#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upu h GLU 22 N 0.00 0.38 -0.35 2.61 4.81 -1.99 -0.35 114.58 119.69 1upu h GLU 22 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1upu h GLU 22 Cb 0.00 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1upu h GLU 22 CO 0.00 0.25 0.04 1.49 -0.73 0.00 0.00 179.01 180.06 1upu h GLU 23 N 0.39 0.53 0.53 1.92 4.22 -2.00 -0.73 114.58 119.44 1upu h GLU 23 Ca 0.56 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.87 1upu h GLU 23 Cb 1.06 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1upu h GLU 23 CO -0.53 0.52 -0.25 0.66 -2.18 0.00 0.00 179.01 177.23 1upu h SER 24 N 0.51 -0.60 -0.38 1.04 4.64 -1.54 -2.51 113.55 114.72 1upu h SER 24 Ca 0.12 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1upu h SER 24 Cb 0.27 0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.44 1upu h SER 24 CO 0.00 -0.27 -0.48 0.40 -0.87 0.00 0.00 176.83 175.62 1upu h ILE 25 N -0.96 0.00 -0.84 0.95 2.04 -0.90 -0.60 117.51 117.20 1upu h ILE 25 Ca -0.07 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.98 1upu h ILE 25 Cb 0.62 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.59 1upu h ILE 25 CO 0.12 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.53 1upu h LEU 26 N -0.32 0.27 -0.13 1.44 -0.00 -1.20 -0.60 115.31 114.78 1upu h LEU 26 Ca 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1upu h LEU 26 Cb 0.50 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 1upu h LEU 26 CO -0.52 0.03 0.08 -0.61 -0.00 0.00 0.00 178.44 177.42 1upu h GLN 27 N 0.40 0.17 0.21 1.13 5.75 -0.72 -0.24 115.11 121.81 1upu h GLN 27 Ca 0.50 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 59.00 1upu h GLN 27 Cb 0.88 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 1upu h GLN 27 CO -0.49 0.13 -0.34 0.22 -2.65 0.00 0.00 178.83 175.70 1upu h ASP 28 N 0.16 -0.96 0.10 -0.69 3.58 0.31 0.18 116.42 119.10 1upu h ASP 28 Ca 0.05 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.62 1upu h ASP 28 Cb 0.00 0.35 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1upu h ASP 28 CO -0.01 -0.45 -0.30 0.40 -2.88 0.00 0.00 179.24 176.00 1upu h ILE 29 N -0.63 0.35 -0.79 2.25 1.08 -1.37 0.84 117.51 119.23 1upu h ILE 29 Ca 0.01 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.60 1upu h ILE 29 Cb 0.62 0.35 -0.08 0.00 -3.07 0.00 0.00 36.82 34.63 1upu h ILE 29 CO -0.14 0.00 0.40 0.40 -0.69 0.00 0.00 178.15 178.12 1upu h ILE 30 N -0.51 0.79 -0.24 -0.67 2.04 -0.87 0.59 117.51 118.64 1upu h ILE 30 Ca 0.03 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1upu h ILE 30 Cb 0.55 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1upu h ILE 30 CO -0.19 0.11 -0.24 0.74 0.00 0.00 0.00 178.15 178.58 1upu h THR 31 N 0.63 1.32 0.00 -0.27 2.02 0.24 -3.30 112.91 113.54 1upu h THR 31 Ca 0.41 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1upu h THR 31 Cb 0.51 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1upu h THR 31 CO -0.32 0.44 -0.23 -0.09 0.37 0.00 0.00 175.52 175.69 1upu h ARG 32 N 0.28 0.00 -2.84 6.66 2.43 0.13 -3.40 114.38 117.64 1upu h ARG 32 Ca 0.04 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.60 1upu h ARG 32 Cb 0.80 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.95 1upu h ARG 32 CO 0.06 0.00 -0.76 -0.06 -1.51 0.00 0.00 179.97 177.70 1upu s PHE 33 N -3.22 2.04 0.16 2.20 0.08 0.20 -4.94 117.98 114.50 1upu s PHE 33 Ca 0.06 -2.55 0.24 0.00 0.12 0.00 0.00 56.93 54.80 1upu s PHE 33 Cb 0.07 -1.78 1.33 0.00 -0.57 0.00 0.00 43.02 42.07 1upu s PHE 33 CO 0.69 -0.75 1.72 -1.00 -0.10 0.00 0.00 175.22 175.78 1upu h PRO 34 N 6.21 0.00 -0.65 0.24 0.13 -1.79 -2.23 132.00 133.90 1upu h PRO 34 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1upu h PRO 34 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1upu h PRO 34 CO 0.49 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.35 1upu n ASN 35 N -2.45 4.44 -4.59 1.44 4.13 -1.26 -4.89 115.26 112.09 1upu n ASN 35 Ca -0.02 -2.58 -0.33 0.00 1.68 0.00 0.00 54.58 53.33 1upu n ASN 35 Cb 0.18 -0.60 -0.11 0.00 -1.54 0.00 0.00 39.78 37.72 1upu n ASN 35 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1upu s VAL 36 N -2.15 3.68 -0.17 2.41 0.11 -0.84 -1.67 120.40 121.77 1upu s VAL 36 Ca 0.43 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1upu s VAL 36 Cb 0.31 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.63 1upu s VAL 36 CO 0.16 0.52 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.56 1upu s VAL 37 N -0.89 2.15 -0.13 2.04 1.01 0.18 -4.97 120.40 119.79 1upu s VAL 37 Ca 0.14 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1upu s VAL 37 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1upu s VAL 37 CO 0.04 0.54 0.16 -0.22 0.00 0.00 0.00 175.10 175.61 1upu s LEU 38 N 1.17 4.36 0.70 3.92 2.96 -1.26 -0.56 118.68 129.97 1upu s LEU 38 Ca 0.02 0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 1upu s LEU 38 Cb -0.14 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1upu s LEU 38 CO -0.09 0.36 1.07 -0.04 -1.32 0.00 0.00 176.35 176.32 1upu s MET 39 N -0.76 2.82 0.14 1.98 -1.94 -0.34 -4.90 119.30 116.30 1upu s MET 39 Ca 0.14 1.03 -0.31 0.00 -1.71 0.00 0.00 55.69 54.84 1upu s MET 39 Cb -0.12 -1.97 -0.10 0.00 2.01 0.00 0.00 34.83 34.65 1upu s MET 39 CO 0.04 -1.20 1.62 0.21 -0.01 0.00 0.00 175.02 175.68 1upu s LYS 40 N -4.92 4.20 -1.26 2.03 2.20 -1.26 -4.84 119.74 115.88 1upu s LYS 40 Ca 0.59 2.39 -0.18 0.00 -0.36 0.00 0.00 55.97 58.41 1upu s LYS 40 Cb -0.15 -3.28 0.07 0.00 -1.51 0.00 0.00 37.83 32.97 1upu s LYS 40 CO 0.54 -0.67 1.69 -0.65 -0.36 0.00 0.00 175.35 175.90 1upu s GLN 41 N 1.59 3.95 0.59 4.03 -1.52 -1.26 -4.88 119.66 122.16 1upu s GLN 41 Ca 0.72 -1.92 -0.05 0.00 -1.95 0.00 0.00 55.36 52.16 1upu s GLN 41 Cb -0.44 -5.50 0.02 0.00 -0.22 0.00 0.00 33.01 26.87 1upu s GLN 41 CO 0.32 -2.23 0.88 0.95 -0.25 0.00 0.00 175.29 174.95 1upu s THR 42 N 4.20 3.41 0.27 -0.19 -4.23 -1.26 -4.92 115.64 112.92 1upu s THR 42 Ca 0.53 -0.16 -0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1upu s THR 42 Cb 0.03 -3.35 0.10 0.00 1.34 0.00 0.00 72.50 70.63 1upu s THR 42 CO 0.06 -0.34 1.76 0.00 -0.54 0.00 0.00 174.62 175.56 1upu h ALA 43 N -0.14 1.12 -0.23 3.99 0.00 -1.99 -0.49 119.26 121.52 1upu h ALA 43 Ca -0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1upu h ALA 43 Cb 1.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1upu h ALA 43 CO 0.59 0.55 0.11 1.96 0.00 0.00 0.00 179.25 182.47 1upu h GLN 44 N 0.64 0.34 -0.57 0.00 1.08 -1.98 0.19 115.11 114.81 1upu h GLN 44 Ca 0.12 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 1upu h GLN 44 Cb 0.50 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 1upu h GLN 44 CO 0.03 0.35 0.24 1.25 -0.95 0.00 0.00 178.83 179.75 1upu h LEU 45 N 0.24 0.29 -0.45 1.46 6.46 -1.74 0.14 115.31 121.71 1upu h LEU 45 Ca 0.08 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1upu h LEU 45 Cb 0.13 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1upu h LEU 45 CO -0.01 0.19 0.30 0.03 -0.62 0.00 0.00 178.44 178.33 1upu h ARG 46 N 0.45 0.60 -0.67 1.25 2.47 -0.70 -0.67 114.38 117.11 1upu h ARG 46 Ca 0.27 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 59.01 1upu h ARG 46 Cb 0.27 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.40 1upu h ARG 46 CO -0.24 0.41 0.38 0.00 0.56 0.00 0.00 179.97 181.08 1upu h ALA 47 N 1.16 0.90 -0.37 0.04 0.00 0.97 0.35 119.26 122.31 1upu h ALA 47 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1upu h ALA 47 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1upu h ALA 47 CO -0.03 0.06 0.16 0.52 0.00 0.00 0.00 179.25 179.96 1upu h MET 48 N 0.70 0.54 -0.89 0.00 2.86 -0.22 -2.01 114.93 115.90 1upu h MET 48 Ca 0.30 