#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1a n PHE 2 N 0.00 0.00 -0.15 1.61 3.72 -1.26 -1.87 117.46 119.51 2p1a n PHE 2 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2p1a n PHE 2 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 2p1a n PHE 2 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2p1a h VAL 3 N 0.00 1.24 -0.59 -4.37 2.07 -1.99 -2.01 116.25 110.61 2p1a h VAL 3 Ca 0.00 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 2p1a h VAL 3 Cb 0.00 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2p1a h VAL 3 CO 0.00 0.31 0.26 1.56 0.02 0.00 0.00 177.57 179.72 2p1a h GLN 4 N 0.56 0.84 -0.12 1.57 4.20 -1.79 -0.69 115.11 119.68 2p1a h GLN 4 Ca 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2p1a h GLN 4 Cb 0.38 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2p1a h GLN 4 CO 0.01 0.67 0.05 0.77 -0.67 0.00 0.00 178.83 179.66 2p1a h SER 5 N 0.83 0.16 -0.65 1.46 0.02 -1.77 -1.28 113.55 112.31 2p1a h SER 5 Ca 0.20 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2p1a h SER 5 Cb 0.12 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2p1a h SER 5 CO -0.02 0.25 0.23 0.00 -1.14 0.00 0.00 176.83 176.15 2p1a h ALA 6 N 0.91 1.12 -0.05 3.77 0.00 -1.02 -1.80 119.26 122.19 2p1a h ALA 6 Ca 0.04 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2p1a h ALA 6 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2p1a h ALA 6 CO -0.00 0.61 -0.55 -0.07 0.00 0.00 0.00 179.25 179.24 2p1a h LEU 7 N 1.00 0.17 -0.37 0.00 3.38 -1.08 -2.57 115.31 115.83 2p1a h LEU 7 Ca 0.22 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2p1a h LEU 7 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2p1a h LEU 7 CO -0.01 0.68 -0.15 -0.74 0.09 0.00 0.00 178.44 178.31 2p1a h HIS 8 N 0.12 0.86 -0.56 1.13 2.76 -0.86 -0.22 115.15 118.38 2p1a h HIS 8 Ca -0.00 -0.20 0.09 0.00 -2.20 0.00 0.00 60.37 58.05 2p1a h HIS 8 Cb 1.00 -0.20 -0.07 0.00 1.55 0.00 0.00 27.41 29.69 2p1a h HIS 8 CO 0.01 0.93 0.17 0.37 -1.30 0.00 0.00 177.93 178.11 2p1a h GLN 9 N 0.54 0.33 -0.33 5.26 5.75 -1.26 -1.34 115.11 124.06 2p1a h GLN 9 Ca 0.09 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.44 2p1a h GLN 9 Cb 0.69 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 2p1a h GLN 9 CO 0.05 0.22 -0.30 1.25 -2.65 0.00 0.00 178.83 177.39 2p1a h LEU 10 N 0.33 0.84 -0.69 -2.39 5.85 -1.37 -2.86 115.31 115.02 2p1a h LEU 10 Ca 0.28 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2p1a h LEU 10 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2p1a h LEU 10 CO -0.31 1.13 0.40 0.50 -0.34 0.00 0.00 178.44 179.82 2p1a h LYS 11 N 0.56 0.95 -0.71 1.25 3.64 -0.58 -0.11 116.57 121.58 2p1a h LYS 11 Ca 0.06 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2p1a h LYS 11 Cb 0.88 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 2p1a h LYS 11 CO 0.08 0.70 0.41 0.28 -2.27 0.00 0.00 179.45 178.64 2p1a h VAL 12 N 0.95 1.21 0.02 2.00 2.07 -1.29 0.40 116.25 121.61 2p1a h VAL 12 Ca 0.25 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2p1a h VAL 12 Cb 0.01 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2p1a h VAL 12 CO -0.04 0.22 -0.01 0.00 0.02 0.00 0.00 177.57 177.76 2p1a h ALA 13 N 1.21 -0.03 0.15 1.67 0.00 -1.21 -0.72 119.26 120.32 2p1a h ALA 13 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2p1a h ALA 13 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2p1a h ALA 13 CO -0.04 -0.52 -0.07 0.28 0.00 0.00 0.00 179.25 178.89 2p1a h VAL 14 N -0.04 0.93 -0.71 0.00 2.07 -0.84 -1.45 116.25 116.21 2p1a h VAL 14 Ca -0.00 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2p1a h VAL 14 Cb 0.03 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2p1a h VAL 14 CO 0.00 0.07 0.47 0.44 0.02 0.00 0.00 177.57 178.57 2p1a h ASP 15 N -0.34 0.66 0.09 0.57 3.32 -0.16 -0.64 116.42 119.92 2p1a h ASP 15 Ca -0.02 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.81 2p1a h ASP 15 Cb 0.27 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.69 2p1a h ASP 15 CO 0.03 0.43 -0.83 0.74 -1.72 0.00 0.00 179.24 177.89 2p1a h THR 16 N 0.75 1.33 -0.61 0.35 2.02 -1.05 -2.90 112.91 112.80 2p1a h THR 16 Ca 0.30 -2.15 -0.04 0.00 0.77 0.00 0.00 66.41 65.29 2p1a h THR 16 Cb 0.23 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2p1a h THR 16 CO -0.10 0.66 0.21 0.28 0.37 0.00 0.00 175.52 176.94 2p1a h SER 17 N 0.38 0.84 -0.24 4.18 0.02 -0.46 -3.01 113.55 115.25 2p1a h SER 17 Ca -0.06 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2p1a h SER 17 Cb 1.45 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2p1a h SER 17 CO 0.16 0.78 0.04 0.40 -1.14 0.00 0.00 176.83 177.07 2p1a h ILE 18 N 0.89 1.23 0.00 3.27 2.04 -1.15 -2.41 117.51 121.37 2p1a h ILE 18 Ca 0.20 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2p1a h ILE 