#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 0.97 -0.60 3.69 4.81 -1.99 -1.42 114.58 120.04 1upu h GLU 22 Ca 0.00 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1upu h GLU 22 Cb 0.00 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1upu h GLU 22 CO 0.00 0.71 0.40 1.49 -0.73 0.00 0.00 179.01 180.87 1upu h GLU 23 N 0.98 0.79 0.73 1.92 4.57 -2.00 0.52 114.58 122.09 1upu h GLU 23 Ca 0.25 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 1upu h GLU 23 Cb 0.02 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1upu h GLU 23 CO -0.04 0.52 -0.35 0.66 -1.18 0.00 0.00 179.01 178.62 1upu h SER 24 N 0.81 -0.83 -0.52 1.04 4.64 -1.72 -1.36 113.55 115.61 1upu h SER 24 Ca 0.22 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.64 1upu h SER 24 Cb -0.09 0.22 -0.11 0.00 -0.31 0.00 0.00 62.40 62.11 1upu h SER 24 CO -0.05 -0.49 -0.31 0.40 -0.87 0.00 0.00 176.83 175.51 1upu h ILE 25 N -1.18 0.21 -0.51 0.95 2.04 -1.13 -0.76 117.51 117.13 1upu h ILE 25 Ca -0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.84 1upu h ILE 25 Cb 0.78 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1upu h ILE 25 CO 0.17 0.00 0.12 -0.07 0.00 0.00 0.00 178.15 178.36 1upu h LEU 26 N -0.18 0.03 -0.44 1.44 3.38 -0.84 -1.98 115.31 116.72 1upu h LEU 26 Ca 0.22 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1upu h LEU 26 Cb 0.54 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1upu h LEU 26 CO -0.62 0.04 0.16 1.56 0.09 0.00 0.00 178.44 179.67 1upu h GLN 27 N 0.26 0.32 0.17 1.13 1.08 0.01 0.76 115.11 118.84 1upu h GLN 27 Ca 0.25 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1upu h GLN 27 Cb 0.33 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1upu h GLN 27 CO -0.32 0.21 -0.26 0.22 -0.95 0.00 0.00 178.83 177.73 1upu h ASP 28 N 0.33 -0.73 -0.37 1.46 3.58 -0.63 0.47 116.42 120.54 1upu h ASP 28 Ca 0.20 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.75 1upu h ASP 28 Cb 0.19 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1upu h ASP 28 CO -0.20 -0.36 0.20 0.40 -2.88 0.00 0.00 179.24 176.40 1upu h ILE 29 N -0.50 1.02 -0.85 2.25 1.08 -1.24 0.75 117.51 120.02 1upu h ILE 29 Ca 0.02 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1upu h ILE 29 Cb 0.50 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 1upu h ILE 29 CO -0.12 0.08 0.52 0.40 -0.69 0.00 0.00 178.15 178.34 1upu h ILE 30 N 0.41 1.24 -0.06 -0.67 1.08 -0.55 0.25 117.51 119.20 1upu h ILE 30 Ca 0.15 -0.51 -0.12 0.00 -0.39 0.00 0.00 64.86 63.99 1upu h ILE 30 Cb 0.03 0.04 0.01 0.00 -3.07 0.00 0.00 36.82 33.82 1upu h ILE 30 CO -0.08 0.25 -0.43 0.74 -0.69 0.00 0.00 178.15 177.93 1upu h THR 31 N 1.17 1.41 0.00 -0.27 2.02 0.70 -3.35 112.91 114.59 1upu h THR 31 Ca 0.31 -1.84 -0.12 0.00 0.77 0.00 0.00 66.41 65.53 1upu h THR 31 Cb -0.05 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1upu h THR 31 CO -0.06 0.54 -0.55 0.03 0.37 0.00 0.00 175.52 175.84 1upu h ARG 32 N -0.08 0.00 -3.19 6.66 3.08 0.66 -3.40 114.38 118.11 1upu h ARG 32 Ca -0.04 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.39 1upu h ARG 32 Cb 1.09 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.73 1upu h ARG 32 CO 0.09 0.55 -0.62 -0.06 -1.07 0.00 0.00 179.97 178.86 1upu s PHE 33 N -2.98 3.26 -1.72 3.04 0.08 0.86 -4.93 117.98 115.59 1upu s PHE 33 Ca 0.03 -3.20 0.06 0.00 0.12 0.00 0.00 56.93 53.94 1upu s PHE 33 Cb 0.08 -2.67 0.32 0.00 -0.57 0.00 0.00 43.02 40.18 1upu s PHE 33 CO 0.75 -0.65 0.92 -0.35 -0.10 0.00 0.00 175.22 175.79 1upu n PRO 34 N 2.56 0.13 -0.06 0.24 -0.04 -1.26 -2.16 135.00 134.41 1upu n PRO 34 Ca 0.13 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 1upu n PRO 34 Cb 0.34 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1upu n PRO 34 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1upu n ASN 35 N -1.14 2.74 -4.89 3.54 5.03 -1.26 -4.94 115.26 114.34 1upu n ASN 35 Ca 0.04 -1.81 -0.34 0.00 0.87 0.00 0.00 54.58 53.33 1upu n ASN 35 Cb 0.03 -0.08 -0.05 0.00 -1.02 0.00 0.00 39.78 38.66 1upu n ASN 35 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1upu s VAL 36 N -1.40 5.32 -0.22 2.41 -7.23 -0.92 -1.57 120.40 116.80 1upu s VAL 36 Ca 0.25 0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.51 1upu s VAL 36 Cb 0.16 -3.57 0.05 0.00 0.56 0.00 0.00 36.38 33.59 1upu s VAL 36 CO 0.23 0.33 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.59 1upu s VAL 37 N -1.33 1.54 0.13 1.32 1.01 0.11 -4.95 120.40 118.23 1upu s VAL 37 Ca 0.29 -1.11 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 1upu s VAL 37 Cb -0.13 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 1upu s VAL 37 CO 0.17 0.01 0.63 -0.22 0.00 0.00 0.00 175.10 175.70 1upu s LEU 38 N 1.41 4.48 0.47 3.92 0.20 -1.26 -1.25 118.68 126.64 1upu s LEU 38 Ca -0.04 1.34 -0.13 0.00 0.69 0.00 0.00 54.13 55.99 1upu s LEU 38 Cb -0.18 -3.15 -0.07 0.00 -0.43 0.00 0.00 46.19 42.37 1upu s LEU 38 CO -0.07 0.20 0.87 0.00 -0.29 0.00 0.00 176.35 177.06 1upu s MET 39 N -1.39 3.82 -0.10 1.98 0.00 -0.44 -4.93 119.30 118.26 1upu s MET 39 Ca 0.34 0.67 -0.36 0.00 0.00 0.00 0.00 55.69 56.34 1upu s MET 39 Cb -0.19 -2.27 -0.13 0.00 0.00 0.00 0.00 34.83 32.24 1upu s MET 39 CO 0.21 -0.17 1.78 0.36 0.00 0.00 0.00 175.02 177.20 1upu n LYS 40 N -1.55 1.87 -2.56 3.16 0.00 -1.26 -4.84 118.16 112.98 1upu n LYS 40 Ca 0.04 0.68 -0.42 0.00 -0.00 0.00 0.00 58.31 58.62 1upu n LYS 40 Cb 0.54 -2.47 -0.01 0.00 -0.00 0.00 0.00 35.03 33.09 1upu n LYS 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1upu s GLN 41 N 3.37 3.79 0.53 -1.58 -1.52 -1.26 -4.88 119.66 118.11 1upu s GLN 41 Ca 0.92 -1.63 -0.02 0.00 -1.95 0.00 0.00 55.36 52.68 1upu s GLN 41 Cb -0.80 -5.46 0.01 0.00 -0.22 0.00 0.00 33.01 26.54 1upu s GLN 41 CO 0.53 -2.29 0.79 0.95 -0.25 0.00 0.00 175.29 175.03 1upu s THR 42 N 4.72 3.64 0.21 -0.19 -4.23 -1.26 -4.92 115.64 113.61 1upu s THR 42 Ca 0.51 -0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 60.65 1upu s THR 42 Cb 0.02 -3.40 0.11 0.00 1.34 0.00 0.00 72.50 70.58 1upu s THR 42 CO 0.01 -0.34 1.72 0.00 -0.54 0.00 0.00 174.62 175.47 1upu h ALA 43 N 0.09 0.96 -0.17 3.99 0.00 -1.98 0.09 119.26 122.23 1upu h ALA 43 Ca -0.45 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.20 1upu h ALA 43 Cb 1.