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.88 1upu h MET 48 Cb 0.18 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 1upu h MET 48 CO -0.18 0.51 0.59 0.52 1.06 0.00 0.00 176.91 179.41 1upu h MET 49 N 0.45 1.09 -0.50 1.72 2.07 -0.31 0.32 114.93 119.76 1upu h MET 49 Ca 0.12 -0.07 -0.08 0.00 -2.07 0.00 0.00 59.70 57.60 1upu h MET 49 Cb 0.16 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.62 1upu h MET 49 CO -0.01 0.72 -0.03 0.00 1.07 0.00 0.00 176.91 178.66 1upu h THR 50 N 1.12 1.25 -0.01 2.22 1.03 0.36 -0.64 112.91 118.24 1upu h THR 50 Ca 0.35 -1.09 -0.00 0.00 -0.01 0.00 0.00 66.41 65.67 1upu h THR 50 Cb 0.02 0.89 -0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1upu h THR 50 CO -0.11 0.38 -0.00 0.40 -0.01 0.00 0.00 175.52 176.18 1upu h ILE 51 N 0.80 1.34 -0.38 0.00 2.04 -0.83 -2.29 117.51 118.19 1upu h ILE 51 Ca 0.15 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1upu h ILE 51 Cb 0.51 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1upu h ILE 51 CO 0.03 0.27 0.24 0.16 0.00 0.00 0.00 178.15 178.84 1upu h ILE 52 N -0.41 1.11 0.01 -0.67 3.07 -0.76 -2.76 117.51 117.09 1upu h ILE 52 Ca 0.00 -0.22 -0.20 0.00 1.55 0.00 0.00 64.86 65.99 1upu h ILE 52 Cb 0.44 0.56 -0.01 0.00 -0.27 0.00 0.00 36.82 37.54 1upu h ILE 52 CO 0.00 0.11 -0.91 0.03 -1.05 0.00 0.00 178.15 176.33 1upu h ARG 53 N 0.52 0.17 -6.21 0.16 3.08 -1.12 -3.45 114.38 107.53 1upu h ARG 53 Ca 0.14 -0.20 -0.70 0.00 0.07 0.00 0.00 59.98 59.29 1upu h ARG 53 Cb -0.03 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.10 1upu h ARG 53 CO -0.03 0.97 0.84 -3.47 -1.07 0.00 0.00 179.97 177.21 1upu n ASP 54 N -3.61 2.45 0.07 7.04 -0.08 -0.86 -4.82 116.55 116.74 1upu n ASP 54 Ca -0.03 1.07 0.10 0.00 -1.51 0.00 0.00 54.79 54.42 1upu n ASP 54 Cb 0.83 -1.20 0.43 0.00 2.34 0.00 0.00 41.12 43.52 1upu n ASP 54 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1upu n LYS 55 N 4.95 0.12 0.00 -0.67 2.85 -1.26 -2.63 118.16 121.51 1upu n LYS 55 Ca 0.24 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.94 1upu n LYS 55 Cb 0.17 -1.71 0.26 0.00 -0.65 0.00 0.00 35.03 33.10 1upu n LYS 55 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1upu n GLU 56 N -1.93 1.23 -2.37 -1.58 -0.58 -1.26 -4.92 120.64 109.23 1upu n GLU 56 Ca 0.03 -0.87 -0.42 0.00 -0.42 0.00 0.00 57.16 55.49 1upu n GLU 56 Cb 0.23 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1upu n GLU 56 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1upu s THR 57 N -2.36 3.91 0.59 2.62 -4.23 -1.08 -4.99 115.64 110.10 1upu s THR 57 Ca 0.25 1.36 -0.19 0.00 -1.18 0.00 0.00 61.69 61.94 1upu s THR 57 Cb 0.19 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1upu s THR 57 CO 0.48 0.10 1.22 -2.16 -0.54 0.00 0.00 174.62 173.72 1upu s PRO 58 N 1.16 2.95 0.43 3.99 0.05 -1.26 -4.75 135.00 137.58 1upu s PRO 58 Ca 0.60 1.87 0.19 0.00 0.05 0.00 0.00 61.00 63.71 1upu s PRO 58 Cb -0.31 -1.94 1.14 0.00 0.05 0.00 0.00 34.50 33.44 1upu s PRO 58 CO 0.29 -1.23 1.86 1.57 0.05 0.00 0.00 177.00 179.54 1upu h LYS 59 N 0.90 0.34 -0.09 4.56 2.10 -1.94 -0.21 116.57 122.23 1upu h LYS 59 Ca -0.51 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.08 1upu h LYS 59 Cb 1.30 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1upu h LYS 59 CO 0.55 0.22 -0.13 1.05 -2.00 0.00 0.00 179.45 179.15 1upu h GLU 60 N 0.35 0.24 -0.24 0.07 9.09 -1.96 -1.66 114.58 120.47 1upu h GLU 60 Ca 0.47 -0.14 0.01 0.00 0.05 0.00 0.00 59.36 59.74 1upu h GLU 60 Cb 1.25 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1upu h GLU 60 CO -0.16 0.70 0.15 0.93 0.05 0.00 0.00 179.01 180.68 1upu h GLU 61 N -0.19 0.29 -0.61 1.06 4.39 -1.68 0.58 114.58 118.41 1upu h GLU 61 Ca 0.01 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1upu h GLU 61 Cb 0.68 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.15 1upu h GLU 61 CO 0.03 0.19 -0.01 0.35 -1.16 0.00 0.00 179.01 178.42 1upu h PHE 62 N 0.30 -0.06 -0.35 4.33 3.04 -1.02 0.80 116.94 123.99 1upu h PHE 62 Ca 0.09 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 62.01 1upu h PHE 62 Cb -0.01 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1upu h PHE 62 CO -0.07 -0.17 -0.08 0.28 -2.02 0.00 0.00 178.31 176.25 1upu h VAL 63 N 0.11 1.28 -0.13 1.41 2.07 -0.75 -1.45 116.25 118.78 1upu h VAL 63 Ca 0.32 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1upu h VAL 63 Cb 0.52 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1upu h VAL 63 CO -0.53 0.37 0.08 0.15 0.02 0.00 0.00 177.57 177.66 1upu h PHE 64 N 0.46 0.18 -0.49 1.57 3.57 0.28 -1.34 116.94 121.18 1upu h PHE 64 Ca 0.09 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1upu h PHE 64 Cb 0.58 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1upu h PHE 64 CO 0.05 0.17 -0.15 1.88 -2.23 0.00 0.00 178.31 178.02 1upu h TYR 65 N 0.14 1.06 -0.66 0.41 0.05 -0.93 -2.10 116.97 114.94 1upu h TYR 65 Ca 0.05 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 1upu h TYR 65 Cb 0.04 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 1upu h TYR 65 CO -0.05 1.02 0.24 0.00 -1.05 0.00 0.00 178.16 178.32 1upu h ALA 66 N 0.98 0.86 -0.54 3.88 0.00 -1.14 -1.23 119.26 122.08 1upu h ALA 66 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1upu h ALA 66 Cb 0.70 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1upu h ALA 66 CO 0.05 0.50 0.25 -0.44 0.00 0.00 0.00 179.25 179.61 1upu h ASP 67 N 0.95 0.72 -0.43 0.00 3.32 -1.17 0.33 116.42 120.14 1upu h ASP 67 Ca 0.22 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1upu h ASP 67 Cb 0.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1upu h ASP 67 CO -0.01 0.67 0.26 -0.09 -1.72 0.00 0.00 179.24 178.35 1upu h ARG 68 N 0.73 0.58 -0.12 3.56 2.43 -1.00 -0.05 114.38 120.52 1upu h ARG 68 Ca 0.18 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 1upu h ARG 68 Cb 0.15 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1upu h ARG 68 CO -0.02 0.43 -0.62 1.25 -1.51 0.00 0.00 179.97 179.50 1upu h LEU 69 N 0.57 0.47 -1.00 3.80 6.46 -0.99 -2.53 115.31 122.09 1upu h LEU 69 Ca 0.15 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.57 1upu h LEU 69 Cb -0.01 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 1upu h LEU 69 CO -0.03 0.97 -0.04 0.40 -0.62 0.00 0.00 178.44 179.12 1upu h ILE 70 N 0.30 1.23 -0.29 4.05 2.04 0.04 -1.57 117.51 123.32 1upu h ILE 70 Ca -0.01 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1upu h ILE 70 Cb 1.16 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1upu h ILE 70 CO 0.11 0.34 0.17 -0.09 0.00 0.00 0.00 178.15 178.67 1upu h ARG 71 N 0.63 0.33 -0.77 2.37 9.65 -0.60 -1.15 114.38 124.84 1upu h ARG 71 Ca 0.12 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1upu h ARG 71 Cb 0.45 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 1upu h ARG 71 CO 0.02 0.22 0.43 -0.07 2.80 0.00 0.00 179.97 183.37 1upu h LEU 72 N 0.34 0.95 0.17 3.80 3.38 -1.12 -2.42 115.31 120.42 1upu h LEU 72 Ca 0.11 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1upu h LEU 72 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1upu h LEU 72 CO -0.06 0.76 -0.08 0.25 0.09 0.00 0.00 178.44 179.40 1upu h LEU 73 N 1.08 -0.20 -1.09 1.67 5.85 -0.67 -1.77 115.31 120.18 1upu h LEU 73 Ca 0.27 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1upu h LEU 73 Cb 0.02 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1upu h LEU 73 CO -0.05 -0.12 0.61 0.40 -0.34 0.00 0.00 178.44 178.94 1upu h ILE 74 N -0.25 1.20 -0.50 4.05 1.08 -1.08 -0.46 117.51 121.55 1upu h ILE 74 Ca -0.02 -0.42 -0.04 0.00 -0.39 0.00 0.00 64.86 63.98 1upu h ILE 74 Cb 0.19 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.80 1upu h ILE 74 CO 0.04 0.22 0.13 -0.33 -0.69 0.00 0.00 178.15 177.52 1upu h GLU 75 N 1.22 0.76 -0.29 2.37 4.39 -1.20 -0.58 114.58 121.24 1upu h GLU 75 Ca 0.35 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 1upu h GLU 75 Cb -0.