18 Cb 0.23 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2p1a h ILE 18 CO -0.01 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.38 2p1a n GLN 19 N -4.70 0.56 0.00 2.37 10.64 -1.10 -3.26 117.38 121.89 2p1a n GLN 19 Ca -0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 2p1a n GLN 19 Cb 0.20 -1.22 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 2p1a n GLN 19 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2p1a n LEU 21 N 1.46 0.00 0.25 2.61 4.77 -0.91 -3.77 117.00 121.41 2p1a n LEU 21 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2p1a n LEU 21 Cb 0.28 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.90 2p1a n LEU 21 CO 0.00 0.00 0.91 0.44 -1.33 0.00 0.00 177.39 177.41 2p1a h ASP 22 N 0.00 0.00 -0.10 -1.43 3.32 -1.86 -3.25 116.42 113.11 2p1a h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2p1a h ASP 22 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2p1a h ASP 22 CO 0.00 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 2p1a n GLN 23 N -3.15 1.45 -4.13 3.56 1.13 -1.25 -4.89 117.38 110.10 2p1a n GLN 23 Ca 0.01 -0.67 -0.09 0.00 -1.94 0.00 0.00 57.00 54.31 2p1a n GLN 23 Cb 0.38 -1.36 -0.10 0.00 0.11 0.00 0.00 30.24 29.27 2p1a n GLN 23 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2p1a s TYR 24 N -1.88 0.72 0.29 1.08 2.02 -1.23 -5.15 117.35 113.20 2p1a s TYR 24 Ca 0.31 -0.95 0.07 0.00 -0.37 0.00 0.00 57.07 56.12 2p1a s TYR 24 Cb 0.16 -0.45 -0.03 0.00 -0.40 0.00 0.00 41.96 41.24 2p1a s TYR 24 CO 0.25 -0.24 0.32 0.99 -1.57 0.00 0.00 175.55 175.30 2p1a s THR 25 N -3.62 4.33 0.22 -0.71 2.01 -1.26 -5.00 115.64 111.63 2p1a s THR 25 Ca 0.08 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 60.80 2p1a s THR 25 Cb 0.05 -3.46 0.20 0.00 0.01 0.00 0.00 72.50 69.30 2p1a s THR 25 CO -0.07 -0.26 1.89 -0.33 -0.69 0.00 0.00 174.62 175.17 2p1a h GLU 26 N 1.21 1.13 -0.02 4.92 5.08 -1.99 -1.70 114.58 123.20 2p1a h GLU 26 Ca -0.48 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2p1a h GLU 26 Cb 1.24 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2p1a h GLU 26 CO 0.58 0.75 0.01 0.82 -1.00 0.00 0.00 179.01 180.18 2p1a h ILE 27 N 1.16 1.06 -0.69 3.13 1.08 -1.98 -0.96 117.51 120.31 2p1a h ILE 27 Ca 0.31 -0.18 0.08 0.00 -0.39 0.00 0.00 64.86 64.68 2p1a h ILE 27 Cb -0.12 1.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 2p1a h ILE 27 CO -0.07 0.05 0.35 0.44 -0.69 0.00 0.00 178.15 178.24 2p1a h ASP 28 N -0.04 0.48 0.28 1.72 3.32 -1.88 -0.47 116.42 119.83 2p1a h ASP 28 Ca 0.01 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 2p1a h ASP 28 Cb 0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2p1a h ASP 28 CO -0.00 0.29 -0.59 -0.07 -1.72 0.00 0.00 179.24 177.15 2p1a h LEU 29 N 0.62 0.36 -0.80 1.55 3.38 -1.26 -2.44 115.31 116.71 2p1a h LEU 29 Ca 0.33 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2p1a h LEU 29 Cb 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2p1a h LEU 29 CO -0.24 0.86 -0.34 0.11 0.09 0.00 0.00 178.44 178.92 2p1a h LYS 30 N 0.24 0.50 0.24 1.13 1.57 -0.30 -1.33 116.57 118.62 2p1a h LYS 30 Ca -0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2p1a h LYS 30 Cb 1.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2p1a h LYS 30 CO 0.10 0.78 -0.11 0.82 -0.57 0.00 0.00 179.45 180.46 2p1a h ILE 31 N 0.43 0.18 -3.76 1.86 1.08 -1.10 -3.45 117.51 112.75 2p1a h ILE 31 Ca 0.05 -0.85 -0.53 0.00 -0.39 0.00 0.00 64.86 63.14 2p1a h ILE 31 Cb 0.80 0.32 0.08 0.00 -3.07 0.00 0.00 36.82 34.95 2p1a h ILE 31 CO 0.07 0.05 0.72 0.00 -0.69 0.00 0.00 178.15 178.30 2p1a s ALA 32 N -3.43 3.56 0.56 1.87 0.00 -0.92 -4.12 121.76 119.28 2p1a s ALA 32 Ca -0.07 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 2p1a s ALA 32 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2p1a s ALA 32 CO 0.22 -0.81 1.04 -1.25 0.00 0.00 0.00 175.76 174.95 2p1a s PRO 33 N -1.50 3.54 0.04 0.00 0.05 -1.26 -1.82 135.00 134.06 2p1a s PRO 33 Ca 0.53 1.17 -0.23 0.00 0.05 0.00 0.00 61.00 62.52 2p1a s PRO 33 Cb -0.43 -2.07 -0.12 0.00 0.05 0.00 0.00 34.50 31.93 2p1a s PRO 33 CO 0.54 -0.62 1.35 0.82 0.05 0.00 0.00 177.00 179.13 2p1a h ILE 34 N 0.73 0.00 -3.09 0.56 1.08 -1.89 -3.35 117.51 111.56 2p1a h ILE 34 Ca -0.47 0.00 -0.73 0.00 -0.39 0.00 0.00 64.86 63.27 2p1a h ILE 34 Cb 1.21 0.00 -0.21 0.00 -3.07 0.00 0.00 36.82 34.75 2p1a h ILE 34 CO 0.59 0.00 0.33 -1.10 -0.69 0.00 0.00 178.15 177.27 2p1a s GLN 35 N -4.82 3.42 -0.01 2.37 -1.52 -1.26 -4.98 119.66 112.86 2p1a s GLN 35 Ca -0.12 -1.88 -0.29 0.00 -1.95 0.00 0.00 55.36 51.12 2p1a s GLN 35 Cb 0.01 -4.53 0.10 0.00 -0.22 0.00 0.00 33.01 28.38 2p1a s GLN 35 CO 0.37 -1.52 0.88 0.45 -0.25 0.00 0.00 175.29 175.22 2p1a s SER 36 N 3.10 -0.38 0.10 5.90 0.15 -1.26 -5.05 113.70 116.26 2p1a s SER 36 Ca 0.20 0.04 