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1upu h ALA 43 CO 0.58 0.65 0.10 0.37 0.00 0.00 0.00 179.25 180.95 1upu h GLN 44 N 1.01 0.20 -0.30 0.00 5.75 -1.98 0.40 115.11 120.19 1upu h GLN 44 Ca 0.20 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.75 1upu h GLN 44 Cb 0.42 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.87 1upu h GLN 44 CO 0.01 0.13 -0.04 1.25 -2.65 0.00 0.00 178.83 177.54 1upu h LEU 45 N 0.21 -0.20 -0.02 -2.39 5.85 -1.73 -0.33 115.31 116.69 1upu h LEU 45 Ca 0.07 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1upu h LEU 45 Cb -0.01 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1upu h LEU 45 CO -0.03 -0.07 -0.05 0.03 -0.34 0.00 0.00 178.44 177.98 1upu h ARG 46 N 0.04 -0.09 -0.97 1.25 2.47 -0.54 0.20 114.38 116.74 1upu h ARG 46 Ca 0.15 0.01 0.17 0.00 -1.26 0.00 0.00 59.98 59.05 1upu h ARG 46 Cb 0.21 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.45 1upu h ARG 46 CO -0.28 -0.06 0.57 0.00 0.56 0.00 0.00 179.97 180.76 1upu h ALA 47 N 0.92 1.56 -0.04 0.04 0.00 0.64 0.71 119.26 123.09 1upu h ALA 47 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1upu h ALA 47 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1upu h ALA 47 CO -0.07 -0.04 0.01 0.52 0.00 0.00 0.00 179.25 179.67 1upu h MET 48 N 0.75 0.07 -0.59 0.00 2.86 -0.53 -1.89 114.93 115.60 1upu h MET 48 Ca 0.55 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.18 1upu h MET 48 Cb 0.81 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 1upu h MET 48 CO -0.37 0.32 0.39 0.52 1.06 0.00 0.00 176.91 178.83 1upu h MET 49 N -0.19 0.76 -0.43 1.72 2.07 0.15 -1.84 114.93 117.18 1upu h MET 49 Ca 0.01 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 57.51 1upu h MET 49 Cb 0.28 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 1upu h MET 49 CO 0.00 0.50 -0.07 0.00 1.07 0.00 0.00 176.91 178.41 1upu h THR 50 N 0.78 1.25 -0.25 2.22 1.03 0.79 -1.72 112.91 117.01 1upu h THR 50 Ca 0.22 -1.09 -0.10 0.00 -0.01 0.00 0.00 66.41 65.43 1upu h THR 50 Cb -0.06 1.00 -0.00 0.00 -1.07 0.00 0.00 68.15 68.02 1upu h THR 50 CO -0.05 0.37 -0.23 0.40 -0.01 0.00 0.00 175.52 176.00 1upu h ILE 51 N 0.68 1.31 0.00 0.00 5.03 -0.71 -2.24 117.51 121.58 1upu h ILE 51 Ca 0.12 -1.39 -0.02 0.00 -0.12 0.00 0.00 64.86 63.45 1upu h ILE 51 Cb 0.52 1.64 -0.00 0.00 -3.03 0.00 0.00 36.82 35.95 1upu h ILE 51 CO 0.03 0.44 -0.08 0.16 -0.68 0.00 0.00 178.15 178.01 1upu h ILE 52 N 0.32 0.18 0.00 -0.67 3.07 -1.29 -2.96 117.51 116.16 1upu h ILE 52 Ca 0.04 -0.88 -0.18 0.00 1.55 0.00 0.00 64.86 65.39 1upu h ILE 52 Cb 0.79 1.75 -0.03 0.00 -0.27 0.00 0.00 36.82 39.06 1upu h ILE 52 CO 0.06 0.08 -1.18 0.03 -1.05 0.00 0.00 178.15 176.09 1upu h ARG 53 N 0.00 0.00 -6.44 0.16 3.08 -1.30 -3.46 114.38 106.42 1upu h ARG 53 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1upu h ARG 53 Cb 0.75 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.83 1upu h ARG 53 CO 0.01 0.47 1.00 -3.47 -1.07 0.00 0.00 179.97 176.92 1upu n ASP 54 N -3.06 3.56 0.20 7.04 -0.08 -0.85 -4.84 116.55 118.52 1upu n ASP 54 Ca -0.07 1.01 0.15 0.00 -1.51 0.00 0.00 54.79 54.38 1upu n ASP 54 Cb 0.86 -1.46 0.60 0.00 2.34 0.00 0.00 41.12 43.47 1upu n ASP 54 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1upu h LYS 55 N 7.88 0.00 0.00 -0.67 2.10 -1.89 -2.68 116.57 121.30 1upu h LYS 55 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1upu h LYS 55 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1upu h LYS 55 CO 0.93 0.00 -0.45 0.93 -2.00 0.00 0.00 179.45 178.86 1upu h GLU 56 N 0.00 0.00 -6.46 0.07 3.07 -1.93 -3.47 114.58 105.86 1upu h GLU 56 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 1upu h GLU 56 Cb 0.42 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1upu h GLU 56 CO 0.00 0.00 0.98 2.41 -1.40 0.00 0.00 179.01 181.00 1upu n THR 57 N -2.31 0.25 -2.38 1.13 -1.04 -1.01 -4.97 114.28 103.94 1upu n THR 57 Ca 0.04 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 1upu n THR 57 Cb 0.46 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.14 1upu n THR 57 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1upu s PRO 58 N 2.23 3.57 0.39 -2.82 0.04 -1.26 -4.77 135.00 132.38 1upu s PRO 58 Ca 0.83 1.45 0.14 0.00 0.04 0.00 0.00 61.00 63.46 1upu s PRO 58 Cb -0.61 -2.05 0.98 0.00 0.04 0.00 0.00 34.50 32.86 1upu s PRO 58 CO 0.41 -0.64 1.86 1.57 0.04 0.00 0.00 177.00 180.24 1upu h LYS 59 N 1.31 0.49 -0.05 4.56 2.10 -1.93 0.12 116.57 123.17 1upu h LYS 59 Ca -0.49 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.11 1upu h LYS 59 Cb 1.24 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1upu h LYS 59 CO 0.58 0.33 -0.01 1.05 -2.00 0.00 0.00 179.45 179.39 1upu h GLU 60 N 0.51 0.10 -0.42 0.07 9.09 -1.95 -0.91 114.58 121.07 1upu h GLU 60 Ca 0.46 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.86 1upu h GLU 60 Cb 0.99 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.06 1upu h GLU 60 CO -0.19 0.45 0.22 0.93 0.05 0.00 0.00 179.01 180.47 1upu h GLU 61 N -0.26 0.44 -0.31 1.06 4.39 -1.69 -1.07 114.58 117.14 1upu h GLU 61 Ca 0.01 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1upu h GLU 61 Cb 0.41 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.89 1upu h GLU 61 CO 0.01 0.29 -0.22 0.35 -1.16 0.00 0.00 179.01 178.28 1upu h PHE 62 N 0.45 -0.57 -0.12 4.33 3.04 -0.63 -1.37 116.94 122.07 1upu h PHE 62 Ca 0.18 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 1upu h PHE 62 Cb 0.06 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1upu h PHE 62 CO -0.09 -0.30 0.07 0.28 -2.02 0.00 0.00 178.31 176.26 1upu h VAL 63 N -0.19 1.05 -0.13 1.41 2.07 -0.76 -1.40 116.25 118.31 1upu h VAL 63 Ca 0.16 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1upu h VAL 63 Cb 0.44 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1upu h VAL 63 CO -0.42 0.05 -0.17 0.15 0.02 0.00 0.00 177.57 177.20 1upu h PHE 64 N 0.13 -0.44 -0.51 1.57 3.57 -0.71 -1.76 116.94 118.79 1upu h PHE 64 Ca 0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1upu h PHE 64 Cb 0.02 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1upu h PHE 64 CO -0.06 -0.24 0.05 1.88 -2.23 0.00 0.00 178.31 177.70 1upu h TYR 65 N -0.22 0.93 -0.41 0.41 0.05 -1.22 -1.14 116.97 115.38 1upu h TYR 65 Ca 0.10 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.76 1upu h TYR 65 Cb 0.35 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 1upu h TYR 65 CO -0.28 0.86 0.22 0.00 -1.05 0.00 0.00 178.16 177.91 1upu h ALA 66 N 0.96 0.52 -0.20 3.88 0.00 -1.09 0.42 119.26 123.75 1upu h ALA 66 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1upu h ALA 66 Cb 0.45 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1upu h ALA 66 CO 0.02 -0.12 -0.05 -0.44 0.00 0.00 0.00 179.25 178.66 1upu h ASP 67 N 0.45 -0.18 -0.41 0.00 3.32 -1.20 0.60 116.42 119.00 1upu h ASP 67 Ca 0.17 0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1upu h ASP 67 Cb 0.05 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1upu h ASP 67 CO -0.10 -0.06 0.03 -0.09 -1.72 0.00 0.00 179.24 177.29 1upu h ARG 68 N 0.00 0.14 -0.37 3.56 2.43 -0.03 -0.82 114.38 119.29 1upu h ARG 68 Ca 0.09 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1upu h ARG 68 Cb 0.14 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1upu h ARG 68 CO -0.20 0.09 -0.25 1.25 -1.51 0.00 0.00 179.97 179.35 1upu h LEU 69 N 0.14 0.77 -0.68 3.80 5.85 -0.28 -2.70 115.31 122.21 1upu h LEU 69 Ca 0.20 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1upu h LEU 69 Cb 0.