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1upu h GLU 75 CO -0.09 0.68 -0.05 1.49 -1.16 0.00 0.00 179.01 179.88 1upu h GLU 76 N 0.73 0.55 -0.93 2.33 4.57 -0.27 -3.16 114.58 118.40 1upu h GLU 76 Ca 0.17 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1upu h GLU 76 Cb 0.26 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1upu h GLU 76 CO -0.00 0.73 0.53 0.00 -1.18 0.00 0.00 179.01 179.09 1upu h ALA 77 N 0.80 1.19 -0.10 2.92 0.00 -0.68 -2.12 119.26 121.27 1upu h ALA 77 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1upu h ALA 77 Cb 0.52 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1upu h ALA 77 CO 0.02 0.67 0.23 -0.07 0.00 0.00 0.00 179.25 180.10 1upu h LEU 78 N 1.29 0.00 -0.09 0.00 3.38 -1.08 0.32 115.31 119.13 1upu h LEU 78 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1upu h LEU 78 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1upu h LEU 78 CO -0.06 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.06 1upu n ASN 79 N -3.31 0.09 0.06 -0.43 4.13 -0.79 -2.27 115.26 112.73 1upu n ASN 79 Ca -0.00 0.52 0.12 0.00 1.68 0.00 0.00 54.58 56.90 1upu n ASN 79 Cb 0.32 -0.54 0.48 0.00 -1.54 0.00 0.00 39.78 38.50 1upu n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1upu n GLU 80 N -1.60 0.12 -2.21 3.52 -0.58 0.11 -4.84 120.64 115.16 1upu n GLU 80 Ca 0.04 0.18 -0.32 0.00 -0.42 0.00 0.00 57.16 56.63 1upu n GLU 80 Cb 0.19 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.39 1upu n GLU 80 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1upu s LEU 81 N -3.75 3.56 0.40 -4.62 1.43 -0.96 -5.03 118.68 109.70 1upu s LEU 81 Ca 0.10 1.70 -0.25 0.00 -1.03 0.00 0.00 54.13 54.65 1upu s LEU 81 Cb 0.14 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.75 1upu s LEU 81 CO 0.49 -0.89 1.15 -2.84 0.23 0.00 0.00 176.35 174.49 1upu s PRO 82 N -4.07 4.08 0.02 1.29 0.02 -1.26 -5.05 135.00 130.03 1upu s PRO 82 Ca 0.61 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.43 1upu s PRO 82 Cb -0.13 -2.67 -0.02 0.00 0.02 0.00 0.00 34.50 31.70 1upu s PRO 82 CO 0.34 -0.29 -0.04 -0.59 -0.33 0.00 0.00 177.00 176.10 1upu s PHE 83 N -1.44 0.36 0.21 6.54 -0.12 -1.26 -4.05 117.98 118.21 1upu s PHE 83 Ca 0.57 -0.50 0.05 0.00 -0.05 0.00 0.00 56.93 57.00 1upu s PHE 83 Cb -0.29 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 41.82 1upu s PHE 83 CO 0.37 -0.16 0.24 -1.14 -0.05 0.00 0.00 175.22 174.49 1upu s GLN 84 N -1.43 3.17 0.21 1.99 0.74 0.43 -4.88 119.66 119.89 1upu s GLN 84 Ca -0.14 -0.83 -0.18 0.00 0.05 0.00 0.00 55.36 54.26 1upu s GLN 84 Cb -0.10 -2.76 -0.08 0.00 1.10 0.00 0.00 33.01 31.18 1upu s GLN 84 CO -0.01 0.45 0.68 0.21 -0.55 0.00 0.00 175.29 176.08 1upu s LYS 85 N -3.57 4.16 -0.10 1.67 2.36 -1.26 0.15 119.74 123.15 1upu s LYS 85 Ca 0.33 0.75 -0.07 0.00 -2.55 0.00 0.00 55.97 54.44 1upu s LYS 85 Cb -0.09 -2.85 0.04 0.00 -1.05 0.00 0.00 37.83 33.87 1upu s LYS 85 CO 0.26 0.40 0.26 0.21 1.55 0.00 0.00 175.35 178.03 1upu s LYS 86 N -2.06 0.25 -0.07 4.03 2.20 0.72 -4.68 119.74 120.13 1upu s LYS 86 Ca 0.43 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.53 1upu s LYS 86 Cb -0.16 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.12 1upu s LYS 86 CO 0.20 -0.11 -0.12 -2.00 -0.36 0.00 0.00 175.35 172.96 1upu s GLU 87 N 0.84 2.70 0.19 4.03 2.12 -1.26 0.24 118.70 127.56 1upu s GLU 87 Ca -0.06 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.65 1upu s GLU 87 Cb -0.07 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.79 1upu s GLU 87 CO -0.05 0.58 -0.00 0.14 -0.54 0.00 0.00 175.26 175.39 1upu s VAL 88 N -0.61 0.79 -0.18 3.70 -7.23 0.48 -4.94 120.40 112.41 1upu s VAL 88 Ca 0.09 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1upu s VAL 88 Cb -0.11 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1upu s VAL 88 CO 0.01 -0.43 -0.08 0.28 -0.31 0.00 0.00 175.10 174.57 1upu s THR 89 N -3.58 3.24 1.09 5.32 -1.32 -1.26 0.88 115.64 120.01 1upu s THR 89 Ca 0.25 -0.56 -0.16 0.00 -1.21 0.00 0.00 61.69 60.01 1upu s THR 89 Cb 0.06 -2.42 0.24 0.00 -1.51 0.00 0.00 72.50 68.86 1upu s THR 89 CO 0.05 0.48 1.12 -0.89 -2.21 0.00 0.00 174.62 173.17 1upu s THR 90 N 0.89 1.80 -0.72 5.08 2.01 0.50 -4.87 115.64 120.34 1upu s THR 90 Ca -0.02 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.22 1upu s THR 90 Cb -0.15 -2.54 0.24 0.00 0.01 0.00 0.00 72.50 70.06 1upu s THR 90 CO 0.00 0.00 1.73 -2.65 -0.69 0.00 0.00 174.62 173.01 1upu n PRO 91 N -4.42 0.16 -0.03 4.92 -0.02 -1.26 -1.51 135.00 132.83 1upu n PRO 91 Ca 0.10 0.27 0.04 0.00 -2.02 0.00 0.00 63.50 61.89 1upu n PRO 91 Cb 0.59 -1.74 0.21 0.00 -0.02 0.00 0.00 33.50 32.54 1upu n PRO 91 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1upu n LEU 92 N -2.02 0.43 -3.36 2.45 4.77 -1.26 -4.86 117.00 113.15 1upu n LEU 92 Ca 0.04 -0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 55.63 1upu n LEU 92 Cb 0.30 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1upu n LEU 92 CO 0.23 0.10 0.17 0.47 -1.33 0.00 0.00 177.39 177.03 1upu n ASP 93 N -0.35 -4.04 -4.04 -1.43 8.00 -0.57 -5.02 116.55 109.11 1upu n ASP 93 Ca 0.07 -0.55 -0.10 0.00 0.71 0.00 0.00 54.79 54.92 1upu n ASP 93 Cb 0.09 -4.84 -0.11 0.00 -0.02 0.00 0.00 41.12 36.25 1upu n ASP 93 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1upu s VAL 94 N -3.32 0.29 0.39 2.53 -7.23 -1.25 -4.94 120.40 106.87 1upu s VAL 94 Ca 0.27 -1.20 -0.23 0.00 -1.81 0.00 0.00 61.98 59.01 1upu s VAL 94 Cb -0.12 -0.69 -0.10 0.00 0.56 0.00 0.00 36.38 36.03 1upu s VAL 94 CO 0.69 -0.58 0.96 -0.44 -0.31 0.00 0.00 175.10 175.41 1upu s SER 95 N -1.87 7.05 -0.02 4.85 0.01 -1.26 -0.37 113.70 122.08 1upu s SER 95 Ca -0.08 1.78 0.02 0.00 1.31 0.00 0.00 55.95 58.97 1upu s SER 95 Cb -0.06 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1upu s SER 95 CO -0.02 -0.28 -0.06 -0.47 0.41 0.00 0.00 173.24 172.82 1upu s TYR 96 N -1.93 0.66 -0.51 2.43 6.14 0.25 -4.88 117.35 119.52 1upu s TYR 96 Ca 0.58 -0.15 -0.15 0.00 0.64 0.00 0.00 57.07 57.99 1upu s TYR 96 Cb -0.14 -0.50 0.11 0.00 0.42 0.00 0.00 41.96 41.85 1upu s TYR 96 CO 0.18 -0.08 0.45 -1.01 0.64 0.00 0.00 175.55 175.73 1upu s HIS 97 N 0.29 3.26 0.00 4.97 3.76 -1.26 -0.39 115.29 125.92 1upu s HIS 97 Ca -0.04 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.70 1upu s HIS 97 Cb -0.08 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 30.09 1upu s HIS 97 CO -0.00 -0.93 0.00 0.41 -0.85 0.00 0.00 174.74 173.37 1upu n GLY 98 N 5.21 4.52 3.12 -2.22 0.00 0.67 -4.93 105.19 111.56 1upu n GLY 98 Ca -0.13 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.79 1upu n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upu s VAL 99 N 1.65 0.18 0.01 1.61 -7.23 -1.25 -0.20 120.40 115.16 1upu s VAL 99 Ca 0.00 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1upu s VAL 99 Cb 0.00 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1upu s VAL 99 CO 0.00 -0.74 -0.03 -0.55 -0.31 0.00 0.00 175.10 173.47 1upu s SER 100 N -2.98 0.31 -0.27 4.85 0.15 0.39 -4.66 113.70 111.49 1upu s SER 100 Ca 0.15 -0.20 -0.09 0.00 0.70 0.00 0.00 55.95 56.52 1upu s SER 100 Cb 0.08 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1upu s SER 100 CO -0.04 -0.07 0.12 -0.36 1.20 0.00 0.00 173.24 174.08 1upu s PHE 101 N -0.51 3.14 -0.27 3.44 0.40 -1.26 0.16 117.98 123.08 1upu s PHE 101 Ca -0.04 -0.38 0.13 0.00 -0.60 0.00 0.00 56.93 56.04 1upu s PHE 101 Cb -0.04 -2.30 -0.17 0.00 0.51 0.00 0.00 43.02 41.02 1upu s PHE 101 CO -0.00 -0.35 0.39 2.48 0.70 0.00 0.00 175.22 178.44 1upu n TYR 102 N 4.97 0.00 -1.65 0.36 4.11 -1.26 -4.99 117.16 118.70 1upu n TYR 102 Ca -0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.39 1upu n TYR 102 Cb 0.51 -0.17 0.08 0.00 -0.00 0.00 0.00 39.34 39.76 1upu n TYR 102 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1upu s SER 103 N -2.92 4.47 -0.00 9.48 0.01 -1.26 -5.00 113.70 118.47 1upu s SER 103 Ca -0.01 2.56 -0.20 0.00 1.31 0.00 0.00 55.95 59.61 1upu s SER 103 Cb 0.09 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1upu s SER 103 CO 0.53 -2.09 0.59 -0.54 0.41 0.00 0.00 173.24 172.14 1upu s LYS 104 N -3.51 4.30 0.18 12.44 1.02 -1.26 -5.02 119.74 127.89 1upu s LYS 104 Ca 0.81 0.72 0.04 0.00 0.02 0.00 0.00 55.97 57.56 1upu s LYS 104 Cb -0.35 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 1upu s LYS 104 CO 0.41 0.38 0.15 0.44 -0.92 0.00 0.00 175.35 175.81 1upu n ILE 105 N 2.67 0.00 -3.54 2.17 -5.35 -1.26 -1.55 119.36 112.50 1upu n ILE 105 Ca -0.07 -1.30 -0.07 0.00 -0.27 0.00 0.00 62.75 61.04 1upu n ILE 105 Cb 0.51 0.64 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 1upu n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upu s GLY 107 N -2.38 1.98 -0.23 0.00 0.00 -0.11 -1.55 107.32 105.03 1upu s GLY 107 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 1upu s GLY 107 CO -0.07 -0.85 -0.00 0.14 0.00 0.00 0.00 173.10 172.32 1upu s VAL 108 N -1.23 1.06 0.06 1.40 1.01 0.93 0.23 120.40 123.85 1upu s VAL 108 Ca 0.24 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 1upu s VAL 108 Cb -0.12 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 1upu s VAL 108 CO 0.16 -0.21 0.69 -0.44 0.00 0.00 0.00 175.10 175.30 1upu s SER 109 N 1.60 7.16 -0.40 3.32 0.01 0.10 -1.14 113.70 124.36 1upu s SER 109 Ca -0.02 1.38 -0.20 0.00 1.31 0.00 0.00 55.95 58.42 1upu s SER 109 Cb -0.18 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.63 1upu s SER 109 CO -0.09 0.11 0.59 -0.63 0.41 0.00 0.00 173.24 173.64 1upu s ILE 110 N -0.44 4.91 0.19 1.44 1.01 -0.71 -1.11 121.20 126.50 1upu s ILE 110 Ca 0.34 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 1upu s ILE 110 Cb -0.20 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1upu s ILE 110 CO 0.21 -0.44 1.17 -0.69 0.00 0.00 0.00 174.94 175.20 1upu s VAL 111 N 2.63 3.61 -0.19 2.92 1.01 0.14 0.02 120.40 130.53 1upu s VAL 111 Ca 0.21 1.38 0.17 0.00 0.00 0.00 0.00 61.98 63.74 1upu s VAL 111 Cb -0.15 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.11 1upu s VAL 111 CO 0.16 0.24 0.07 -1.14 0.00 0.00 0.00 175.10 174.43 1upu n ARG 112 N 2.34 0.84 -0.30 2.72 0.63 -1.26 -4.29 116.66 117.34 1upu n ARG 112 Ca 0.03 -0.01 0.01 0.00 -0.92 0.00 0.00 57.85 56.96 1upu n ARG 112 Cb 0.45 -1.50 0.08 0.00 0.45 0.00 0.00 32.46 31.94 1upu n ARG 112 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1upu h ALA 113 N 0.97 0.38 0.00 5.13 0.00 -1.92 0.20 119.26 124.02 1upu h ALA 113 Ca -0.52 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1upu h ALA 113 Cb 2.17 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 20.69 1upu h ALA 113 CO 0.03 -0.49 -0.02 0.78 0.00 0.00 0.00 179.25 179.55 1upu h GLY 114 N -0.03 0.00 1.25 0.00 0.00 -0.58 -2.47 103.07 101.25 1upu h GLY 114 Ca 0.37 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.79 1upu h GLY 114 CO -0.86 0.00 0.29 0.83 0.00 0.00 0.00 176.54 176.81 1upu h GLU 115 N 0.00 0.15 -0.14 4.80 5.08 -0.70 0.68 114.58 124.46 1upu h GLU 115 Ca -0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1upu h GLU 115 Cb 0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1upu h GLU 115 CO 0.00 0.10 0.19 0.66 -1.00 0.00 0.00 179.01 178.97 1upu h SER 116 N 0.16 0.00 0.54 1.42 4.64 -1.57 -0.88 113.55 117.85 1upu h SER 116 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1upu h SER 116 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1upu h SER 116 CO -0.03 0.00 -0.44 0.23 -0.87 0.00 0.00 176.83 175.73 1upu n MET 117 N -3.61 0.04 0.27 4.77 2.81 0.23 -4.34 117.12 117.30 1upu n MET 117 Ca 0.01 -0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 1upu n MET 117 Cb 0.30 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.23 1upu n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1upu h GLU 118 N 0.06 -0.65 -0.83 0.03 5.08 -1.20 -2.71 114.58 114.36 1upu h GLU 118 Ca 0.00 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.58 1upu h GLU 118 Cb 0.50 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 1upu h GLU 118 CO 0.00 -0.43 0.36 0.66 -1.00 0.00 0.00 179.01 178.60 1upu h SER 119 N -0.67 0.34 -0.27 1.42 4.64 -1.76 0.19 113.55 117.45 1upu h SER 119 Ca -0.06 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1upu h SER 119 Cb 0.54 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 1upu h SER 119 CO 0.08 0.09 0.09 1.23 -0.87 0.00 0.00 176.83 177.45 1upu h GLY 120 N 0.46 0.33 1.06 -0.77 0.00 -1.78 0.20 103.07 102.58 1upu h GLY 120 Ca 0.48 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1upu h GLY 120 CO -0.45 0.03 0.38 -2.00 0.00 0.00 0.00 176.54 174.50 1upu h LEU 121 N 0.22 1.10 -0.92 3.11 5.85 -0.40 -1.70 115.31 122.57 1upu h LEU 121 Ca 0.12 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1upu h LEU 121 Cb 0.08 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1upu h LEU 121 CO -0.12 0.94 0.00 0.03 -0.34 0.00 0.00 178.44 178.95 1upu h ARG 122 N 1.19 0.00 -0.20 1.25 3.08 -0.47 0.14 114.38 119.37 1upu h ARG 122 Ca 0.28 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.18 1upu h ARG 122 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1upu h ARG 122 CO -0.03 0.00 -0.47 0.00 -1.07 0.00 0.00 179.97 178.39 1upu h ALA 123 N 2.05 0.33 0.00 0.04 0.00 0.32 -3.29 119.26 118.71 1upu h ALA 123 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1upu h ALA 123 Cb 0.65 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1upu h ALA 123 CO 0.00 0.49 -1.38 1.33 0.00 0.00 0.00 179.25 179.69 1upu n VAL 124 N -4.17 0.88 -3.85 0.00 0.24 -1.03 -4.58 118.33 105.82 1upu n VAL 124 Ca -0.06 -0.63 -0.30 0.00 -2.04 0.00 0.00 64.34 61.31 1upu n VAL 124 Cb 0.58 -0.51 -0.13 0.00 -1.47 0.00 0.00 33.84 32.31 1upu n VAL 124 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1upu n ARG 126 N 3.18 2.41 -1.49 0.00 1.85 -1.24 -2.13 116.66 119.25 1upu n ARG 126 Ca 0.08 0.86 -0.17 0.00 -1.00 0.00 0.00 57.85 57.62 1upu n ARG 126 Cb 0.33 -2.59 -0.07 0.00 -1.05 0.00 0.00 32.46 29.09 1upu n ARG 126 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1upu n GLY 127 N 2.23 1.56 3.73 2.89 0.00 -1.26 -4.94 105.19 109.40 1upu n GLY 127 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1upu n GLY 127 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1upu n VAL 128 N -2.11 3.44 -2.21 1.61 3.14 -0.90 -4.90 118.33 116.40 1upu n VAL 128 Ca -0.17 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.30 1upu n VAL 128 Cb 0.54 -1.64 -0.03 0.00 -1.06 0.00 0.00 33.84 31.65 1upu n VAL 128 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1upu s ARG 129 N -2.69 4.40 -0.22 1.45 0.52 -1.26 -4.88 118.95 116.28 1upu s ARG 129 Ca 0.68 2.08 0.02 0.00 -0.52 0.00 0.00 55.73 57.99 1upu s ARG 129 Cb -0.44 -3.16 0.04 0.00 0.52 0.00 0.00 34.95 31.91 1upu s ARG 129 CO 0.52 -0.20 -0.16 0.42 0.02 0.00 0.00 175.30 175.90 1upu s ILE 130 N -0.32 2.08 0.30 1.52 1.01 -1.26 -0.94 121.20 123.60 1upu s ILE 130 Ca 0.54 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1upu s ILE 130 Cb -0.37 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1upu s ILE 130 CO 0.42 0.27 0.50 -0.83 0.00 0.00 0.00 174.94 175.30 1upu s GLY 131 N 1.21 1.45 -0.00 6.18 0.00 0.14 -4.84 107.32 111.46 1upu s GLY 131 Ca -0.01 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1upu s GLY 131 CO -0.09 -0.85 -0.06 0.54 0.00 0.00 0.00 173.10 172.64 1upu