0.14 0.00 0.70 0.00 0.00 55.95 57.02 2p1a s SER 36 Cb -0.13 0.39 -0.12 0.00 -1.71 0.00 0.00 66.02 64.44 2p1a s SER 36 CO -0.04 -0.62 1.02 0.07 1.20 0.00 0.00 173.24 174.87 2p1a h LYS 37 N 2.05 0.00 -6.27 5.44 -0.00 -1.93 -3.48 116.57 112.38 2p1a h LYS 37 Ca -0.22 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 59.85 2p1a h LYS 37 Cb 1.24 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 33.37 2p1a h LYS 37 CO 0.31 0.51 -0.63 1.03 -0.00 0.00 0.00 179.45 180.68 2p1a s ARG 38 N -2.82 2.51 0.06 0.07 0.52 -1.26 -5.15 118.95 112.88 2p1a s ARG 38 Ca -0.01 -1.15 0.08 0.00 -0.52 0.00 0.00 55.73 54.14 2p1a s ARG 38 Cb 0.09 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.15 2p1a s ARG 38 CO 0.80 0.43 -0.21 -1.54 0.02 0.00 0.00 175.30 174.80 2p1a s SER 39 N -3.27 3.59 0.47 0.23 1.04 -1.26 -4.23 113.70 110.27 2p1a s SER 39 Ca 0.30 -0.52 0.12 0.00 0.48 0.00 0.00 55.95 56.33 2p1a s SER 39 Cb -0.08 -0.48 1.08 0.00 0.10 0.00 0.00 66.02 66.64 2p1a s SER 39 CO 0.20 0.24 2.09 -0.07 0.98 0.00 0.00 173.24 176.68 2p1a h LEU 40 N 4.45 0.23 0.29 2.42 4.07 -0.86 -3.02 115.31 122.89 2p1a h LEU 40 Ca -0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 2p1a h LEU 40 Cb 1.15 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2p1a h LEU 40 CO 0.45 0.16 -0.14 0.15 -1.08 0.00 0.00 178.44 177.99 2p1a h PHE 41 N 0.27 -0.36 0.00 1.13 3.57 -1.54 -0.91 116.94 119.09 2p1a h PHE 41 Ca 0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2p1a h PHE 41 Cb 0.07 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2p1a h PHE 41 CO -0.00 -0.09 0.00 -1.91 -2.23 0.00 0.00 178.31 174.08 2p1a n GLU 42 N -5.17 0.01 0.00 1.11 4.07 -1.14 -0.42 120.64 119.10 2p1a n GLU 42 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 2p1a n GLU 42 Cb 0.24 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 2p1a n GLU 42 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2p1a n TYR 44 N 0.57 0.00 -0.14 4.31 4.01 -0.35 -1.37 117.16 124.19 2p1a n TYR 44 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2p1a n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2p1a n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2p1a h ALA 45 N 0.00 0.53 -0.55 -0.72 0.00 -0.98 -1.82 119.26 115.72 2p1a h ALA 45 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2p1a h ALA 45 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2p1a h ALA 45 CO 0.00 0.01 -0.01 1.25 0.00 0.00 0.00 179.25 180.50 2p1a h HIS 46 N 0.56 1.03 -0.75 0.00 -0.00 -1.47 -3.04 115.15 111.48 2p1a h HIS 46 Ca 0.15 -0.17 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2p1a h HIS 46 Cb -0.03 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.07 2p1a h HIS 46 CO -0.04 0.93 0.49 1.25 -0.00 0.00 0.00 177.93 180.56 2p1a h LEU 47 N 0.88 0.84 -2.30 0.26 5.85 -1.79 -2.76 115.31 116.29 2p1a h LEU 47 Ca 0.16 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2p1a h LEU 47 Cb 0.52 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2p1a h LEU 47 CO 0.03 0.60 -0.05 0.77 -0.34 0.00 0.00 178.44 179.45 2p1a h SER 48 N 0.99 0.00 0.17 1.25 4.64 -1.21 -2.69 113.55 116.70 2p1a h SER 48 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2p1a h SER 48 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2p1a h SER 48 CO -0.08 0.05 -0.35 0.18 -0.87 0.00 0.00 176.83 175.76 2p1a n LEU 49 N -3.56 1.29 0.09 5.97 4.77 -1.05 -4.60 117.00 119.92 2p1a n LEU 49 Ca -0.02 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 2p1a n LEU 49 Cb 0.15 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2p1a n LEU 49 CO 0.27 0.24 0.71 0.40 -1.33 0.00 0.00 177.39 177.68 2p1a h ILE 50 N 1.49 0.48 -0.32 -0.08 2.04 -1.47 0.20 117.51 119.84 2p1a h ILE 50 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2p1a h ILE 50 Cb 0.58 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2p1a h ILE 50 CO 0.00 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.20 2p1a h HIS 52 N 0.15 -0.26 -0.29 0.00 3.86 -1.78 -2.50 115.15 114.33 2p1a h HIS 52 Ca 0.15 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2p1a h HIS 52 Cb 0.18 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 2p1a h HIS 52 CO -0.19 -0.08 0.18 0.00 0.86 0.00 0.00 177.93 178.70 2p1a h ALA 53 N 0.36 0.37 0.00 2.45 0.00 -0.37 -0.89 119.26 121.18 2p1a h ALA 53 Ca -0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2p1a h ALA 53 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2p1a h ALA 53 CO 0.05 -0.14 -0.50 -0.44 0.00 0.00 0.00 179.25 178.22 2p1a h ASP 54 N 0.38 0.00 -0.32 0.00 5.19 -0.73 -1.14 116.42 119.80 2p1a h ASP 54 Ca 0.11 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 2p1a h ASP 54 Cb -0.