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1upu h LEU 69 CO -0.31 0.99 0.45 0.40 -0.34 0.00 0.00 178.44 179.62 1upu h ILE 70 N 0.65 1.16 -0.44 4.05 2.04 0.92 -1.02 117.51 124.87 1upu h ILE 70 Ca 0.09 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.72 1upu h ILE 70 Cb 0.76 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1upu h ILE 70 CO 0.06 0.17 -0.13 0.03 0.00 0.00 0.00 178.15 178.27 1upu h ARG 71 N 0.91 -0.03 -0.69 2.37 2.47 -0.86 0.27 114.38 118.82 1upu h ARG 71 Ca 0.25 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.92 1upu h ARG 71 Cb -0.09 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 1upu h ARG 71 CO -0.06 -0.02 0.24 -0.07 0.56 0.00 0.00 179.97 180.62 1upu h LEU 72 N -0.03 0.99 -0.38 3.04 3.38 -1.13 -1.74 115.31 119.44 1upu h LEU 72 Ca 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1upu h LEU 72 Cb 0.35 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1upu h LEU 72 CO -0.47 0.93 0.20 0.25 0.09 0.00 0.00 178.44 179.44 1upu h LEU 73 N 1.01 0.47 -0.46 1.67 6.46 -0.28 -0.35 115.31 123.83 1upu h LEU 73 Ca 0.23 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1upu h LEU 73 Cb 0.27 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1upu h LEU 73 CO -0.01 0.44 0.27 0.40 -0.62 0.00 0.00 178.44 178.92 1upu h ILE 74 N 0.48 1.04 -0.61 4.05 1.08 -0.21 0.17 117.51 123.51 1upu h ILE 74 Ca 0.13 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 1upu h ILE 74 Cb 0.07 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 1upu h ILE 74 CO -0.02 0.10 0.36 -0.33 -0.69 0.00 0.00 178.15 177.56 1upu h GLU 75 N 0.54 0.67 -0.39 2.37 4.39 -1.02 -0.66 114.58 120.47 1upu h GLU 75 Ca 0.18 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.86 1upu h GLU 75 Cb 0.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1upu h GLU 75 CO -0.09 0.44 0.24 1.49 -1.16 0.00 0.00 179.01 179.93 1upu h GLU 76 N 0.69 0.47 -0.73 2.33 4.57 -0.13 -2.90 114.58 118.87 1upu h GLU 76 Ca 0.26 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1upu h GLU 76 Cb 0.08 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1upu h GLU 76 CO -0.13 0.31 0.47 0.00 -1.18 0.00 0.00 179.01 178.48 1upu h ALA 77 N 1.17 0.95 -0.13 2.92 0.00 0.15 -2.06 119.26 122.26 1upu h ALA 77 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1upu h ALA 77 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1upu h ALA 77 CO -0.06 0.28 0.22 -0.07 0.00 0.00 0.00 179.25 179.62 1upu h LEU 78 N 0.93 0.00 -0.18 0.00 3.38 -0.93 0.19 115.31 118.69 1upu h LEU 78 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1upu h LEU 78 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1upu h LEU 78 CO -0.09 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.03 1upu n ASN 79 N -3.45 0.11 0.05 -0.43 4.13 -0.77 -2.33 115.26 112.57 1upu n ASN 79 Ca 0.00 0.54 0.13 0.00 1.68 0.00 0.00 54.58 56.94 1upu n ASN 79 Cb 0.32 -0.56 0.51 0.00 -1.54 0.00 0.00 39.78 38.52 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 -1.63 0.12 -1.77 3.52 4.71 0.65 -4.84 120.64 121.40 1upu n GLU 80 Ca 0.02 0.11 -0.30 0.00 -0.01 0.00 0.00 57.16 56.97 1upu n GLU 80 Cb 0.10 -1.65 0.05 0.00 -1.01 0.00 0.00 31.44 28.93 1upu n GLU 80 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1upu s LEU 81 N -3.73 2.93 0.20 -4.62 1.43 -0.98 -5.03 118.68 108.87 1upu s LEU 81 Ca 0.12 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.33 1upu s LEU 81 Cb 0.16 -4.11 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 1upu s LEU 81 CO 0.56 -1.39 0.66 -2.16 0.23 0.00 0.00 176.35 174.25 1upu s PRO 82 N -5.24 4.14 0.13 1.29 0.04 -1.26 -5.08 135.00 129.01 1upu s PRO 82 Ca 0.58 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1upu s PRO 82 Cb -0.12 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1upu s PRO 82 CO 0.53 0.42 -0.08 -0.59 0.04 0.00 0.00 177.00 177.32 1upu s PHE 83 N -1.51 1.11 0.00 0.56 -0.71 -1.26 -4.08 117.98 112.08 1upu s PHE 83 Ca 0.41 -0.83 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1upu s PHE 83 Cb -0.16 -0.59 0.00 0.00 -1.21 0.00 0.00 43.02 41.06 1upu s PHE 83 CO 0.20 -0.02 0.00 1.04 -1.34 0.00 0.00 175.22 175.10 1upu n GLN 84 N -0.13 0.00 -3.65 1.99 1.13 0.11 -4.93 117.38 111.90 1upu n GLN 84 Ca -0.11 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.93 1upu n GLN 84 Cb 0.61 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.89 1upu n GLN 84 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1upu s LYS 85 N 0.56 0.18 -0.13 -1.09 3.01 -1.26 -4.76 119.74 116.25 1upu s LYS 85 Ca 0.00 0.26 -0.09 0.00 -1.01 0.00 0.00 55.97 55.13 1upu s LYS 85 Cb 0.00 0.06 0.04 0.00 -1.01 0.00 0.00 37.83 36.93 1upu s LYS 85 CO 0.00 -0.03 0.32 0.21 0.51 0.00 0.00 175.35 176.36 1upu s LYS 86 N 0.60 0.33 -0.13 1.68 2.20 0.14 -4.73 119.74 119.82 1upu s LYS 86 Ca -0.01 0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 56.11 1upu s LYS 86 Cb -0.04 0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 1upu s LYS 86 CO -0.12 -0.10 0.01 -2.00 -0.36 0.00 0.00 175.35 172.77 1upu s GLU 87 N 0.76 3.48 0.17 4.03 -6.30 -1.26 0.19 118.70 119.77 1upu s GLU 87 Ca -0.05 -0.42 0.05 0.00 -2.50 0.00 0.00 54.97 52.06 1upu s GLU 87 Cb -0.06 -2.96 -0.05 0.00 0.00 0.00 0.00 34.13 31.07 1upu s GLU 87 CO -0.05 0.45 -0.10 0.14 0.02 0.00 0.00 175.26 175.72 1upu s VAL 88 N -0.17 1.30 -0.19 3.70 -7.23 -0.27 -4.92 120.40 112.62 1upu s VAL 88 Ca 0.05 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1upu s VAL 88 Cb -0.12 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 1upu s VAL 88 CO 0.02 -0.67 -0.02 0.28 -0.31 0.00 0.00 175.10 174.40 1upu s THR 89 N -3.24 3.90 0.90 5.32 -1.32 -1.26 0.24 115.64 120.17 1upu s THR 89 Ca 0.19 -0.34 -0.12 0.00 -1.21 0.00 0.00 61.69 60.21 1upu s THR 89 Cb 0.02 -2.74 0.13 0.00 -1.51 0.00 0.00 72.50 68.40 1upu s THR 89 CO 0.03 0.45 1.11 -0.89 -2.21 0.00 0.00 174.62 173.11 1upu s THR 90 N 0.80 2.39 0.43 5.08 2.01 0.18 -4.88 115.64 121.65 1upu s THR 90 Ca -0.00 0.13 0.38 0.00 0.31 0.00 0.00 61.69 62.51 1upu s THR 90 Cb -0.14 -2.77 0.41 0.00 0.01 0.00 0.00 72.50 70.00 1upu s THR 90 CO 0.02 -0.16 2.20 -0.65 -0.69 0.00 0.00 174.62 175.33 1upu h PRO 91 N -1.49 0.00 0.00 4.92 0.11 -1.99 0.42 132.00 133.97 1upu h PRO 91 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1upu h PRO 91 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1upu h PRO 91 CO 0.59 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.68 1upu n LEU 92 N -3.17 0.00 -2.05 2.35 7.99 -1.26 -4.85 117.00 116.00 1upu n LEU 92 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.79 1upu n LEU 92 Cb 0.18 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.46 1upu n LEU 92 CO 0.24 0.00 -0.23 0.47 -1.51 0.00 0.00 177.39 176.36 1upu n ASP 93 N -0.62 -5.52 -4.61 -1.43 8.00 0.15 -4.99 116.55 107.53 1upu