s LYS 132 N -4.02 0.48 -0.04 2.90 1.02 0.79 -0.72 119.74 120.14 1upu s LYS 132 Ca 0.39 -0.25 -0.00 0.00 0.02 0.00 0.00 55.97 56.13 1upu s LYS 132 Cb -0.10 -0.45 0.03 0.00 -0.52 0.00 0.00 37.83 36.79 1upu s LYS 132 CO 0.33 0.12 -0.00 0.42 -0.92 0.00 0.00 175.35 175.30 1upu s ILE 133 N -0.22 0.29 -0.38 2.17 1.01 -0.27 -0.83 121.20 122.97 1upu s ILE 133 Ca 0.01 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 1upu s ILE 133 Cb -0.03 -0.40 0.06 0.00 0.01 0.00 0.00 42.46 42.11 1upu s ILE 133 CO -0.00 0.20 0.17 -0.22 0.00 0.00 0.00 174.94 175.09 1upu s LEU 134 N 1.34 4.73 -0.09 2.97 2.96 0.20 0.23 118.68 131.02 1upu s LEU 134 Ca -0.05 -1.39 0.01 0.00 -0.22 0.00 0.00 54.13 52.48 1upu s LEU 134 Cb -0.13 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1upu s LEU 134 CO -0.02 -0.43 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.85 1upu s ILE 135 N 1.38 3.42 0.01 6.68 1.01 -1.26 0.01 121.20 132.44 1upu s ILE 135 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1upu s ILE 135 Cb -0.21 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 1upu s ILE 135 CO 0.02 0.56 -0.09 -1.58 0.00 0.00 0.00 174.94 173.85 1upu s GLN 136 N -0.36 0.66 -0.03 2.79 2.00 0.21 -4.89 119.66 120.04 1upu s GLN 136 Ca 0.04 -0.45 -0.24 0.00 -2.00 0.00 0.00 55.36 52.72 1upu s GLN 136 Cb -0.12 -0.61 -0.04 0.00 0.80 0.00 0.00 33.01 33.04 1upu s GLN 136 CO 0.02 0.16 0.73 1.03 -0.50 0.00 0.00 175.29 176.73 1upu s ARG 137 N -0.61 4.45 0.07 1.67 0.52 -1.26 0.95 118.95 124.74 1upu s ARG 137 Ca 0.00 0.95 -0.35 0.00 -0.52 0.00 0.00 55.73 55.82 1upu s ARG 137 Cb -0.05 -3.42 -0.14 0.00 0.52 0.00 0.00 34.95 31.86 1upu s ARG 137 CO 0.00 0.13 1.61 -3.47 0.02 0.00 0.00 175.30 173.59 1upu n ASP 138 N 3.48 2.87 0.14 0.23 -0.08 0.26 -4.72 116.55 118.74 1upu n ASP 138 Ca -0.01 1.06 0.17 0.00 -1.51 0.00 0.00 54.79 54.51 1upu n ASP 138 Cb 0.51 -1.35 0.61 0.00 2.34 0.00 0.00 41.12 43.22 1upu n ASP 138 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1upu h GLU 139 N 6.48 0.00 0.00 -0.67 3.07 -1.94 0.87 114.58 122.39 1upu h GLU 139 Ca -0.46 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.26 1upu h GLU 139 Cb 1.28 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.17 1upu h GLU 139 CO 0.89 0.00 -1.46 2.41 -1.40 0.00 0.00 179.01 179.45 1upu n THR 140 N -3.21 0.45 0.07 1.13 -1.04 -1.26 -4.75 114.28 105.67 1upu n THR 140 Ca 0.06 -0.13 -0.06 0.00 -2.04 0.00 0.00 64.05 61.88 1upu n THR 140 Cb 0.77 -1.46 -0.10 0.00 -1.82 0.00 0.00 70.33 67.72 1upu n THR 140 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1upu h THR 141 N -0.24 1.69 0.00 12.58 2.02 -1.91 -3.47 112.91 123.58 1upu h THR 141 Ca -0.20 -3.32 0.00 0.00 0.77 0.00 0.00 66.41 63.66 1upu h THR 141 Cb 1.20 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 1upu h THR 141 CO -0.11 0.95 0.00 0.00 0.37 0.00 0.00 175.52 176.73 1upu n ALA 142 N -2.35 0.00 -2.31 6.16 0.00 0.30 -4.88 120.51 117.42 1upu n ALA 142 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1upu n ALA 142 Cb 0.91 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 1upu n ALA 142 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1upu s GLU 143 N -0.29 4.48 0.06 0.00 2.02 -1.26 -4.26 118.70 119.44 1upu s GLU 143 Ca 0.00 1.76 -0.30 0.00 0.02 0.00 0.00 54.97 56.45 1upu s GLU 143 Cb 0.00 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 1upu s GLU 143 CO 0.00 -0.16 1.14 -2.14 0.02 0.00 0.00 175.26 174.12 1upu s PRO 144 N 0.60 4.48 0.01 0.39 0.02 -1.26 0.91 135.00 140.16 1upu s PRO 144 Ca 0.56 1.69 0.03 0.00 0.02 0.00 0.00 61.00 63.30 1upu s PRO 144 Cb -0.30 -3.36 -0.01 0.00 0.02 0.00 0.00 34.50 30.85 1upu s PRO 144 CO 0.31 -0.17 -0.10 0.21 -0.33 0.00 0.00 177.00 176.93 1upu s LYS 145 N 0.85 0.72 -0.13 5.54 2.36 0.27 -4.91 119.74 124.44 1upu s LYS 145 Ca 0.56 -0.49 -0.29 0.00 -2.55 0.00 0.00 55.97 53.20 1upu s LYS 145 Cb -0.28 -0.67 -0.04 0.00 -1.05 0.00 0.00 37.83 35.80 1upu s LYS 145 CO 0.30 0.17 1.55 -1.17 1.55 0.00 0.00 175.35 177.75 1upu s LEU 146 N -0.66 4.17 -0.26 5.43 0.20 -1.26 -0.62 118.68 125.68 1upu s LEU 146 Ca 0.01 1.93 0.00 0.00 0.69 0.00 0.00 54.13 56.76 1upu s LEU 146 Cb -0.05 -3.53 -0.17 0.00 -0.43 0.00 0.00 46.19 42.00 1upu s LEU 146 CO 0.00 -0.98 -0.21 -0.38 -0.29 0.00 0.00 176.35 174.49 1upu n ILE 147 N 5.71 1.51 -3.68 6.68 2.08 0.10 -4.95 119.36 126.81 1upu n ILE 147 Ca 0.17 -0.56 -0.14 0.00 0.56 0.00 0.00 62.75 62.79 1upu n ILE 147 Cb 0.44 -1.48 -0.09 0.00 -0.75 0.00 0.00 39.64 37.77 1upu n ILE 147 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1upu s TYR 148 N -2.52 -0.61 -0.06 1.39 6.14 -0.95 -4.99 117.35 115.74 1upu s TYR 148 Ca -0.35 1.48 -0.12 0.00 0.64 0.00 0.00 57.07 58.72 1upu s TYR 148 Cb 0.09 0.21 0.02 0.00 0.42 0.00 0.00 41.96 42.71 1upu s TYR 148 CO 0.60 -0.30 0.29 -1.83 0.64 0.00 0.00 175.55 174.95 1upu s GLU 149 N 0.26 0.50 -0.24 4.97 4.04 -1.26 0.60 118.70 127.56 1upu s GLU 149 Ca -0.00 0.09 -0.02 0.00 0.04 0.00 0.00 54.97 55.07 1upu s GLU 149 Cb -0.04 0.23 0.12 0.00 0.02 0.00 0.00 34.13 34.46 1upu s GLU 149 CO 0.01 -0.11 0.31 0.15 -1.84 0.00 0.00 175.26 173.78 1upu s LYS 150 N -0.61 0.29 0.20 -4.83 -0.14 -0.01 -5.00 119.74 109.64 1upu s LYS 150 Ca -0.07 0.28 0.07 0.00 -1.36 0.00 0.00 55.97 54.89 1upu s LYS 150 Cb -0.04 -0.75 -0.05 0.00 -1.68 0.00 0.00 37.83 35.31 1upu s LYS 150 CO 0.02 -0.74 -0.14 -0.51 -0.76 0.00 0.00 175.35 173.22 1upu s LEU 151 N 2.44 2.55 0.51 3.17 1.02 -1.26 -0.15 118.68 126.96 1upu s LEU 151 Ca 0.10 -1.01 -0.23 0.00 0.02 0.00 0.00 54.13 53.01 1upu s LEU 151 Cb -0.15 -0.65 -0.06 0.00 0.02 0.00 0.00 46.19 45.34 1upu s LEU 151 CO -0.18 -0.17 1.30 -2.65 0.02 0.00 0.00 176.35 174.66 1upu n PRO 152 N -0.32 1.72 0.23 1.29 -0.02 -1.26 -4.86 135.00 131.77 1upu n PRO 152 Ca -0.08 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.08 1upu n PRO 152 Cb 0.60 -2.49 0.54 0.00 -0.02 0.00 0.00 33.50 32.14 1upu n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1upu h ALA 153 N 1.57 1.79 -0.41 3.55 0.00 -2.03 -2.87 119.26 120.86 1upu h ALA 153 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1upu h ALA 153 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1upu h ALA 153 CO 0.57 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 1upu n ASP 154 N -4.39 4.62 -0.45 0.00 5.75 -1.26 -4.68 116.55 116.13 1upu n ASP 154 Ca -0.02 -2.91 0.37 0.00 -0.01 0.00 0.00 54.79 52.21 1upu n ASP 154 Cb 0.19 -0.59 0.68 0.00 -1.03 0.00 0.00 41.12 40.37 1upu n ASP 154 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1upu h ILE 155 N 2.79 0.23 -0.14 2.12 2.10 -1.88 0.62 117.51 123.36 1upu h ILE 155 Ca 0.00 -0.04 0.04 0.00 1.08 0.00 0.00 64.86 65.94 1upu h ILE 155 Cb 1.63 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1upu h ILE 155 CO 0.32 0.02 0.11 0.08 -1.08 0.00 0.00 178.15 177.60 1upu h ARG 156 N 0.10 0.00 0.00 2.19 -0.00 -1.84 0.14 114.38 114.97 1upu h ARG 156 Ca 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.73 1upu h ARG 156 Cb 2.