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2p1a h ASP 54 CO -0.02 0.50 -0.06 0.25 -3.12 0.00 0.00 179.24 176.79 2p1a h LEU 55 N 0.00 0.60 -0.56 1.55 5.85 -1.23 -1.29 115.31 120.22 2p1a h LEU 55 Ca -0.01 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2p1a h LEU 55 Cb 0.91 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2p1a h LEU 55 CO 0.07 0.81 0.31 -0.07 -0.34 0.00 0.00 178.44 179.22 2p1a h LEU 56 N 0.37 0.48 -0.07 2.25 3.38 -0.80 -0.43 115.31 120.49 2p1a h LEU 56 Ca 0.08 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2p1a h LEU 56 Cb 0.54 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2p1a h LEU 56 CO 0.03 0.33 -0.06 0.40 0.09 0.00 0.00 178.44 179.23 2p1a h ILE 57 N 0.61 0.83 -0.91 1.22 2.04 -1.13 -1.26 117.51 118.91 2p1a h ILE 57 Ca 0.24 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.20 2p1a h ILE 57 Cb 0.10 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2p1a h ILE 57 CO -0.14 0.00 0.59 0.25 0.00 0.00 0.00 178.15 178.85 2p1a h LEU 58 N -0.07 0.82 -2.60 1.44 5.85 -0.95 -2.37 115.31 117.43 2p1a h LEU 58 Ca 0.05 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 2p1a h LEU 58 Cb 0.14 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 2p1a h LEU 58 CO -0.12 0.48 0.20 0.59 -0.34 0.00 0.00 178.44 179.25 2p1a n ASN 59 N -4.54 3.19 -0.22 1.25 3.02 -0.19 -4.89 115.26 112.88 2p1a n ASN 59 Ca 0.16 -2.55 -0.03 0.00 -0.03 0.00 0.00 54.58 52.13 2p1a n ASN 59 Cb 0.32 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 2p1a n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p1a n GLY 60 N -0.05 0.61 3.76 7.41 0.00 -0.89 -4.99 105.19 111.03 2p1a n GLY 60 Ca 0.20 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 2p1a n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2p1a s SER 61 N -2.65 5.37 0.76 1.61 0.01 -0.53 -4.99 113.70 113.29 2p1a s SER 61 Ca 0.00 2.37 -0.11 0.00 1.31 0.00 0.00 55.95 59.51 2p1a s SER 61 Cb 0.00 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.69 2p1a s SER 61 CO 0.00 -1.47 1.13 0.42 0.41 0.00 0.00 173.24 173.73 2p1a s THR 62 N -1.60 2.50 0.16 1.44 -4.23 -1.26 -4.40 115.64 108.24 2p1a s THR 62 Ca 0.75 0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 61.23 2p1a s THR 62 Cb -0.30 -3.15 0.04 0.00 1.34 0.00 0.00 72.50 70.43 2p1a s THR 62 CO 0.33 -0.19 1.78 -0.08 -0.54 0.00 0.00 174.62 175.92 2p1a h GLU 63 N -0.87 0.66 -0.80 3.99 4.81 -1.95 -2.72 114.58 117.70 2p1a h GLU 63 Ca -0.46 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 2p1a h GLU 63 Cb 1.30 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2p1a h GLU 63 CO 0.65 0.50 0.32 -0.22 -0.73 0.00 0.00 179.01 179.52 2p1a h LYS 64 N 0.64 1.20 -0.19 1.92 3.64 -1.99 -0.54 116.57 121.25 2p1a h LYS 64 Ca 0.17 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2p1a h LYS 64 Cb 0.01 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 2p1a h LYS 64 CO -0.03 0.97 -0.23 0.93 -2.27 0.00 0.00 179.45 178.82 2p1a h GLU 65 N 1.17 -0.25 -0.60 1.90 4.39 -1.92 0.13 114.58 119.40 2p1a h GLU 65 Ca 0.27 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.91 2p1a h GLU 65 Cb 0.22 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2p1a h GLU 65 CO -0.02 -0.17 0.07 -0.07 -1.16 0.00 0.00 179.01 177.66 2p1a h LEU 66 N -0.26 0.94 0.38 1.33 -0.00 -1.20 0.24 115.31 116.74 2p1a h LEU 66 Ca 0.12 -0.22 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 2p1a h LEU 66 Cb 0.44 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2p1a h LEU 66 CO -0.34 0.95 -0.18 -0.74 -0.00 0.00 0.00 178.44 178.13 2p1a h HIS 67 N 0.92 -0.47 -0.93 1.13 2.76 -0.84 -1.73 115.15 115.99 2p1a h HIS 67 Ca 0.18 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2p1a h HIS 67 Cb 0.43 0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.50 2p1a h HIS 67 CO 0.03 -0.29 0.61 1.15 -1.30 0.00 0.00 177.93 178.12 2p1a h THR 68 N -0.52 1.19 0.83 6.26 2.02 -0.58 -0.75 112.91 121.36 2p1a h THR 68 Ca -0.05 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2p1a h THR 68 Cb 0.40 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 2p1a h THR 68 CO 0.09 0.22 -0.44 0.15 0.37 0.00 0.00 175.52 175.91 2p1a h PHE 69 N 1.20 -1.15 -0.32 3.16 3.57 -0.39 0.97 116.94 123.98 2p1a h PHE 69 Ca 0.36 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 2p1a h PHE 69 Cb -0.05 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2p1a h PHE 69 CO -0.01 -0.69 -0.02 1.88 -2.23 0.00 0.00 178.31 177.24 2p1a h TYR 70 N -1.17 0.51 0.07 0.41 0.05 -1.27 0.22 116.97 115.79 2p1a h TYR 70 Ca -0.11 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 2p1a h TYR 70 Cb 0.91 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.51 2p1a h TYR 70 CO -0.05 0.52 -0.03 -0.22 -1.05 0.00 0.00 178.16 177.33 2p1a h LYS 71 N 0.47 -0.09 0.01 4.88 3.64 -1.02 -3.36 116.57 121.11 2p1a h LYS 71 Ca 0.10 0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.13 2p1a h LYS 71 