n ASP 93 Ca 0.05 0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.41 1upu n ASP 93 Cb 0.02 -4.59 -0.08 0.00 -0.02 0.00 0.00 41.12 36.46 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 -2.91 3.12 0.21 2.53 -7.23 -1.25 -4.87 120.40 109.99 1upu s VAL 94 Ca 0.00 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1upu s VAL 94 Cb 0.00 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1upu s VAL 94 CO 0.00 -0.35 0.44 -0.94 -0.31 0.00 0.00 175.10 173.94 1upu s SER 95 N -3.66 6.45 -0.01 4.85 1.04 -1.26 0.48 113.70 121.60 1upu s SER 95 Ca 0.32 0.57 0.05 0.00 0.48 0.00 0.00 55.95 57.37 1upu s SER 95 Cb -0.05 -2.08 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 1upu s SER 95 CO 0.19 -0.05 -0.17 -0.47 0.98 0.00 0.00 173.24 173.72 1upu s TYR 96 N -1.85 1.52 -0.54 5.02 5.04 0.65 -4.87 117.35 122.32 1upu s TYR 96 Ca 0.41 -0.30 -0.17 0.00 -2.44 0.00 0.00 57.07 54.57 1upu s TYR 96 Cb -0.11 -0.97 0.10 0.00 0.35 0.00 0.00 41.96 41.32 1upu s TYR 96 CO 0.27 -0.01 0.56 -1.01 -1.34 0.00 0.00 175.55 174.02 1upu s HIS 97 N -0.46 3.14 0.00 4.97 3.76 -1.26 -1.12 115.29 124.32 1upu s HIS 97 Ca 0.06 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 1upu s HIS 97 Cb -0.07 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1upu s HIS 97 CO -0.00 -1.06 0.00 0.41 -0.85 0.00 0.00 174.74 173.24 1upu n GLY 98 N 5.24 5.90 3.25 -2.22 0.00 0.51 -4.95 105.19 112.92 1upu n GLY 98 Ca -0.11 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 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 1.46 0.11 -0.02 1.61 -7.23 -1.24 0.23 120.40 115.31 1upu s VAL 99 Ca 0.00 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.74 1upu s VAL 99 Cb 0.00 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1upu s VAL 99 CO 0.00 -0.51 0.23 -0.94 -0.31 0.00 0.00 175.10 173.57 1upu s SER 100 N -2.92 -0.11 -0.21 4.85 1.04 -1.26 -4.69 113.70 110.41 1upu s SER 100 Ca 0.11 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 1upu s SER 100 Cb 0.04 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1upu s SER 100 CO -0.06 -0.36 0.09 -0.36 0.98 0.00 0.00 173.24 173.52 1upu s PHE 101 N -1.15 3.23 -0.58 5.02 0.40 -1.26 0.09 117.98 123.73 1upu s PHE 101 Ca -0.12 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.27 1upu s PHE 101 Cb -0.06 -2.15 0.08 0.00 0.51 0.00 0.00 43.02 41.40 1upu s PHE 101 CO 0.03 0.03 0.84 2.48 0.70 0.00 0.00 175.22 179.29 1upu n TYR 102 N 4.00 0.08 -2.08 0.36 4.11 -1.26 -4.99 117.16 117.38 1upu n TYR 102 Ca -0.16 -0.19 -0.31 0.00 -0.00 0.00 0.00 57.90 57.24 1upu n TYR 102 Cb 0.52 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.34 39.84 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 -0.65 6.38 -0.17 9.48 0.01 -1.26 -5.04 113.70 122.45 1upu s SER 103 Ca 0.08 1.48 -0.17 0.00 1.31 0.00 0.00 55.95 58.65 1upu s SER 103 Cb 0.05 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1upu s SER 103 CO 0.07 -0.76 0.44 -0.54 0.41 0.00 0.00 173.24 172.87 1upu s LYS 104 N -4.74 4.23 0.43 12.44 -0.14 -1.26 -5.01 119.74 125.69 1upu s LYS 104 Ca 0.57 0.32 0.03 0.00 -1.36 0.00 0.00 55.97 55.53 1upu s LYS 104 Cb -0.11 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.52 1upu s LYS 104 CO 0.45 0.01 0.11 0.96 -0.76 0.00 0.00 175.35 176.12 1upu s ILE 105 N 1.12 0.70 -0.02 2.17 -4.36 -1.26 -0.71 121.20 118.85 1upu s ILE 105 Ca 0.22 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 1upu s ILE 105 Cb -0.15 -2.32 0.11 0.00 1.25 0.00 0.00 42.46 41.35 1upu s ILE 105 CO 0.09 0.00 0.97 0.00 0.24 0.00 0.00 174.94 176.24 1upu s GLY 107 N -2.50 1.62 -0.09 0.00 0.00 0.17 -1.31 107.32 105.21 1upu s GLY 107 Ca 0.07 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 1upu s GLY 107 CO -0.07 -1.22 -0.02 0.14 0.00 0.00 0.00 173.10 171.94 1upu s VAL 108 N -1.03 0.56 -0.02 1.40 1.01 0.97 -0.32 120.40 122.98 1upu s VAL 108 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1upu s VAL 108 Cb -0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1upu s VAL 108 CO 0.07 0.27 0.10 -0.94 0.00 0.00 0.00 175.10 174.60 1upu s SER 109 N 1.90 5.82 -0.42 3.32 1.04 -0.49 -0.12 113.70 124.74 1upu s SER 109 Ca 0.05 0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.49 1upu s SER 109 Cb -0.13 -1.71 0.02 0.00 0.10 0.00 0.00 66.02 64.30 1upu s SER 109 CO -0.06 0.29 0.52 -0.63 0.98 0.00 0.00 173.24 174.33 1upu s ILE 110 N -1.19 4.99 0.28 -1.02 -1.09 -0.82 -1.82 121.20 120.52 1upu s ILE 110 Ca 0.23 -0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.26 1upu s ILE 110 Cb -0.12 -4.09 -0.10 0.00 -1.58 0.00 0.00 42.46 36.57 1upu s ILE 110 CO 0.13 -0.45 1.36 -0.69 -1.23 0.00 0.00 174.94 174.06 1upu s VAL 111 N 2.41 2.77 -0.19 2.92 1.01 -0.74 0.91 120.40 129.50 1upu s VAL 111 Ca 0.17 0.70 -0.18 0.00 0.00 0.00 0.00 61.98 62.66 1upu s VAL 111 Cb -0.16 -3.45 -0.21 0.00 0.00 0.00 0.00 36.38 32.57 1upu s VAL 111 CO 0.15 0.14 0.26 0.03 0.00 0.00 0.00 175.10 175.68 1upu h ARG 112 N 4.29 0.06 -0.93 2.72 3.08 -1.94 -3.40 114.38 118.26 1upu h ARG 112 Ca -0.47 -0.11 0.30 0.00 0.07 0.00 0.00 59.98 59.77 1upu h ARG 112 Cb 1.22 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 31.14 1upu h ARG 112 CO 0.72 1.05 0.17 0.00 -1.07 0.00 0.00 179.97 180.84 1upu n ALA 113 N -3.31 0.62 0.14 0.04 0.00 -1.22 0.13 120.51 116.91 1upu n ALA 113 Ca -0.32 0.98 0.06 0.00 0.00 0.00 0.00 53.44 54.16 1upu n ALA 113 Cb 0.77 -0.80 0.53 0.00 0.00 0.00 0.00 19.45 19.95 1upu n ALA 113 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1upu h GLY 114 N 0.00 0.27 0.46 0.00 0.00 0.39 -2.73 103.07 101.46 1upu h GLY 114 Ca 0.63 -0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.99 1upu h GLY 114 CO -0.83 0.10 0.61 0.83 0.00 0.00 0.00 176.54 177.26 1upu h GLU 115 N 0.26 0.84 -1.14 4.80 5.08 0.10 -0.76 114.58 123.77 1upu h GLU 115 Ca 0.07 -0.05 0.32 0.00 -1.00 0.00 0.00 59.36 58.70 1upu h GLU 115 Cb 0.00 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.01 1upu h GLU 115 CO -0.01 0.56 0.80 0.66 -1.00 0.00 0.00 179.01 180.02 1upu h SER 116 N 0.87 0.09 1.14 1.42 4.64 -1.57 0.25 113.55 120.40 1upu h SER 116 Ca 0.49 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1upu h SER 116 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1upu h SER 116 CO -0.25 0.01 -0.21 0.23 -0.87 0.00 0.00 176.83 175.74 1upu n MET 117 N -4.28 0.20 -0.34 4.77 2.81 -0.29 -4.08 117.12 115.91 1upu n MET 117 Ca 0.25 0.12 0.02 0.00 -1.81 0.00 0.00 57.70 56.28 1upu n MET 117 Cb 1.16 -1.69 0.19 0.00 -0.71 0.00 0.00 33.22 32.16 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 0.00 1.13 -0.67 0.03 5.08 -1.04 -1.97 114.58 117.15 1upu h GLU 118 Ca 0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1upu h GLU 118 Cb 0.67 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1upu h GLU 118 CO 0.00 0.75 0.23 0.77 -1.00 0.00 0.00 179.01 179.76 1upu h SER 119 N 1.17 0.93 -0.46 1.42 0.02 -1.74 -0.89 113.55 114.01 1upu h SER 119 Ca 0.39 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1upu h SER 119 Cb 0.06 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1upu h SER 119 CO -0.13 0.86 0.05 1.23 -1.14 0.00 0.00 176.83 177.70 1upu h GLY 120 N 1.06 0.84 1.06 -3.77 0.00 -1.61 -1.13 103.07 99.53 1upu h GLY 120 Ca 0.22 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1upu h GLY 120 CO -0.01 0.54 -0.19 -2.00 0.00 0.00 0.00 176.54 174.88 1upu h LEU 121 N 0.64 0.94 -1.51 3.11 5.85 -1.01 -2.38 115.31 120.94 1upu h LEU 121 Ca 0.14 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1upu h LEU 121 Cb 0.43 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1upu h LEU 121 CO 0.01 1.13 -0.25 0.03 -0.34 0.00 0.00 178.44 179.02 1upu h ARG 122 N 0.76 0.00 -0.65 1.25 2.47 -1.12 0.19 114.38 117.28 1upu h ARG 122 Ca 0.10 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.74 1upu h ARG 122 Cb 0.75 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.05 1upu h ARG 122 CO 0.06 0.25 0.07 0.00 0.56 0.00 0.00 179.97 180.91 1upu h ALA 123 N 1.75 0.89 0.00 0.04 0.00 -0.69 -3.21 119.26 118.04 1upu h ALA 123 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1upu h ALA 123 Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1upu h ALA 123 CO 0.03 0.67 -1.51 1.33 0.00 0.00 0.00 179.25 179.78 1upu n VAL 124 N -4.20 0.11 -3.69 0.00 0.24 -1.05 -4.67 118.33 105.07 1upu n VAL 124 Ca 0.04 -0.37 -0.28 0.00 -2.04 0.00 0.00 64.34 61.69 1upu n VAL 124 Cb 0.31 0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.74 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 2.53 1.42 -1.50 0.00 3.00 -1.22 -1.78 116.66 119.11 1upu n ARG 126 Ca 0.21 0.51 -0.17 0.00 -0.01 0.00 0.00 57.85 58.39 1upu n ARG 126 Cb 0.39 -2.19 -0.07 0.00 0.00 0.00 0.00 32.46 30.59 1upu n ARG 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1upu n GLY 127 N 2.80 1.70 3.76 -0.13 0.00 -1.26 -4.96 105.19 107.09 1upu n GLY 127 Ca 0.18 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1upu n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1upu s VAL 128 N -2.59 2.16 0.30 1.61 0.11 -0.74 -4.91 120.40 116.35 1upu s VAL 128 Ca 0.00 0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 1upu s VAL 128 Cb 0.00 -3.08 -0.10 0.00 -1.53 0.00 0.00 36.38 31.68 1upu s VAL 128 CO 0.00 0.01 1.18 -0.13 -3.33 0.00 0.00 175.10 172.83 1upu s ARG 129 N -2.60 4.51 -0.18 1.54 0.52 -1.26 -4.90 118.95 116.58 1upu s ARG 129 Ca 0.64 1.96 0.01 0.00 -0.52 0.00 0.00 55.73 57.82 1upu s ARG 129 Cb -0.41 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 31.97 1upu s ARG 129 CO 0.52 0.04 -0.13 0.42 0.02 0.00 0.00 175.30 176.17 1upu s ILE 130 N -1.17 1.69 0.11 1.52 -1.09 -1.26 -0.66 121.20 120.35 1upu s ILE 130 Ca 0.47 -0.87 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1upu s ILE 130 Cb -0.35 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1upu s ILE 130 CO 0.45 0.33 0.28 -0.83 -1.23 0.00 0.00 174.94 173.95 1upu s GLY 131 N 1.41 2.06 0.01 6.18 0.00 0.57 -4.84 107.32 112.70 1upu s GLY 131 Ca 0.02 -0.81 0.06 0.00 0.00 0.00 0.00 44.72 43.98 1upu s GLY 131 CO -0.10 -0.78 -0.18 0.54 0.00 0.00 0.00 173.10 172.59 1upu s LYS 132 N -2.79 1.31 -0.11 2.90 1.02 -0.28 -1.39 119.74 120.40 1upu s LYS 132 Ca 0.37 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.61 1upu s LYS 132 Cb -0.12 -1.32 0.04 0.00 -0.52 0.00 0.00 37.83 35.91 1upu s LYS 132 CO 0.28 0.35 0.03 0.42 -0.92 0.00 0.00 175.35 175.50 1upu s ILE 133 N -0.58 0.28 -0.40 2.17 1.01 -0.76 -0.83 121.20 122.09 1upu s ILE 133 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 1upu s ILE 133 Cb -0.07 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1upu s ILE 133 CO 0.00 0.05 0.27 -0.22 0.00 0.00 0.00 174.94 175.05 1upu s LEU 134 N 2.00 4.98 -0.09 2.97 2.96 0.31 -1.79 118.68 130.02 1upu s LEU 134 Ca 0.03 -0.94 -0.01 0.00 -0.22 0.00 0.00 54.13 52.99 1upu s LEU 134 Cb -0.14 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 1upu s LEU 134 CO -0.06 -0.43 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.86 1upu s ILE 135 N 1.63 3.90 -0.01 6.68 1.09 -1.26 -0.09 121.20 133.14 1upu s ILE 135 Ca 0.04 -0.39 0.01 0.00 -1.10 0.00 0.00 60.65 59.20 1upu s ILE 135 Cb -0.19 -2.63 0.00 0.00 -1.06 0.00 0.00 42.46 38.58 1upu s ILE 135 CO 0.09 0.57 -0.02 -1.58 -0.10 0.00 0.00 174.94 173.91 1upu s GLN 136 N -0.53 0.18 -0.07 2.79 0.74 0.03 -4.92 119.66 117.88 1upu s GLN 136 Ca 0.08 -0.05 -0.29 0.00 0.05 0.00 0.00 55.36 55.16 1upu s GLN 136 Cb -0.12 -0.21 -0.02 0.00 1.10 0.00 0.00 33.01 33.76 1upu s GLN 136 CO 0.02 0.01 0.96 1.03 -0.55 0.00 0.00 175.29 176.76 1upu s ARG 137 N 0.14 4.46 0.10 1.67 0.52 -1.25 -0.99 118.95 123.59 1upu s ARG 137 Ca -0.01 1.32 -0.35 0.00 -0.52 0.00 0.00 55.73 56.18 1upu s ARG 137 Cb -0.03 -3.51 -0.14 0.00 0.52 0.00 0.00 34.95 31.79 1upu s ARG 137 CO -0.00 -0.20 1.58 -3.47 0.02 0.00 0.00 175.30 173.23 1upu n ASP 138 N 4.55 2.84 0.20 0.23 -0.08 0.12 -4.77 116.55 119.64 1upu n ASP 138 Ca 0.07 1.07 0.12 0.00 -1.51 0.00 0.00 54.79 54.54 1upu n ASP 138 Cb 0.50 -1.36 0.66 0.00 2.34 0.00 0.00 41.12 43.25 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 6.15 0.00 0.00 -0.67 5.08 -1.93 1.01 114.58 124.22 1upu h GLU 139 Ca -0.46 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 1upu h GLU 139 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1upu h GLU 139 CO 0.88 0.00 -1.42 2.41 -1.00 0.00 0.00 179.01 179.88 1upu n THR 140 N -2.38 0.79 0.24 1.13 -1.04 -1.26 -4.68 114.28 107.09 1upu n THR 140 Ca -0.02 -0.07 0.12 0.00 -2.04 0.00 0.00 64.05 62.04 1upu n THR 140 Cb 0.10 -1.71 0.56 0.00 -1.82 0.00 0.00 70.33 67.46 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 -0.43 0.43 0.00 12.58 2.02 -1.93 -3.47 112.91 122.12 1upu h THR 141 Ca -0.24 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1upu h THR 141 Cb 1.10 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1upu h THR 141 CO -0.15 0.16 0.00 0.00 0.37 0.00 0.00 175.52 175.90 1upu n ALA 142 N -2.20 0.00 -2.80 6.16 0.00 0.35 -4.89 120.51 117.12 1upu n ALA 142 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1upu n ALA 142 Cb 0.37 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 1upu n ALA 142 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1upu s GLU 143 N -0.66 3.52 0.10 0.00 4.04 -1.25 -4.57 118.70 119.87 1upu s GLU 143 Ca 0.00 -0.31 -0.31 0.00 0.04 0.00 0.00 54.97 54.39 1upu s GLU 143 Cb 0.00 -2.91 -0.08 0.00 0.02 0.00 0.00 34.13 31.16 1upu s GLU 143 CO 0.00 0.50 1.42 -2.14 -1.84 0.00 0.00 175.26 173.19 1upu s PRO 144 N -2.85 4.30 0.01 -4.83 0.02 -1.26 0.14 135.00 130.53 1upu s PRO 144 Ca 0.38 2.09 0.04 0.00 0.02 0.00 0.00 61.00 63.53 1upu s PRO 144 Cb -0.12 -3.31 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 1upu s PRO 144 CO 0.27 -0.48 -0.11 0.15 -0.33 