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 32.53 1upu h ARG 156 CO -0.23 0.00 -0.26 0.39 -0.00 0.00 0.00 179.97 179.88 1upu n GLU 157 N -4.27 0.11 -3.11 0.08 -0.58 0.22 -4.51 120.64 108.58 1upu n GLU 157 Ca 0.00 0.06 -0.19 0.00 -0.42 0.00 0.00 57.16 56.61 1upu n GLU 157 Cb 0.23 -1.60 0.03 0.00 -0.57 0.00 0.00 31.44 29.54 1upu n GLU 157 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1upu s ARG 158 N -3.05 2.54 -0.19 3.49 0.52 0.03 -4.83 118.95 117.47 1upu s ARG 158 Ca 0.11 -1.48 -0.09 0.00 -0.52 0.00 0.00 55.73 53.75 1upu s ARG 158 Cb 0.16 -2.65 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 1upu s ARG 158 CO 0.63 -0.55 0.11 -1.58 0.02 0.00 0.00 175.30 173.93 1upu s TRP 159 N -2.52 3.39 -0.18 -0.53 0.52 -0.59 -4.78 118.94 114.24 1upu s TRP 159 Ca 0.56 0.29 -0.07 0.00 0.02 0.00 0.00 56.10 56.91 1upu s TRP 159 Cb -0.07 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1upu s TRP 159 CO 0.35 0.31 0.05 0.08 0.02 0.00 0.00 176.95 177.75 1upu s VAL 160 N 0.21 4.66 -0.46 4.03 1.01 0.12 -2.16 120.40 127.81 1upu s VAL 160 Ca 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1upu s VAL 160 Cb -0.11 -3.09 0.10 0.00 0.00 0.00 0.00 36.38 33.27 1upu s VAL 160 CO -0.01 0.46 0.33 -0.04 0.00 0.00 0.00 175.10 175.84 1upu s MET 161 N 0.38 2.61 -0.26 2.72 -1.94 -0.60 0.21 119.30 122.42 1upu s MET 161 Ca 0.02 -1.60 -0.19 0.00 -1.71 0.00 0.00 55.69 52.21 1upu s MET 161 Cb -0.13 -3.91 -0.02 0.00 2.01 0.00 0.00 34.83 32.78 1upu s MET 161 CO 0.01 -1.09 0.55 -1.17 -0.01 0.00 0.00 175.02 173.31 1upu s LEU 162 N 1.43 4.06 -0.16 -0.03 2.96 -0.46 -0.05 118.68 126.43 1upu s LEU 162 Ca 0.04 0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 1upu s LEU 162 Cb -0.25 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.69 1upu s LEU 162 CO 0.01 -0.32 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.92 1upu s LEU 163 N 2.38 3.25 -0.30 -0.68 1.43 -0.29 -0.18 118.68 124.29 1upu s LEU 163 Ca 0.23 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1upu s LEU 163 Cb -0.16 -1.78 0.18 0.00 0.03 0.00 0.00 46.19 44.46 1upu s LEU 163 CO 0.09 0.16 0.89 -0.62 0.23 0.00 0.00 176.35 177.10 1upu s ASP 164 N 0.41 -0.80 0.34 2.29 -1.08 -1.11 -1.73 116.67 114.99 1upu s ASP 164 Ca -0.04 0.43 0.11 0.00 -0.52 0.00 0.00 52.55 52.53 1upu s ASP 164 Cb -0.14 1.64 0.89 0.00 -1.46 0.00 0.00 42.92 43.86 1upu s ASP 164 CO 0.03 -0.15 1.77 -0.65 0.52 0.00 0.00 175.17 176.69 1upu h PRO 165 N 7.93 0.58 -6.20 4.34 0.10 -1.82 -3.37 132.00 133.56 1upu h PRO 165 Ca -0.15 -0.03 -0.64 0.00 0.10 0.00 0.00 66.00 65.28 1upu h PRO 165 Cb 1.17 -0.13 -0.30 0.00 0.10 0.00 0.00 31.00 31.84 1upu h PRO 165 CO 0.02 0.38 -0.87 -1.64 0.10 0.00 0.00 178.00 176.00 1upu s MET 166 N -5.71 1.84 -0.40 1.05 -1.94 -1.26 -0.45 119.30 112.43 1upu s MET 166 Ca -0.10 -0.80 0.01 0.00 -1.71 0.00 0.00 55.69 53.09 1upu s MET 166 Cb 0.25 -1.77 0.13 0.00 2.01 0.00 0.00 34.83 35.45 1upu s MET 166 CO 0.80 0.48 0.20 0.00 -0.01 0.00 0.00 175.02 176.48 1upu n ALA 168 N 3.92 0.00 0.91 0.00 0.00 -1.26 -1.93 120.51 122.16 1upu n ALA 168 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1upu n ALA 168 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.91 1upu n ALA 168 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1upu n THR 169 N -0.62 0.04 -0.97 0.00 -2.24 -1.26 -2.73 114.28 106.50 1upu n THR 169 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1upu n THR 169 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1upu n THR 169 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upu n ALA 170 N -1.57 0.00 -0.18 6.98 0.00 -1.26 -4.64 120.51 119.84 1upu n ALA 170 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1upu n ALA 170 Cb 0.35 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 19.24 1upu n ALA 170 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upu h GLY 171 N 0.00 0.83 0.78 0.00 0.00 -1.96 -1.39 103.07 101.32 1upu h GLY 171 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1upu h GLY 171 CO 0.00 0.43 -0.30 1.76 0.00 0.00 0.00 176.54 178.43 1upu h SER 172 N 0.69 -0.71 -0.93 0.19 0.02 -1.98 -2.63 113.55 108.19 1upu h SER 172 Ca 0.17 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1upu h SER 172 Cb 0.21 0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1upu h SER 172 CO -0.01 -0.36 0.60 1.62 -1.14 0.00 0.00 176.83 177.54 1upu h VAL 173 N -1.07 1.07 -0.84 2.27 3.04 -1.94 -0.64 116.25 118.14 1upu h VAL 173 Ca -0.09 -0.36 0.08 0.00 -1.01 0.00 0.00 66.70 65.32 1upu h VAL 173 Cb 0.69 -0.08 -0.07 0.00 -2.01 0.00 0.00 31.29 29.81 1upu h VAL 173 CO 0.14 0.19 0.50 0.00 -1.01 0.00 0.00 177.57 177.40 1upu h LYS 175 N 0.88 0.79 -0.46 0.00 3.11 -0.88 -1.31 116.57 118.70 1upu h LYS 175 Ca 0.39 -0.31 -0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1upu h LYS 175 Cb 0.27 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 1upu h LYS 175 CO -0.21 0.93 0.21 0.00 -2.81 0.00 0.00 179.45 177.57 1upu h ALA 176 N 0.83 0.59 -0.51 5.00 0.00 -0.18 -2.04 119.26 122.95 1upu h ALA 176 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1upu h ALA 176 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1upu h ALA 176 CO 0.04 0.16 0.33 0.82 0.00 0.00 0.00 179.25 180.61 1upu h ILE 177 N 0.59 1.11 -0.70 0.00 2.04 -0.39 -1.35 117.51 118.82 1upu h ILE 177 Ca 0.16 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1upu h ILE 177 Cb 0.13 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 1upu h ILE 177 CO -0.02 0.12 0.27 -0.08 0.00 0.00 0.00 178.15 178.44 1upu h GLU 178 N 0.67 0.41 -0.18 2.37 4.81 -0.87 0.14 114.58 121.93 1upu h GLU 178 Ca 0.19 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 1upu h GLU 178 Cb -0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1upu h GLU 178 CO -0.06 0.27 -0.54 -0.24 -0.73 0.00 0.00 179.01 177.72 1upu h VAL 179 N 0.43 1.32 -0.55 0.32 3.04 -0.96 -1.58 116.25 118.28 1upu h VAL 179 Ca 0.37 -1.78 -0.02 0.00 -1.01 0.00 0.00 66.70 64.26 1upu h VAL 179 Cb 0.52 1.76 -0.03 0.00 -2.01 0.00 0.00 31.29 31.54 1upu h VAL 179 CO -0.37 0.55 0.26 -0.07 -1.01 0.00 0.00 177.57 176.94 1upu h LEU 180 N 0.42 0.72 -0.94 3.16 3.38 -0.01 -2.05 115.31 119.99 1upu h LEU 180 Ca 0.01 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1upu h LEU 180 Cb 1.07 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1upu h LEU 180 CO 0.10 0.65 0.62 -0.07 0.09 0.00 0.00 178.44 179.82 1upu h LEU 181 N 0.74 1.06 -1.84 1.67 3.38 -0.64 -0.93 115.31 118.75 1upu h LEU 181 Ca 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1upu h LEU 181 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1upu h LEU 181 CO -0.02 0.76 -0.14 0.08 0.09 0.00 0.00 178.44 179.21 1upu h ARG 182 N 1.25 0.00 0.00 1.13 0.11 -0.73 -0.31 114.38 115.82 1upu h ARG 182 Ca 0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.43 1upu h ARG 182 Cb -0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.98 1upu h ARG 182 CO -0.09 0.14 -0.02 1.28 0.10 0.00 0.00 179.97 181.38 1upu n LEU 183 N -4.00 0.76 0.00 0.08 4.77 -0.38 -4.92 117.00 113.30 1upu n LEU 183 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1upu n LEU 183 Cb 0.22 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1upu n LEU 183 CO 0.33 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1upu n GLY 184 N 1.32 0.95 3.77 -0.72 0.00 -0.13 -4.71 105.19 105.68 1upu n GLY 184 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1upu n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1upu s VAL 185 N -2.00 3.35 0.14 1.61 -7.23 -1.05 -4.72 120.40 110.50 1upu s VAL 185 Ca 0.00 1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 61.02 1upu s VAL 185 Cb 0.00 -3.65 -0.07 0.00 0.56 0.00 0.00 36.38 33.22 1upu s VAL 185 CO 0.00 0.12 1.06 -0.54 -0.31 0.00 0.00 175.10 175.44 1upu s LYS 186 N -2.17 4.61 0.32 4.82 -0.14 -1.26 -4.50 119.74 121.43 1upu s LYS 186 Ca 0.55 1.64 0.04 0.00 -1.36 0.00 0.00 55.97 56.84 1upu s LYS 186 Cb -0.29 -3.32 0.67 0.00 -1.68 0.00 0.00 37.83 33.21 1upu s LYS 186 CO 0.37 0.08 1.89 1.49 -0.76 0.00 0.00 175.35 178.42 1upu h GLU 187 N 5.43 0.84 0.00 1.68 4.81 -1.94 0.11 114.58 125.51 1upu h GLU 187 Ca -0.44 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1upu h GLU 187 Cb 1.21 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1upu h GLU 187 CO 0.73 0.56 -0.06 1.05 -0.73 0.00 0.00 179.01 180.55 1upu h GLU 188 N 0.87 0.00 -0.57 1.92 9.09 -1.92 -2.89 114.58 121.07 1upu h GLU 188 