Cb 0.34 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 2p1a h LYS 71 CO 0.01 0.34 -2.23 0.39 -2.27 0.00 0.00 179.45 175.70 2p1a n GLU 72 N -4.92 0.68 -0.47 1.90 1.02 0.32 -4.52 120.64 114.65 2p1a n GLU 72 Ca -0.08 0.11 0.07 0.00 -0.02 0.00 0.00 57.16 57.23 2p1a n GLU 72 Cb 0.24 -1.60 0.27 0.00 -0.02 0.00 0.00 31.44 30.34 2p1a n GLU 72 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2p1a n GLN 73 N -2.96 3.06 -2.26 3.49 1.13 0.77 -4.95 117.38 115.67 2p1a n GLN 73 Ca -0.32 -2.18 -0.42 0.00 -1.94 0.00 0.00 57.00 52.14 2p1a n GLN 73 Cb 1.10 -1.73 -0.03 0.00 0.11 0.00 0.00 30.24 29.68 2p1a n GLN 73 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2p1a s THR 74 N -1.75 3.49 0.59 5.09 2.01 -1.25 -4.96 115.64 118.86 2p1a s THR 74 Ca 0.39 1.11 -0.20 0.00 0.31 0.00 0.00 61.69 63.30 2p1a s THR 74 Cb 0.25 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2p1a s THR 74 CO 0.19 0.11 1.32 -2.84 -0.69 0.00 0.00 174.62 172.70 2p1a s PRO 75 N 0.80 2.90 0.00 4.92 0.02 -1.26 -4.96 135.00 137.42 2p1a s PRO 75 Ca 0.61 2.13 0.16 0.00 0.02 0.00 0.00 61.00 63.92 2p1a s PRO 75 Cb -0.35 -2.07 0.15 0.00 0.02 0.00 0.00 34.50 32.25 2p1a s PRO 75 CO 0.32 -1.34 1.03 0.39 -0.33 0.00 0.00 177.00 177.07 2p1a n GLU 76 N -1.41 1.34 -4.01 5.54 1.02 -1.26 -4.91 120.64 116.95 2p1a n GLU 76 Ca 0.13 -1.52 -0.08 0.00 -0.02 0.00 0.00 57.16 55.67 2p1a n GLU 76 Cb 0.47 -1.31 -0.09 0.00 -0.02 0.00 0.00 31.44 30.48 2p1a n GLU 76 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2p1a s THR 77 N -1.32 0.19 0.13 2.62 -4.23 -1.26 -5.06 115.64 106.71 2p1a s THR 77 Ca 0.20 -1.57 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 2p1a s THR 77 Cb 0.14 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.58 2p1a s THR 77 CO 0.20 -0.87 1.69 0.40 -0.54 0.00 0.00 174.62 175.50 2p1a h ILE 78 N 3.11 1.19 -0.32 2.99 2.04 -1.97 -3.16 117.51 121.39 2p1a h ILE 78 Ca -0.34 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.00 2p1a h ILE 78 Cb 1.16 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 2p1a h ILE 78 CO 0.62 0.21 -0.05 0.00 0.00 0.00 0.00 178.15 178.93 2p1a h ALA 79 N 1.01 0.24 0.00 1.87 0.00 -1.97 -0.58 119.26 119.84 2p1a h ALA 79 Ca 0.14 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2p1a h ALA 79 Cb 0.17 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2p1a h ALA 79 CO -0.01 -0.44 0.00 1.04 0.00 0.00 0.00 179.25 179.83 2p1a n GLN 80 N -5.23 0.40 0.00 0.00 1.13 -1.20 -1.10 117.38 111.38 2p1a n GLN 80 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2p1a n GLN 80 Cb 0.18 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.23 2p1a n GLN 80 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2p1a n GLN 82 N 1.76 0.00 -0.30 -1.09 6.02 -0.22 -1.02 117.38 122.52 2p1a n GLN 82 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2p1a n GLN 82 Cb 0.20 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.53 2p1a n GLN 82 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2p1a h LYS 83 N 0.00 1.13 -0.98 -1.09 1.57 -1.38 -2.51 116.57 113.32 2p1a h LYS 83 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2p1a h LYS 83 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.09 2p1a h LYS 83 CO 0.00 0.82 0.00 2.41 -0.57 0.00 0.00 179.45 182.11 2p1a n THR 84 N -4.42 0.07 0.00 -0.16 -1.04 -0.19 -1.53 114.28 107.02 2p1a n THR 84 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2p1a n THR 84 Cb 0.09 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 2p1a n THR 84 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2p1a n ILE 86 N 0.67 0.00 -0.07 12.58 2.08 -0.94 -0.90 119.36 132.78 2p1a n ILE 86 Ca 0.00 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.21 2p1a n ILE 86 Cb 0.06 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.92 2p1a n ILE 86 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2p1a h GLN 87 N 0.00 0.35 -0.47 0.38 4.20 -1.56 0.54 115.11 118.56 2p1a h GLN 87 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2p1a h GLN 87 Cb 0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2p1a h GLN 87 CO 0.00 0.29 0.26 0.78 -0.67 0.00 0.00 178.83 179.49 2p1a h GLY 88 N 0.31 0.70 0.94 3.46 0.00 -1.28 -1.16 103.07 106.04 2p1a h GLY 88 Ca 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2p1a h GLY 88 CO -0.02 0.30 0.03 -1.82 0.00 0.00 0.00 176.54 175.04 2p1a h TYR 89 N 0.62 0.08 -0.44 5.60 3.20 -1.77 -0.89 116.97 123.37 2p1a h TYR 89 Ca 0.17 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2p1a h TYR 89 Cb 0.05 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 2p1a h TYR 89 CO -0.02 0.12 0.07 0.22 -1.64 0.00 0.00 178.16 176.91 2p1a h ASP 90 N 0.02 -0.03 0.01 -2.11 3.58 -0.69 0.17 116.42 117.37 2p1a h ASP 90 Ca 0.02 0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.43 