1.44 -1.07 -1.91 -3.39 115.58 107.85 2pmh h ASN 146 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 56.30 55.82 2pmh h ASN 146 Cb 0.13 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.30 2pmh h ASN 146 CO 0.01 0.09 0.98 -0.63 0.07 0.00 0.00 177.43 177.95 2pmh s ILE 147 N -4.44 3.91 -0.12 6.14 -1.09 -0.84 -4.77 121.20 119.98 2pmh s ILE 147 Ca -0.04 0.61 0.14 0.00 -2.23 0.00 0.00 60.65 59.13 2pmh s ILE 147 Cb 0.14 -4.81 -0.20 0.00 -1.58 0.00 0.00 42.46 36.02 2pmh s ILE 147 CO 0.60 -1.57 0.35 1.33 -1.23 0.00 0.00 174.94 174.41 2pmh n VAL 148 N 6.49 0.00 -3.90 2.92 0.24 -1.26 -4.87 118.33 117.95 2pmh n VAL 148 Ca 0.05 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.34 61.71 2pmh n VAL 148 Cb 0.49 0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 33.05 2pmh n VAL 148 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2pmh s ILE 149 N -2.83 3.00 -2.51 1.34 1.01 -1.26 -5.18 121.20 114.77 2pmh s ILE 149 Ca -0.03 -1.42 0.28 0.00 0.00 0.00 0.00 60.65 59.48 2pmh s ILE 149 Cb 0.09 -2.74 0.54 0.00 0.01 0.00 0.00 42.46 40.36 2pmh s ILE 149 CO 0.56 -0.13 1.74 0.49 0.00 0.00 0.00 174.94 177.60