0.00 0.00 177.00 176.50 1upu s LYS 145 N 1.38 0.84 -0.21 5.54 -0.14 -0.16 -4.94 119.74 122.06 1upu s LYS 145 Ca 0.65 -0.51 -0.28 0.00 -1.36 0.00 0.00 55.97 54.48 1upu s LYS 145 Cb -0.37 -0.81 0.00 0.00 -1.68 0.00 0.00 37.83 34.98 1upu s LYS 145 CO 0.30 0.21 0.98 -1.17 -0.76 0.00 0.00 175.35 174.91 1upu s LEU 146 N -0.60 4.13 -0.21 3.17 2.96 -1.26 -0.79 118.68 126.08 1upu s LEU 146 Ca 0.02 1.33 0.03 0.00 -0.22 0.00 0.00 54.13 55.29 1upu s LEU 146 Cb -0.05 -3.46 -0.20 0.00 0.50 0.00 0.00 46.19 42.97 1upu s LEU 146 CO 0.00 -0.58 -0.01 -0.38 -1.32 0.00 0.00 176.35 174.06 1upu n ILE 147 N 5.14 1.54 -3.59 6.68 -0.00 0.87 -4.95 119.36 125.05 1upu n ILE 147 Ca 0.10 -0.64 -0.15 0.00 -0.00 0.00 0.00 62.75 62.05 1upu n ILE 147 Cb 0.47 -1.32 -0.07 0.00 -0.00 0.00 0.00 39.64 38.72 1upu n ILE 147 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 1upu s TYR 148 N -2.53 -0.69 -0.09 1.39 6.14 -1.01 -4.98 117.35 115.59 1upu s TYR 148 Ca -0.27 1.48 -0.14 0.00 0.64 0.00 0.00 57.07 58.77 1upu s TYR 148 Cb 0.08 0.34 0.03 0.00 0.42 0.00 0.00 41.96 42.83 1upu s TYR 148 CO 0.68 -0.45 0.36 -1.83 0.64 0.00 0.00 175.55 174.95 1upu s GLU 149 N -0.32 0.55 -0.29 4.97 4.04 -1.26 0.12 118.70 126.51 1upu s GLU 149 Ca -0.04 0.22 0.00 0.00 0.04 0.00 0.00 54.97 55.19 1upu s GLU 149 Cb -0.03 0.26 0.14 0.00 0.02 0.00 0.00 34.13 34.52 1upu s GLU 149 CO 0.04 -0.12 0.34 0.21 -1.84 0.00 0.00 175.26 173.89 1upu s LYS 150 N -0.47 0.36 0.30 -4.83 2.36 -0.01 -4.99 119.74 112.46 1upu s LYS 150 Ca -0.06 -0.02 0.11 0.00 -2.55 0.00 0.00 55.97 53.45 1upu s LYS 150 Cb -0.04 -0.52 -0.06 0.00 -1.05 0.00 0.00 37.83 36.17 1upu s LYS 150 CO 0.02 -1.02 -0.15 -0.51 1.55 0.00 0.00 175.35 175.24 1upu s LEU 151 N 2.44 2.65 0.36 5.43 1.43 -1.26 -1.12 118.68 128.60 1upu s LEU 151 Ca 0.10 -1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 51.81 1upu s LEU 151 Cb -0.13 -1.04 -0.10 0.00 0.03 0.00 0.00 46.19 44.95 1upu s LEU 151 CO -0.31 -0.08 1.36 -2.16 0.23 0.00 0.00 176.35 175.39 1upu s PRO 152 N -3.56 4.19 0.42 1.29 0.04 -1.26 -4.90 135.00 131.21 1upu s PRO 152 Ca 0.31 2.31 0.16 0.00 0.04 0.00 0.00 61.00 63.82 1upu s PRO 152 Cb -0.02 -2.97 1.06 0.00 0.04 0.00 0.00 34.50 32.61 1upu s PRO 152 CO 0.15 -0.36 1.88 0.00 0.04 0.00 0.00 177.00 178.71 1upu h ALA 153 N 3.10 2.15 -0.54 8.56 0.00 -2.03 -2.26 119.26 128.24 1upu h ALA 153 Ca -0.50 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.17 1upu h ALA 153 Cb 1.24 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1upu h ALA 153 CO 0.64 -0.40 0.14 -0.40 0.00 0.00 0.00 179.25 179.24 1upu n ASP 154 N -4.50 3.11 0.18 0.00 5.75 -1.26 -4.62 116.55 115.21 1upu n ASP 154 Ca 0.17 -3.62 0.18 0.00 -0.01 0.00 0.00 54.79 51.51 1upu n ASP 154 Cb 0.62 -0.69 0.81 0.00 -1.03 0.00 0.00 41.12 40.83 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 1.20 0.43 -0.17 2.12 2.10 -1.78 0.20 117.51 121.62 1upu h ILE 155 Ca 0.31 0.00 0.05 0.00 1.08 0.00 0.00 64.86 66.30 1upu h ILE 155 Cb 2.01 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.52 1upu h ILE 155 CO 0.59 0.00 0.14 0.08 -1.08 0.00 0.00 178.15 177.87 1upu h ARG 156 N 0.00 0.00 -0.61 2.19 0.11 -1.82 -2.11 114.38 112.15 1upu h ARG 156 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1upu h ARG 156 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1upu h ARG 156 CO -0.00 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.46 1upu n GLU 157 N -4.28 2.98 -4.47 0.08 1.02 0.70 -4.50 120.64 112.17 1upu n GLU 157 Ca 0.01 -2.18 -0.22 0.00 -0.02 0.00 0.00 57.16 54.75 1upu n GLU 157 Cb 0.27 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 1upu n GLU 157 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1upu s ARG 158 N -1.69 1.72 0.01 3.49 0.52 -0.79 -4.73 118.95 117.48 1upu s ARG 158 Ca 0.39 -1.98 -0.22 0.00 -0.52 0.00 0.00 55.73 53.39 1upu s ARG 158 Cb 0.24 -0.77 -0.05 0.00 0.52 0.00 0.00 34.95 34.89 1upu s ARG 158 CO 0.20 -0.28 0.67 -1.58 0.02 0.00 0.00 175.30 174.34 1upu s TRP 159 N -3.30 3.70 -0.23 -0.53 0.52 0.11 -4.79 118.94 114.42 1upu s TRP 159 Ca 0.33 1.31 -0.06 0.00 0.02 0.00 0.00 56.10 57.70 1upu s TRP 159 Cb 0.07 -2.71 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 1upu s TRP 159 CO 0.15 0.30 0.03 0.08 0.02 0.00 0.00 176.95 177.53 1upu s VAL 160 N -0.07 4.03 -0.61 4.03 1.01 -0.15 -1.68 120.40 126.97 1upu s VAL 160 Ca 0.34 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 1upu s VAL 160 Cb -0.19 -2.86 0.08 0.00 0.00 0.00 0.00 36.38 33.41 1upu s VAL 160 CO 0.20 0.38 0.80 -0.32 0.00 0.00 0.00 175.10 176.15 1upu s MET 161 N 1.43 3.09 -0.15 2.72 1.75 -0.43 0.47 119.30 128.18 1upu s MET 161 Ca 0.05 -1.06 -0.22 0.00 -1.25 0.00 0.00 55.69 53.21 1upu s MET 161 Cb -0.15 -4.23 -0.03 0.00 2.84 0.00 0.00 34.83 33.27 1upu s MET 161 CO 0.02 -1.61 0.66 -1.17 -0.65 0.00 0.00 175.02 172.27 1upu s LEU 162 N 3.22 4.21 -0.22 4.11 2.96 0.31 -0.02 118.68 133.25 1upu s LEU 162 Ca 0.16 0.97 -0.03 0.00 -0.22 0.00 0.00 54.13 55.02 1upu s LEU 162 Cb -0.21 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.52 1upu s LEU 162 CO 0.09 -0.22 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.06 1upu s LEU 163 N 1.52 2.78 -0.30 -0.68 1.43 0.82 -0.19 118.68 124.06 1upu s LEU 163 Ca 0.32 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1upu s LEU 163 Cb -0.16 -1.68 0.19 0.00 0.03 0.00 0.00 46.19 44.57 1upu s LEU 163 CO 0.13 -0.03 0.67 -0.62 0.23 0.00 0.00 176.35 176.72 1upu s ASP 164 N 1.42 -1.25 0.37 2.29 2.15 -1.07 -1.95 116.67 118.64 1upu s ASP 164 Ca 0.05 0.82 0.12 0.00 0.43 0.00 0.00 52.55 53.97 1upu s ASP 164 Cb -0.14 2.06 0.92 0.00 -0.30 0.00 0.00 42.92 45.46 1upu s ASP 164 CO -0.05 -0.23 1.84 -0.65 -0.17 0.00 0.00 175.17 175.91 1upu h PRO 165 N 8.00 0.57 -6.79 4.34 0.11 -1.80 -3.37 132.00 133.06 1upu h PRO 165 Ca -0.21 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 65.17 1upu h PRO 165 Cb 1.16 -0.13 -0.25 0.00 0.11 0.00 0.00 31.00 31.90 1upu h PRO 165 CO 0.20 0.38 -0.87 -1.64 -0.21 0.00 0.00 178.00 175.85 1upu s MET 166 N -5.61 1.61 -0.34 1.05 -1.94 -1.26 -0.63 119.30 112.19 1upu s MET 166 Ca -0.09 -1.21 -0.01 0.00 -1.71 0.00 0.00 55.69 52.67 1upu s MET 166 Cb 0.23 -1.93 0.12 0.00 2.01 0.00 0.00 34.83 35.26 1upu s MET 166 CO 0.79 0.48 0.17 0.00 -0.01 0.00 0.00 175.02 176.45 1upu n ALA 168 N 4.50 0.00 0.41 0.00 0.00 -1.26 -1.34 120.51 122.81 1upu n ALA 168 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1upu n ALA 168 Cb 0.39 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.97 1upu n ALA 168 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1upu h THR 169 N 0.00 0.00 -0.02 0.00 1.35 -1.94 -2.66 112.91 109.64 1upu h THR 169 Ca 0.00 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.17 1upu h THR 169 Cb 0.00 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1upu h THR 169 CO 0.00 