2p1a h ASP 90 Cb 0.06 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2p1a h ASP 90 CO -0.00 0.02 -0.37 0.25 -2.88 0.00 0.00 179.24 176.26 2p1a h LEU 91 N 0.20 0.51 -0.22 2.28 5.85 -1.12 -0.44 115.31 122.37 2p1a h LEU 91 Ca 0.21 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2p1a h LEU 91 Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2p1a h LEU 91 CO -0.29 0.83 -0.14 0.25 -0.34 0.00 0.00 178.44 178.75 2p1a h LEU 92 N 0.41 0.50 0.26 2.25 5.85 -0.77 -0.97 115.31 122.83 2p1a h LEU 92 Ca 0.04 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2p1a h LEU 92 Cb 0.84 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2p1a h LEU 92 CO 0.07 0.82 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.59 2p1a h SER 93 N 0.18 -0.29 -0.47 1.25 0.87 -0.56 0.39 113.55 114.92 2p1a h SER 93 Ca 0.05 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2p1a h SER 93 Cb 0.65 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 2p1a h SER 93 CO 0.04 -0.15 0.26 0.11 -0.53 0.00 0.00 176.83 176.56 2p1a h LYS 94 N -0.41 0.69 0.72 2.24 1.57 -1.12 0.21 116.57 120.47 2p1a h LYS 94 Ca -0.04 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2p1a h LYS 94 Cb 0.31 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.49 2p1a h LYS 94 CO 0.06 0.51 -0.35 1.15 -0.57 0.00 0.00 179.45 180.25 2p1a h THR 95 N 0.69 0.00 0.00 -0.16 2.02 -0.96 -3.05 112.91 111.45 2p1a h THR 95 Ca 0.18 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2p1a h THR 95 Cb 0.03 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2p1a h THR 95 CO -0.03 0.00 -0.15 -0.26 0.37 0.00 0.00 175.52 175.45 2p1a h PHE 96 N -1.26 0.00 0.00 3.16 -1.00 -0.76 -0.95 116.94 116.13 2p1a h PHE 96 Ca -0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.68 2p1a h PHE 96 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2p1a h PHE 96 CO 0.00 0.15 0.00 1.28 -1.61 0.00 0.00 178.31 178.13 2p1a n LEU 97 N -3.94 0.00 -0.35 1.54 4.77 0.72 -3.25 117.00 116.50 2p1a n LEU 97 Ca -0.02 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 2p1a n LEU 97 Cb 0.24 -0.42 0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2p1a n LEU 97 CO 0.33 -0.04 0.39 -1.54 -1.33 0.00 0.00 177.39 175.20 2p1a n SER 98 N -1.42 1.54 -4.79 -1.43 3.41 -0.36 -4.97 113.62 105.59 2p1a n SER 98 Ca 0.09 -1.21 -0.39 0.00 -0.26 0.00 0.00 58.87 57.10 2p1a n SER 98 Cb 0.27 0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.57 2p1a n SER 98 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2p1a s TYR 99 N -2.56 3.84 0.80 7.33 2.02 -1.20 -5.09 117.35 122.50 2p1a s TYR 99 Ca 0.19 1.44 -0.11 0.00 -0.37 0.00 0.00 57.07 58.23 2p1a s TYR 99 Cb 0.18 -2.65 0.10 0.00 -0.40 0.00 0.00 41.96 39.19 2p1a s TYR 99 CO 0.59 0.52 1.15 -1.54 -1.57 0.00 0.00 175.55 174.70 2p1a s SER 100 N -1.00 4.33 0.41 2.29 1.04 -1.26 -4.81 113.70 114.70 2p1a s SER 100 Ca 0.33 0.54 0.08 0.00 0.48 0.00 0.00 55.95 57.37 2p1a s SER 100 Cb -0.21 -0.99 0.86 0.00 0.10 0.00 0.00 66.02 65.78 2p1a s SER 100 CO 0.22 -1.97 2.03 0.78 0.98 0.00 0.00 173.24 175.29 2p1a h ASN 101 N -1.00 0.49 -0.48 7.02 2.35 -1.98 0.17 115.58 122.14 2p1a h ASN 101 Ca -0.45 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 2p1a h ASN 101 Cb 1.31 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 2p1a h ASN 101 CO 0.58 0.34 0.18 -0.33 -1.65 0.00 0.00 177.43 176.56 2p1a h GLU 102 N 0.57 0.73 -0.40 0.81 4.39 -1.97 -0.57 114.58 118.14 2p1a h GLU 102 Ca 0.19 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 2p1a h GLU 102 Cb 0.07 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2p1a h GLU 102 CO -0.05 0.66 -0.25 1.96 -1.16 0.00 0.00 179.01 180.18 2p1a h GLN 103 N 0.64 0.87 -0.37 2.33 4.20 -1.74 -1.47 115.11 119.57 2p1a h GLN 103 Ca 0.16 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 2p1a h GLN 103 Cb 0.21 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2p1a h GLN 103 CO -0.01 1.05 0.10 -0.07 -0.67 0.00 0.00 178.83 179.23 2p1a h LEU 104 N 0.69 0.49 -0.05 1.46 3.38 -0.61 -2.54 115.31 118.13 2p1a h LEU 104 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2p1a h LEU 104 Cb 0.