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1upu h GLU 188 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 1upu h GLU 188 CO -0.19 0.06 0.00 0.54 0.05 0.00 0.00 179.01 179.48 1upu n ARG 189 N -3.49 2.54 -3.68 1.06 1.74 0.02 -4.77 116.66 110.08 1upu n ARG 189 Ca -0.02 -1.64 -0.38 0.00 -0.77 0.00 0.00 57.85 55.04 1upu n ARG 189 Cb 0.19 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 29.91 1upu n ARG 189 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1upu s ILE 190 N -1.69 4.66 -0.43 0.55 1.01 -1.09 0.14 121.20 124.35 1upu s ILE 190 Ca 0.30 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 1upu s ILE 190 Cb 0.19 -3.26 0.10 0.00 0.01 0.00 0.00 42.46 39.50 1upu s ILE 190 CO 0.15 0.22 0.26 -0.63 0.00 0.00 0.00 174.94 174.94 1upu s ILE 191 N 1.65 3.85 -0.40 2.92 1.01 0.13 -0.97 121.20 129.39 1upu s ILE 191 Ca 0.06 -1.76 -0.29 0.00 0.00 0.00 0.00 60.65 58.66 1upu s ILE 191 Cb -0.16 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1upu s ILE 191 CO 0.06 -0.65 1.15 0.12 0.00 0.00 0.00 174.94 175.62 1upu s PHE 192 N 1.30 2.90 -0.33 3.97 5.36 0.39 -1.36 117.98 130.21 1upu s PHE 192 Ca 0.05 0.90 -0.14 0.00 -0.96 0.00 0.00 56.93 56.78 1upu s PHE 192 Cb -0.24 -4.12 -0.02 0.00 -0.34 0.00 0.00 43.02 38.30 1upu s PHE 192 CO -0.01 -1.18 0.29 0.08 -1.46 0.00 0.00 175.22 172.94 1upu s VAL 193 N 4.23 5.24 0.04 3.12 1.01 0.75 -0.29 120.40 134.49 1upu s VAL 193 Ca 0.49 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1upu s VAL 193 Cb -0.10 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1upu s VAL 193 CO 0.25 -0.02 -0.08 0.21 0.00 0.00 0.00 175.10 175.46 1upu s ASN 194 N 1.73 0.95 -0.10 3.32 3.84 0.35 -2.73 114.94 122.29 1upu s ASN 194 Ca 0.09 -0.51 -0.04 0.00 0.21 0.00 0.00 52.86 52.61 1upu s ASN 194 Cb -0.17 0.01 -0.01 0.00 -0.55 0.00 0.00 41.25 40.53 1upu s ASN 194 CO 0.11 -0.16 -0.07 0.40 -2.79 0.00 0.00 177.10 174.59 1upu h ILE 195 N 4.52 0.00 -4.38 -5.21 2.04 -1.29 -3.13 117.51 110.06 1upu h ILE 195 Ca -0.36 -0.85 -0.58 0.00 1.00 0.00 0.00 64.86 64.07 1upu h ILE 195 Cb 1.20 0.00 -0.29 0.00 -0.74 0.00 0.00 36.82 36.99 1upu h ILE 195 CO 0.41 0.00 -0.85 -0.22 0.00 0.00 0.00 178.15 177.50 1upu s LEU 196 N -7.75 2.05 0.09 1.44 2.96 0.40 -1.64 118.68 116.22 1upu s LEU 196 Ca -0.06 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1upu s LEU 196 Cb 0.01 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 1upu s LEU 196 CO 0.09 0.24 -0.06 0.00 -1.32 0.00 0.00 176.35 175.30 1upu s ALA 197 N -0.48 0.90 0.13 5.97 0.00 -0.63 -1.24 121.76 126.40 1upu s ALA 197 Ca 0.08 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1upu s ALA 197 Cb -0.08 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1upu s ALA 197 CO -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 175.76 175.43 1upu s ALA 198 N -3.60 3.02 0.17 0.00 0.00 -0.81 -0.32 121.76 120.22 1upu s ALA 198 Ca 0.10 -1.30 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 1upu s ALA 198 Cb 0.05 -0.91 0.11 0.00 0.00 0.00 0.00 23.12 22.38 1upu s ALA 198 CO -0.05 0.59 1.70 -1.35 0.00 0.00 0.00 175.76 176.65 1upu h PRO 199 N 3.31 0.12 -0.42 0.00 0.11 -1.82 -1.20 132.00 132.10 1upu h PRO 199 Ca -0.48 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1upu h PRO 199 Cb 1.18 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1upu h PRO 199 CO 0.54 0.08 0.03 1.96 -0.21 0.00 0.00 178.00 180.40 1upu h GLN 200 N 0.12 0.14 -0.07 1.05 7.50 -1.93 0.39 115.11 122.31 1upu h GLN 200 Ca 0.20 -0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.38 1upu h GLN 200 Cb 0.28 -0.03 -0.06 0.00 0.05 0.00 0.00 27.48 27.72 1upu h GLN 200 CO -0.32 0.09 -0.34 0.78 -1.50 0.00 0.00 178.83 177.54 1upu h GLY 201 N 0.14 -0.53 0.55 3.46 0.00 -1.09 0.49 103.07 106.09 1upu h GLY 201 Ca 0.21 0.41 0.05 0.00 0.00 0.00 0.00 47.33 48.00 1upu h GLY 201 CO -0.32 -0.23 -0.03 -2.22 0.00 0.00 0.00 176.54 173.74 1upu h ILE 202 N -0.45 0.78 -0.11 2.60 2.04 -0.62 -2.19 117.51 119.56 1upu h ILE 202 Ca 0.08 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1upu h ILE 202 Cb 0.57 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1upu h ILE 202 CO -0.32 0.01 -0.23 -0.33 0.00 0.00 0.00 178.15 177.27 1upu h GLU 203 N 0.03 -0.29 -0.10 2.37 5.08 -0.10 -1.57 114.58 120.00 1upu h GLU 203 Ca 0.12 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1upu h GLU 203 Cb 0.17 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1upu h GLU 203 CO -0.23 -0.19 -0.09 -0.09 -1.00 0.00 0.00 179.01 177.40 1upu h ARG 204 N -0.30 -0.11 -0.98 2.33 1.12 -0.67 -0.04 114.38 115.74 1upu h ARG 204 Ca 0.09 0.01 0.15 0.00 -1.11 0.00 0.00 59.98 59.12 1upu h ARG 204 Cb 0.44 0.02 -0.09 0.00 -0.01 0.00 0.00 29.97 30.34 1upu h ARG 204 CO -0.28 -0.07 0.61 -0.24 -3.11 0.00 0.00 179.97 176.88 1upu h VAL 205 N -0.11 0.83 0.00 0.20 3.04 -1.09 0.23 116.25 119.35 1upu h VAL 205 Ca 0.07 -0.29 -0.08 0.00 -1.01 0.00 0.00 66.70 65.39 1upu h VAL 205 Cb 0.21 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.39 1upu h VAL 205 CO -0.17 0.15 -0.38 -0.26 -1.01 0.00 0.00 177.57 175.91 1upu h PHE 206 N 0.84 0.00 -0.18 3.17 0.04 -0.66 0.79 116.94 120.94 1upu h PHE 206 Ca 0.51 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.15 1upu h PHE 206 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1upu h PHE 206 CO -0.00 0.38 -0.41 1.57 -0.60 0.00 0.00 178.31 179.24 1upu h LYS 207 N 0.00 0.60 0.14 1.51 2.10 0.86 -2.26 116.57 119.52 1upu h LYS 207 Ca -0.00 -0.40 -0.28 0.00 -2.00 0.00 0.00 60.65 57.96 1upu h LYS 207 Cb 1.13 0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1upu h LYS 207 CO 0.05 1.02 -1.27 0.93 -2.00 0.00 0.00 179.45 178.18 1upu h GLU 208 N 0.26 0.32 -1.94 0.07 5.08 -1.04 -3.40 114.58 113.94 1upu h GLU 208 Ca -0.00 -0.54 -0.51 0.00 -1.00 0.00 0.00 59.36 57.31 1upu h GLU 208 Cb 1.02 0.20 -0.39 0.00 0.50 0.00 0.00 28.75 30.08 1upu h GLU 208 CO 0.09 1.26 -1.14 0.66 -1.00 0.00 0.00 179.01 178.88 1upu n TYR 209 N -3.57 -0.17 0.12 4.33 4.01 0.26 -4.96 117.16 117.17 1upu n TYR 209 Ca -0.10 -3.64 0.16 0.00 -0.16 0.00 0.00 57.90 54.16 1upu n TYR 209 Cb 1.03 -0.32 0.48 0.00 -0.31 0.00 0.00 39.34 40.22 1upu n TYR 209 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1upu h PRO 210 N 3.47 0.00 0.00 -0.72 0.13 -1.54 -1.97 132.00 131.36 1upu h PRO 210 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1upu h PRO 210 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1upu h PRO 210 CO 0.47 0.00 -0.37 1.63 -0.23 0.00 0.00 178.00 179.50 1upu n LYS 211 N -3.07 0.05 -1.30 0.86 5.02 -1.26 -4.94 118.16 113.52 1upu n LYS 211 Ca 0.08 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 1upu n LYS 211 Cb 0.93 -1.54 0.18 0.00 -0.02 0.00 0.00 35.03 34.58 1upu n LYS 211 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1upu s VAL 212 N -3.03 1.93 -0.03 -0.18 -7.23 -0.74 -4.28 120.40 106.84 1upu s VAL 212 Ca 0.11 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.34 1upu s VAL 212 Cb 0.17 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1upu s VAL 212 CO 0.65 0.00 -0.21 -0.60 -0.31 0.00 0.00 175.10 174.63 1upu s ARG 213 N -5.18 2.27 -0.08 4.82 6.06 -0.15 -4.88 118.95 121.82 1upu s ARG 213 Ca 0.66 -0.84 0.01 0.00 -2.50 0.00 0.00 55.73 53.06 1upu s ARG 213 Cb -0.15 -2.18 0.02 0.00 0.06 0.00 0.00 34.95 32.70 1upu s ARG 213 CO 0.56 0.59 -0.08 1.41 -2.50 0.00 0.00 175.30 175.27 1upu s MET 214 N -0.66 1.40 -0.12 5.12 -2.45 -0.67 0.15 119.30 122.07 1upu s MET 214 Ca 0.11 -0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.28 1upu s MET 214 Cb -0.10 -1.35 -0.02 0.00 1.25 0.00 0.00 34.83 34.61 1upu s MET 214 CO -0.00 -0.13 -0.10 0.08 1.05 0.00 0.00 175.02 175.91 1upu s VAL 215 N 1.22 3.35 0.07 10.11 1.01 0.60 