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.26 1upu n ALA 170 N -1.95 -0.01 0.36 6.62 0.00 -1.26 -4.57 120.51 119.70 1upu n ALA 170 Ca 0.02 0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 1upu n ALA 170 Cb 0.48 -0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.93 0.93 0.00 0.00 -1.97 -0.88 103.07 100.22 1upu h GLY 171 Ca -0.01 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1upu h GLY 171 CO 0.01 -0.34 -0.06 1.48 0.00 0.00 0.00 176.54 177.63 1upu h SER 172 N -0.93 -0.13 -0.91 0.19 4.64 -1.98 -1.81 113.55 112.61 1upu h SER 172 Ca -0.09 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1upu h SER 172 Cb 0.70 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 1upu h SER 172 CO 0.15 -0.03 0.60 1.62 -0.87 0.00 0.00 176.83 178.30 1upu h VAL 173 N -0.23 1.15 -0.75 0.95 3.04 -1.94 -0.11 116.25 118.36 1upu h VAL 173 Ca -0.02 -0.39 -0.01 0.00 -1.01 0.00 0.00 66.70 65.27 1upu h VAL 173 Cb 0.18 -0.09 -0.04 0.00 -2.01 0.00 0.00 31.29 29.34 1upu h VAL 173 CO 0.03 0.21 0.42 0.00 -1.01 0.00 0.00 177.57 177.22 1upu h LYS 175 N 1.04 0.89 -0.46 0.00 1.63 -0.53 -0.87 116.57 118.26 1upu h LYS 175 Ca 0.27 -0.27 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1upu h LYS 175 Cb 0.02 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 1upu h LYS 175 CO -0.04 0.90 0.24 0.00 -3.45 0.00 0.00 179.45 177.10 1upu h ALA 176 N 0.95 0.58 -0.53 5.00 0.00 -0.35 -1.07 119.26 123.84 1upu h ALA 176 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1upu h ALA 176 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1upu h ALA 176 CO 0.02 -0.11 0.33 0.82 0.00 0.00 0.00 179.25 180.31 1upu h ILE 177 N 0.47 1.08 -0.56 0.00 2.04 -0.47 -1.81 117.51 118.26 1upu h ILE 177 Ca 0.20 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1upu h ILE 177 Cb 0.09 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 1upu h ILE 177 CO -0.13 0.12 0.23 -0.08 0.00 0.00 0.00 178.15 178.29 1upu h GLU 178 N 0.66 0.42 -0.58 2.37 4.81 -0.18 0.14 114.58 122.22 1upu h GLU 178 Ca 0.21 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1upu h GLU 178 Cb -0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1upu h GLU 178 CO -0.08 0.28 0.22 -0.39 -0.73 0.00 0.00 179.01 178.31 1upu h VAL 179 N 0.43 1.23 -0.60 0.32 -1.51 -0.82 -2.06 116.25 113.24 1upu h VAL 179 Ca 0.27 -0.73 0.06 0.00 -1.23 0.00 0.00 66.70 65.07 1upu h VAL 179 Cb 0.28 0.61 -0.05 0.00 -2.13 0.00 0.00 31.29 30.00 1upu h VAL 179 CO -0.25 0.28 0.31 -0.07 -1.23 0.00 0.00 177.57 176.61 1upu h LEU 180 N 0.81 0.45 -1.57 4.19 4.07 -0.42 -1.73 115.31 121.11 1upu h LEU 180 Ca 0.19 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 1upu h LEU 180 Cb 0.22 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1upu h LEU 180 CO -0.01 0.30 0.21 -0.07 -1.08 0.00 0.00 178.44 177.78 1upu h LEU 181 N 0.59 0.44 -1.30 1.67 3.38 -0.69 -1.32 115.31 118.07 1upu h LEU 181 Ca 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1upu h LEU 181 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1upu h LEU 181 CO -0.18 0.35 0.00 -0.09 0.09 0.00 0.00 178.44 178.61 1upu h ARG 182 N 0.51 0.00 -0.01 1.13 2.43 -0.62 -1.75 114.38 116.07 1upu h ARG 182 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1upu h ARG 182 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1upu h ARG 182 CO -0.02 0.00 -0.35 1.28 -1.51 0.00 0.00 179.97 179.37 1upu n LEU 183 N -3.05 1.03 0.00 3.80 4.32 -0.54 -4.94 117.00 117.63 1upu n LEU 183 Ca 0.01 -0.27 0.00 0.00 -0.02 0.00 0.00 56.01 55.72 1upu n LEU 183 Cb 0.32 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1upu n LEU 183 CO 0.27 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 1upu n GLY 184 N 1.38 0.87 3.76 -0.72 0.00 -0.66 -4.59 105.19 105.24 1upu n GLY 184 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1upu n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upu s VAL 185 N -2.00 2.65 -0.10 1.61 1.01 -0.95 -4.75 120.40 117.87 1upu s VAL 185 Ca 0.00 0.53 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1upu s VAL 185 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1upu s VAL 185 CO 0.00 0.04 0.77 -0.54 0.00 0.00 0.00 175.10 175.37 1upu s LYS 186 N -2.52 4.38 0.25 2.72 3.01 -1.26 -4.54 119.74 121.78 1upu s LYS 186 Ca 0.62 0.97 -0.05 0.00 -1.01 0.00 0.00 55.97 56.50 1upu s LYS 186 Cb -0.36 -3.50 0.49 0.00 -1.01 0.00 0.00 37.83 33.45 1upu s LYS 186 CO 0.44 -0.11 1.65 1.49 0.51 0.00 0.00 175.35 179.34 1upu h GLU 187 N 7.02 0.16 0.00 1.68 4.81 -1.93 0.46 114.58 126.77 1upu h GLU 187 Ca -0.36 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1upu h GLU 187 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1upu h GLU 187 CO 0.78 0.11 0.00 -0.85 -0.73 0.00 0.00 179.01 178.32 1upu n GLU 188 N -5.27 0.30 -0.21 1.92 0.00 -1.25 -2.31 120.64 113.81 1upu n GLU 188 Ca 0.15 0.02 0.06 0.00 0.00 0.00 0.00 57.16 57.39 1upu n GLU 188 Cb 0.50 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.62 1upu n GLU 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1upu n ARG 189 N -1.02 2.86 -3.88 3.44 1.74 0.16 -4.91 116.66 115.04 1upu n ARG 189 Ca 0.07 -2.14 -0.35 0.00 -0.77 0.00 0.00 57.85 54.66 1upu n ARG 189 Cb 0.04 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.01 5.17 -0.25 0.55 1.01 -0.98 -0.97 121.20 124.71 1upu s ILE 190 Ca 0.27 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1upu s ILE 190 Cb 0.14 -3.32 0.06 0.00 0.01 0.00 0.00 42.46 39.35 1upu s ILE 190 CO 0.18 0.49 -0.12 -0.63 0.00 0.00 0.00 174.94 174.86 1upu s ILE 191 N 0.05 2.16 -0.39 2.92 1.01 0.18 -2.23 121.20 124.89 1upu s ILE 191 Ca 0.08 -1.58 -0.26 0.00 0.00 0.00 0.00 60.65 58.89 1upu s ILE 191 Cb -0.12 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1upu s ILE 191 CO -0.00 0.02 0.92 0.12 0.00 0.00 0.00 174.94 176.00 1upu s PHE 192 N 1.12 3.04 -0.30 3.97 5.36 0.12 -0.53 117.98 130.75 1upu s PHE 192 Ca -0.08 0.66 -0.12 0.00 -0.96 0.00 0.00 56.93 56.43 1upu s PHE 192 Cb -0.19 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 38.72 1upu s PHE 192 CO -0.06 -0.90 0.21 0.08 -1.46 0.00 0.00 175.22 173.10 1upu s VAL 193 N 3.54 5.30 0.04 3.12 1.01 0.73 -0.37 120.40 133.77 1upu s VAL 193 Ca 0.38 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1upu s VAL 193 Cb -0.11 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1upu s VAL 193 CO 0.21 0.15 -0.05 0.21 0.00 0.00 0.00 175.10 175.62 1upu s ASN 194 N 1.75 0.60 -0.17 3.32 3.84 0.05 -2.60 114.94 121.73 1upu s ASN 194 Ca 0.07 -0.63 -0.13 0.00 0.21 0.00 0.00 52.86 52.38 1upu s ASN 194 Cb -0.16 0.09 -0.07 0.00 -0.55 0.00 0.00 41.25 40.55 1upu s ASN 194 CO 0.11 -0.31 -0.13 -0.38 -2.79 0.00 0.00 177.10 173.59 1upu n ILE 195 N 1.21 1.46 -4.91 -5.21 5.41 0.14 -3.00 119.36 114.46 1upu n ILE 195 Ca -0.21 0.13 -0.26 0.00 1.00 0.00 0.00 62.75 63.41 1upu n ILE 195 Cb 0.56 -2.29 -0.16 0.00 -0.71 0.00 0.00 39.64 37.04 