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2p1a h LEU 104 CO 0.07 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.09 2p1a n ALA 105 N -2.48 2.24 -1.00 1.53 0.00 -0.23 -0.87 120.51 119.70 2p1a n ALA 105 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2p1a n ALA 105 Cb 0.18 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2p1a n ALA 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2p1a n GLU 106 N -2.28 1.84 0.00 0.00 4.07 -0.57 -4.65 120.64 119.04 2p1a n GLU 106 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2p1a n GLU 106 Cb 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 2p1a n GLU 106 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2p1a n LYS 108 N 0.00 0.00 -3.48 5.31 4.76 0.48 -1.21 118.16 124.02 2p1a n LYS 108 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 2p1a n LYS 108 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2p1a n LYS 108 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2p1a s THR 109 N 0.00 5.27 0.75 -0.18 2.01 -1.26 -1.95 115.64 120.28 2p1a s THR 109 Ca 0.00 0.60 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 2p1a s THR 109 Cb 0.00 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.89 2p1a s THR 109 CO 0.00 0.34 1.08 0.00 -0.69 0.00 0.00 174.62 175.35 2p1a s ALA 110 N 0.78 2.40 0.49 7.40 0.00 -0.18 -4.81 121.76 127.84 2p1a s ALA 110 Ca 0.17 0.10 0.19 0.00 0.00 0.00 0.00 51.96 52.42 2p1a s ALA 110 Cb -0.14 -3.20 1.22 0.00 0.00 0.00 0.00 23.12 21.00 2p1a s ALA 110 CO 0.06 -1.56 2.02 0.10 0.00 0.00 0.00 175.76 176.38 2p1a h TYR 111 N -0.97 0.18 -0.04 0.00 -0.00 -1.85 -0.66 116.97 113.63 2p1a h TYR 111 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2p1a h TYR 111 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2p1a h TYR 111 CO 0.57 0.09 0.00 -2.67 -0.00 0.00 0.00 178.16 176.15 2p1a n TRP 112 N -4.45 0.05 0.00 0.10 2.14 -1.26 -4.94 117.44 109.08 2p1a n TRP 112 Ca 0.07 -0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.62 2p1a n TRP 112 Cb 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.91 2p1a n TRP 112 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2p1a n GLY 113 N 0.77 3.04 3.73 -1.67 0.00 -0.26 -5.06 105.19 105.75 2p1a n GLY 113 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2p1a n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2p1a s ILE 114 N -2.85 3.32 -0.16 -0.61 -4.36 -1.26 -4.73 121.20 110.55 2p1a s ILE 114 Ca 0.00 1.06 -0.02 0.00 -0.26 0.00 0.00 60.65 61.42 2p1a s ILE 114 Cb 0.00 -3.68 -0.02 0.00 1.25 0.00 0.00 42.46 40.02 2p1a s ILE 114 CO 0.00 0.14 -0.07 -0.55 0.24 0.00 0.00 174.94 174.70 2p1a s SER 115 N 0.49 4.36 0.14 4.36 0.15 -1.26 -1.01 113.70 120.93 2p1a s SER 115 Ca 0.58 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.99 2p1a s SER 115 Cb -0.36 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 2p1a s SER 115 CO 0.36 0.12 -0.08 -0.31 1.20 0.00 0.00 173.24 174.53 2p1a s TYR 116 N 0.65 1.19 0.73 3.44 2.02 -0.82 -4.93 117.35 119.64 2p1a s TYR 116 Ca -0.04 -0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 55.71 2p1a s TYR 116 Cb -0.15 -0.63 0.04 0.00 -0.40 0.00 0.00 41.96 40.81 2p1a s TYR 116 CO 0.02 -0.00 1.10 -1.54 -1.57 0.00 0.00 175.55 173.56 2p1a s SER 117 N -3.15 4.68 0.21 2.29 1.04 -1.26 -0.39 113.70 117.12 2p1a s SER 117 Ca 0.17 1.90 -0.11 0.00 0.48 0.00 0.00 55.95 58.40 2p1a s SER 117 Cb 0.04 -2.53 0.15 0.00 0.10 0.00 0.00 66.02 63.77 2p1a s SER 117 CO 0.00 -1.92 1.87 0.03 0.98 0.00 0.00 173.24 174.21 2p1a h ARG 118 N -0.71 0.94 -0.54 4.02 3.08 -0.74 -1.29 114.38 119.14 2p1a h ARG 118 Ca -0.45 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.58 2p1a h ARG 118 Cb 1.24 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 2p1a h ARG 118 CO 0.52 0.62 0.30 0.35 -1.07 0.00 0.00 179.97 180.70 2p1a h PHE 119 N 0.97 0.56 -0.46 3.04 3.57 -1.30 -1.87 116.94 121.45 2p1a h PHE 119 Ca 0.27 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 2p1a h PHE 119 Cb -0.10 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 2p1a h PHE 119 CO -0.02 0.30 0.09 1.49 -2.23 0.00 0.00 178.31 177.93 2p1a h GLU 120 N 0.59 0.70 -0.36 1.11 4.81 -1.73 -2.45 114.58 117.26 2p1a h GLU 120 Ca 0.23 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2p1a h GLU 120 Cb 0.08 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 2p1a h GLU 120 CO -0.13 0.65 0.04 -1.49 -0.73 0.00 0.00 179.01 177.36 2p1a h TRP 121 N 0.68 0.07 -0.94 0.92 4.06 -0.49 0.31 115.95 120.55 2p1a h TRP 121 Ca 0.15 0.02 0.15 0.00 2.06 0.00 0.00 58.89 61.27 2p1a h TRP 121 Cb 0.29 0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 28.38 2p1a h TRP 121 CO 0.01 -0.02 0.55 1.25 -3.56 0.00 0.00 178.44 176.68 2p1a h LEU 122 N 0.16 0.74 -0.52 -4.49 5.85 -0.92 0.67 115.31 116.79 2p1a h LEU 122 Ca 0.17 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 2p1a h LEU 122 Cb 0.