0.48 120.40 137.24 1upu s VAL 215 Ca -0.05 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1upu s VAL 215 Cb -0.14 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1upu s VAL 215 CO -0.02 0.53 0.22 0.28 0.00 0.00 0.00 175.10 176.10 1upu s THR 216 N 0.13 0.12 -0.11 3.92 -1.32 0.28 -0.50 115.64 118.17 1upu s THR 216 Ca -0.05 -1.01 0.16 0.00 -1.21 0.00 0.00 61.69 59.58 1upu s THR 216 Cb -0.14 -1.18 -0.17 0.00 -1.51 0.00 0.00 72.50 69.50 1upu s THR 216 CO 0.04 -0.56 0.75 0.00 -2.21 0.00 0.00 174.62 172.64 1upu n ALA 217 N 0.18 1.83 -3.51 11.08 0.00 -0.65 -1.19 120.51 128.24 1upu n ALA 217 Ca -0.16 -0.63 -0.16 0.00 0.00 0.00 0.00 53.44 52.49 1upu n ALA 217 Cb 0.61 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 1upu n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1upu s ALA 218 N -2.84 -1.76 -0.14 0.00 0.00 -0.84 -4.60 121.76 111.58 1upu s ALA 218 Ca -0.04 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.13 1upu s ALA 218 Cb 0.08 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1upu s ALA 218 CO 0.82 -0.44 -0.15 0.54 0.00 0.00 0.00 175.76 176.53 1upu s VAL 219 N -1.68 1.56 0.88 0.00 0.11 -1.26 -1.61 120.40 118.40 1upu s VAL 219 Ca -0.07 -0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 58.23 1upu s VAL 219 Cb -0.00 -1.45 0.18 0.00 -1.53 0.00 0.00 36.38 33.58 1upu s VAL 219 CO 0.04 0.46 1.21 -1.81 -3.33 0.00 0.00 175.10 171.67 1upu s ASP 220 N 1.33 3.50 -0.00 3.54 1.11 0.56 -4.96 116.67 121.75 1upu s ASP 220 Ca 0.01 0.02 -0.23 0.00 0.18 0.00 0.00 52.55 52.53 1upu s ASP 220 Cb -0.13 -0.16 -0.13 0.00 1.07 0.00 0.00 42.92 43.56 1upu s ASP 220 CO -0.08 -2.46 0.99 0.40 1.18 0.00 0.00 175.17 175.21 1upu h ILE 221 N -1.27 0.19 -1.71 0.77 1.08 -1.59 -3.39 117.51 111.59 1upu h ILE 221 Ca -0.41 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 1upu h ILE 221 Cb 1.24 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1upu h ILE 221 CO 0.38 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.87 1upu s LEU 223 N 0.00 3.94 0.83 0.00 1.43 -1.25 0.33 118.68 123.96 1upu s LEU 223 Ca 0.00 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1upu s LEU 223 Cb 0.00 -2.52 0.09 0.00 0.03 0.00 0.00 46.19 43.79 1upu s LEU 223 CO 0.00 0.03 1.11 0.21 0.23 0.00 0.00 176.35 177.93 1upu s ASN 224 N -3.34 4.18 0.61 2.29 2.47 1.34 -4.77 114.94 117.71 1upu s ASN 224 Ca 0.32 1.20 0.31 0.00 0.42 0.00 0.00 52.86 55.11 1upu s ASN 224 Cb -0.10 -1.88 1.82 0.00 -1.45 0.00 0.00 41.25 39.64 1upu s ASN 224 CO 0.25 -2.15 2.18 0.28 -3.72 0.00 0.00 177.10 173.94 1upu h SER 225 N -1.22 0.00 -0.55 -4.21 0.02 -1.99 0.63 113.55 106.23 1upu h SER 225 Ca -0.48 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.27 1upu h SER 225 Cb 1.29 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.71 1upu h SER 225 CO 0.60 0.00 0.16 -1.14 -1.14 0.00 0.00 176.83 175.31 1upu n ARG 226 N -3.66 2.75 -3.02 3.45 0.00 -1.26 -4.96 116.66 109.95 1upu n ARG 226 Ca -0.01 -3.05 -0.18 0.00 -0.00 0.00 0.00 57.85 54.61 1upu n ARG 226 Cb 0.21 -2.01 0.04 0.00 0.00 0.00 0.00 32.46 30.71 1upu n ARG 226 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1upu n TYR 227 N -0.68 -1.77 -4.27 -0.14 4.01 0.22 -5.01 117.16 109.51 1upu n TYR 227 Ca 0.37 0.54 -0.30 0.00 -0.16 0.00 0.00 57.90 58.35 1upu n TYR 227 Cb 1.21 -3.85 -0.10 0.00 -0.31 0.00 0.00 39.34 36.29 1upu n TYR 227 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1upu s TYR 228 N -3.11 2.77 0.31 -0.72 1.51 -1.26 -4.68 117.35 112.16 1upu s TYR 228 Ca 0.31 -0.14 -0.28 0.00 -1.01 0.00 0.00 57.07 55.95 1upu s TYR 228 Cb -0.14 -1.46 -0.09 0.00 -0.11 0.00 0.00 41.96 40.16 1upu s TYR 228 CO 0.39 0.42 1.07 0.42 -1.11 0.00 0.00 175.55 176.74 1upu s ILE 229 N -1.18 3.59 0.01 2.71 1.01 -1.26 0.40 121.20 126.48 1upu s ILE 229 Ca 0.21 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.38 1upu s ILE 229 Cb -0.11 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1upu s ILE 229 CO 0.13 0.28 -0.07 0.68 0.00 0.00 0.00 174.94 175.95 1upu s VAL 230 N -1.30 0.58 0.51 2.92 -7.23 0.15 -2.83 120.40 113.20 1upu s VAL 230 Ca 0.48 -0.46 0.29 0.00 -1.81 0.00 0.00 61.98 60.47 1upu s VAL 230 Cb -0.29 -0.51 0.33 0.00 0.56 0.00 0.00 36.38 36.46 1upu s VAL 230 CO 0.37 0.06 2.17 1.55 -0.31 0.00 0.00 175.10 178.93 1upu h PRO 231 N 5.67 0.00 0.00 4.82 0.13 -1.95 -1.49 132.00 139.18 1upu h PRO 231 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1upu h PRO 231 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1upu h PRO 231 CO 0.48 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 1upu n GLY 232 N -1.00 0.45 0.00 1.56 0.00 -1.13 -4.76 105.19 100.31 1upu n GLY 232 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1upu n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1upu n ILE 233 N 0.00 0.00 0.00 -0.61 0.00 -1.26 -4.80 119.36 112.69 1upu n ILE 233 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1upu n ILE 233 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 39.64 39.94 1upu n ILE 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1upu n GLY 234 N 0.00 0.08 3.45 4.50 0.00 -1.26 -4.75 105.19 107.21 1upu n GLY 234 Ca 0.00 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1upu n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1upu s ASP 235 N -4.00 6.36 0.19 1.61 -1.08 -1.26 -4.90 116.67 113.58 1upu s ASP 235 Ca 0.00 -1.45 -0.16 0.00 -0.52 0.00 0.00 52.55 50.42 1upu s ASP 235 Cb 0.00 -2.40 0.16 0.00 -1.46 0.00 0.00 42.92 39.21 1upu s ASP 235 CO 0.00 -1.27 1.64 0.15 0.52 0.00 0.00 175.17 176.21 1upu h PHE 236 N 9.26 -0.32 -1.00 -5.34 3.04 -1.99 -1.58 116.94 119.01 1upu h PHE 236 Ca -0.10 0.05 0.10 0.00 3.98 0.00 0.00 57.97 62.00 1upu h PHE 236 Cb 1.05 0.22 -0.08 0.00 2.56 0.00 0.00 35.95 39.70 1upu h PHE 236 CO 1.04 -0.23 0.64 0.78 -2.02 0.00 0.00 178.31 178.51 1upu h GLY 237 N -0.02 1.58 0.74 2.40 0.00 -1.90 0.43 103.07 106.30 1upu h GLY 237 Ca 0.24 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1upu h GLY 237 CO -0.53 0.22 -0.14 -0.55 0.00 0.00 0.00 176.54 175.54 1upu h ASP 238 N 1.04 0.37 -0.79 0.19 3.32 -1.70 -1.25 116.42 117.60 1upu h ASP 238 Ca 0.47 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1upu h ASP 238 Cb 0.39 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1upu h ASP 238 CO -0.23 0.77 0.37 0.03 -1.72 0.00 0.00 179.24 178.46 1upu h ARG 239 N -0.03 1.15 0.02 3.56 3.08 -0.72 0.42 114.38 121.86 1upu h ARG 239 Ca 0.02 -0.18 -0.24 0.00 0.07 0.00 0.00 59.98 59.66 1upu h ARG 239 Cb 0.67 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1upu h ARG 239 CO 0.03 0.90 -0.99 -0.92 -1.07 0.00 0.00 179.97 177.92 1upu h TYR 240 N 1.12 0.65 0.00 3.04 5.03 -0.16 -3.29 116.97 123.35 1upu h TYR 240 Ca 0.27 -0.37 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1upu h TYR 240 Cb 0.14 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1upu h TYR 240 CO 0.01 1.20 -0.88 1.19 -1.32 0.00 0.00 178.16 178.36 1upu n PHE 241 N -3.73 0.05 -2.38 -3.82 3.72 -0.47 -4.92 117.46 105.89 1upu n PHE 241 Ca -0.07 0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.30 1upu n PHE 241 Cb 0.86 -0.17 0.01 0.00 -0.94 0.00 0.00 39.48 39.24 1upu n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1upu n GLY 242 N 1.47 0.45 2.80 1.37 0.00 0.14 -4.97 105.19 106.44 1upu n GLY 242 Ca 0.04 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1upu n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1upu n THR 243 N -3.49 3.89 -0.43 2.61 -2.24 -0.46 -5.02 114.28 109.14 1upu n THR 243 Ca -0.02 -5.56 0.00 0.00 -2.27 0.00 0.00 64.05 56.20 1upu n THR 243 Cb 0.52 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1upu n THR 243 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65