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2p1a h LEU 122 CO -0.25 0.34 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.76 2p1a h LEU 123 N 0.80 0.86 -1.10 2.25 3.38 -0.84 -2.37 115.31 118.28 2p1a h LEU 123 Ca 0.50 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2p1a h LEU 123 Cb 0.64 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2p1a h LEU 123 CO -0.33 1.12 0.42 -0.08 0.09 0.00 0.00 178.44 179.67 2p1a h GLU 124 N 0.67 1.05 -0.36 1.13 4.22 0.12 0.01 114.58 121.43 2p1a h GLU 124 Ca 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 2p1a h GLU 124 Cb 0.91 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2p1a h GLU 124 CO 0.08 0.76 0.16 0.82 -2.18 0.00 0.00 179.01 178.65 2p1a h ILE 125 N 1.06 1.18 -0.46 2.32 2.04 -0.74 0.30 117.51 123.21 2p1a h ILE 125 Ca 0.27 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2p1a h ILE 125 Cb 0.01 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2p1a h ILE 125 CO -0.05 0.19 0.20 0.58 0.00 0.00 0.00 178.15 179.07 2p1a h VAL 126 N 0.44 0.91 -0.28 1.67 2.07 -0.88 0.67 116.25 120.85 2p1a h VAL 126 Ca 0.12 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2p1a h VAL 126 Cb 0.16 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2p1a h VAL 126 CO -0.01 0.07 0.16 0.00 0.02 0.00 0.00 177.57 177.81 2p1a h ALA 127 N 1.27 0.36 -0.05 1.67 0.00 -0.61 -1.28 119.26 120.62 2p1a h ALA 127 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2p1a h ALA 127 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2p1a h ALA 127 CO -0.18 -0.12 -0.07 1.25 0.00 0.00 0.00 179.25 180.13 2p1a h HIS 128 N 0.35 -0.17 -0.03 0.00 6.17 0.06 0.19 115.15 121.72 2p1a h HIS 128 Ca 0.10 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.19 2p1a h HIS 128 Cb 0.04 0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.05 2p1a h HIS 128 CO -0.04 -0.11 0.02 0.35 0.71 0.00 0.00 177.93 178.86 2p1a h PHE 129 N -0.09 0.05 -0.49 5.26 3.04 -0.80 -2.07 116.94 121.82 2p1a h PHE 129 Ca 0.05 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 2p1a h PHE 129 Cb 0.16 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 2p1a h PHE 129 CO -0.16 0.14 0.12 1.88 -2.02 0.00 0.00 178.31 178.27 2p1a h TYR 130 N -0.05 0.76 0.67 0.41 0.05 -1.08 -0.57 116.97 117.16 2p1a h TYR 130 Ca 0.01 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 2p1a h TYR 130 Cb 0.11 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2p1a h TYR 130 CO -0.04 0.64 -0.36 1.25 -1.05 0.00 0.00 178.16 178.60 2p1a h HIS 131 N 0.72 -0.96 -0.26 4.88 2.76 -0.41 0.96 115.15 122.84 2p1a h HIS 131 Ca 0.16 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2p1a h HIS 131 Cb 0.26 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 2p1a h HIS 131 CO 0.01 -0.57 -0.06 0.45 -1.30 0.00 0.00 177.93 176.47 2p1a h HIS 132 N -0.96 0.43 -0.15 5.26 3.86 -1.28 -1.28 115.15 121.02 2p1a h HIS 132 Ca -0.09 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 2p1a h HIS 132 Cb 0.76 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2p1a h HIS 132 CO -0.06 0.47 -0.34 -0.09 0.86 0.00 0.00 177.93 178.77 2p1a h ARG 133 N 0.39 0.31 -0.56 2.45 2.43 -0.99 -2.25 114.38 116.16 2p1a h ARG 133 Ca 0.08 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2p1a h ARG 133 Cb 0.35 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2p1a h ARG 133 CO 0.02 0.62 0.13 0.78 -1.51 0.00 0.00 179.97 180.00 2p1a h GLY 134 N 1.11 0.98 0.90 2.80 0.00 0.29 -0.83 103.07 108.32 2p1a h GLY 134 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.75 2p1a h GLY 134 CO 0.06 0.58 0.15 1.46 0.00 0.00 0.00 176.54 178.79 2p1a h GLN 135 N 0.81 0.30 -0.14 4.80 4.20 -1.07 -2.68 115.11 121.33 2p1a h GLN 135 Ca 0.18 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2p1a h GLN 135 Cb 0.36 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2p1a h GLN 135 CO 0.00 0.20 0.08 0.82 -0.67 0.00 0.00 178.83 179.27 2p1a h ILE 136 N 0.31 1.02 -0.37 2.54 2.04 -1.36 -2.99 117.51 118.71 2p1a h ILE 136 Ca 0.11 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.99 2p1a h ILE 136 Cb 0.02 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 2p1a h ILE 136 CO -0.07 0.03 -0.15 -0.74 0.00 0.00 0.00 178.15 177.23 2p1a h HIS 137 N 0.18 -0.36 -0.64 1.37 2.76 -0.96 -0.19 115.15 117.30 2p1a h HIS 137 Ca 0.06 0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.21 2p1a h HIS 137 Cb -0.01 0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 2p1a h HIS 137 CO -0.08 -0.23 0.17 0.97 -1.30 0.00 0.00 177.93 177.47 2p1a h ILE 138 N -0.08 1.25 0.00 6.26 6.09 -1.51 -2.50 117.51 127.03 2p1a h ILE 138 Ca 0.18 -0.90 0.00 0.00 -1.37 0.00 0.00 64.86 62.77 2p1a h ILE 138 Cb 0.36 0.61 0.00 0.00 0.47 0.00 0.00 36.82 38.26 2p1a h ILE 138 CO -0.42 0.34 0.00 -0.07 -3.07 0.00 0.00 178.15 174.93 2p1a h LEU 139 N 0.94 0.00 -0.51 2.19 3.38 -1.24 -2.34 115.31 117.73 2p1a h LEU 139 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2p1a h LEU 139 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2p1a h LEU 139 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2p1a n LEU 140 N -2.32 0.62 -2.00 1.67 4.77 -0.14 -2.45 117.00 117.14 2p1a n LEU 140 Ca 0.03 0.63 -0.22 0.00 -0.03 0.00 0.00 56.01 56.42 2p1a n LEU 140 Cb 0.27 -0.53 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 2p1a n LEU 140 CO 0.22 -0.46 1.24 0.00 -1.33 0.00 0.00 177.39 177.06