1upu n ILE 195 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1upu s LEU 196 N -8.08 1.99 0.06 1.39 0.20 0.19 -1.42 118.68 113.02 1upu s LEU 196 Ca -0.21 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.28 1upu s LEU 196 Cb 0.04 -1.00 -0.03 0.00 -0.43 0.00 0.00 46.19 44.77 1upu s LEU 196 CO 0.33 0.20 -0.08 0.00 -0.29 0.00 0.00 176.35 176.52 1upu s ALA 197 N -0.23 0.72 0.05 5.97 0.00 -0.76 -1.27 121.76 126.24 1upu s ALA 197 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1upu s ALA 197 Cb -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1upu s ALA 197 CO 0.01 -0.09 0.09 0.00 0.00 0.00 0.00 175.76 175.77 1upu s ALA 198 N -2.11 3.61 0.19 0.00 0.00 -0.45 0.00 121.76 123.00 1upu s ALA 198 Ca -0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1upu s ALA 198 Cb -0.05 -1.52 0.23 0.00 0.00 0.00 0.00 23.12 21.78 1upu s ALA 198 CO -0.01 0.74 1.71 -1.35 0.00 0.00 0.00 175.76 176.85 1upu h PRO 199 N 3.56 0.24 -1.00 0.00 0.11 -1.85 -1.80 132.00 131.25 1upu h PRO 199 Ca -0.47 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1upu h PRO 199 Cb 1.17 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1upu h PRO 199 CO 0.66 0.16 0.64 -0.56 -0.21 0.00 0.00 178.00 178.69 1upu h GLN 200 N 0.24 1.10 -0.22 1.05 3.07 -1.94 0.59 115.11 119.00 1upu h GLN 200 Ca 0.27 -0.07 -0.01 0.00 0.09 0.00 0.00 58.65 58.94 1upu h GLN 200 Cb 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 1upu h GLN 200 CO -0.36 0.73 0.09 0.78 0.09 0.00 0.00 178.83 180.16 1upu h GLY 201 N 1.13 0.35 0.65 0.06 0.00 -0.97 0.97 103.07 105.25 1upu h GLY 201 Ca 0.45 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.64 1upu h GLY 201 CO -0.19 0.17 0.15 -2.22 0.00 0.00 0.00 176.54 174.45 1upu h ILE 202 N 0.20 0.88 -0.52 2.60 2.04 -0.87 -0.46 117.51 121.38 1upu h ILE 202 Ca 0.07 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1upu h ILE 202 Cb 0.16 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1upu h ILE 202 CO -0.01 0.06 0.32 -0.33 0.00 0.00 0.00 178.15 178.19 1upu h GLU 203 N 0.31 0.61 -0.19 2.37 5.08 -0.56 -2.37 114.58 119.83 1upu h GLU 203 Ca 0.19 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1upu h GLU 203 Cb 0.17 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1upu h GLU 203 CO -0.19 0.40 0.07 -0.09 -1.00 0.00 0.00 179.01 178.20 1upu h ARG 204 N 0.63 0.30 -0.58 2.33 2.43 -0.12 -1.05 114.38 118.31 1upu h ARG 204 Ca 0.21 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.44 1upu h ARG 204 Cb 0.01 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.42 1upu h ARG 204 CO -0.09 0.38 -0.02 0.28 -1.51 0.00 0.00 179.97 179.01 1upu h VAL 205 N 0.15 0.51 -0.08 0.20 2.07 -0.85 -0.88 116.25 117.36 1upu h VAL 205 Ca 0.06 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 1upu h VAL 205 Cb 0.21 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1upu h VAL 205 CO -0.00 0.02 -0.43 -0.26 0.02 0.00 0.00 177.57 176.92 1upu h PHE 206 N 0.09 0.22 0.34 1.57 0.04 -1.34 0.76 116.94 118.62 1upu h PHE 206 Ca 0.29 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 1upu h PHE 206 Cb 0.47 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1upu h PHE 206 CO -0.37 0.59 -0.17 -0.22 -0.60 0.00 0.00 178.31 177.54 1upu h LYS 207 N 0.16 -0.45 0.01 1.51 3.64 0.12 -2.54 116.57 119.03 1upu h LYS 207 Ca 0.01 0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.21 1upu h LYS 207 Cb 0.82 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1upu h LYS 207 CO 0.06 -0.30 -0.94 0.93 -2.27 0.00 0.00 179.45 176.94 1upu h GLU 208 N -0.46 0.29 -2.25 1.90 5.08 -0.92 -3.39 114.58 114.82 1upu h GLU 208 Ca -0.04 -0.33 -0.58 0.00 -1.00 0.00 0.00 59.36 57.41 1upu h GLU 208 Cb 0.36 0.10 -0.39 0.00 0.50 0.00 0.00 28.75 29.32 1upu h GLU 208 CO 0.07 1.04 -1.00 0.66 -1.00 0.00 0.00 179.01 178.77 1upu n TYR 209 N -3.68 -0.49 0.32 4.33 4.01 0.26 -4.95 117.16 116.96 1upu n TYR 209 Ca -0.05 -3.45 0.20 0.00 -0.16 0.00 0.00 57.90 54.44 1upu n TYR 209 Cb 0.84 -0.01 1.05 0.00 -0.31 0.00 0.00 39.34 40.92 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 4.99 0.00 -0.03 -0.72 0.13 -1.61 -2.84 132.00 131.92 1upu h PRO 210 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1upu h PRO 210 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1upu h PRO 210 CO 0.43 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.83 1upu n LYS 211 N -3.20 1.85 -1.92 0.86 5.02 -1.26 -4.95 118.16 114.56 1upu n LYS 211 Ca -0.02 -1.24 -0.29 0.00 -2.02 0.00 0.00 58.31 54.73 1upu n LYS 211 Cb 0.18 -1.47 0.15 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.98 2.00 0.03 -0.18 -7.23 -1.07 -3.95 120.40 108.02 1upu s VAL 212 Ca 0.35 -0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.59 1upu s VAL 212 Cb 0.21 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 1upu s VAL 212 CO 0.32 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.77 1upu s ARG 213 N -5.78 1.51 -0.07 4.82 0.52 -0.95 -4.87 118.95 114.14 1upu s ARG 213 Ca 0.70 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 55.00 1upu s ARG 213 Cb -0.06 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.82 1upu s ARG 213 CO 0.52 0.42 -0.13 1.41 0.02 0.00 0.00 175.30 177.53 1upu s MET 214 N -1.05 1.83 -0.12 3.54 1.75 -0.61 0.11 119.30 124.75 1upu s MET 214 Ca 0.08 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 54.07 1upu s MET 214 Cb -0.09 -1.52 -0.02 0.00 2.84 0.00 0.00 34.83 36.04 1upu s MET 214 CO 0.01 0.01 -0.13 0.08 -0.65 0.00 0.00 175.02 174.35 1upu s VAL 215 N 0.73 3.07 0.11 10.11 1.01 0.51 0.06 120.40 136.01 1upu s VAL 215 Ca -0.13 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1upu s VAL 215 Cb -0.16 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1upu s VAL 215 CO 0.03 0.53 0.20 0.28 0.00 0.00 0.00 175.10 176.14 1upu s THR 216 N 0.25 0.12 -0.08 3.92 -1.32 -0.38 -0.77 115.64 117.38 1upu s THR 216 Ca -0.09 -1.32 0.21 0.00 -1.21 0.00 0.00 61.69 59.27 1upu s THR 216 Cb -0.15 -1.56 -0.31 0.00 -1.51 0.00 0.00 72.50 68.97 1upu s THR 216 CO 0.05 -0.54 0.35 0.00 -2.21 0.00 0.00 174.62 172.27 1upu n ALA 217 N -0.10 2.41 -3.22 11.08 0.00 -0.74 -1.32 120.51 128.61 1upu n ALA 217 Ca -0.12 -0.77 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 1upu n ALA 217 Cb 0.63 -0.57 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 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 -3.20 -0.97 -0.15 0.00 0.00 -0.50 -4.64 121.76 112.29 1upu s ALA 218 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1upu s ALA 218 Cb 0.12 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1upu s ALA 218 CO 0.88 -0.35 -0.13 0.08 0.00 0.00 0.00 175.76 176.24 1upu s VAL 219 N -1.82 1.49 0.92 0.00 1.01 -1.26 -1.82 120.40 118.92 1upu s VAL 219 Ca -0.10 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1upu s VAL 219 Cb -0.03 -1.42 0.19 0.00 0.00 0.00 0.00 36.38 35.12 1upu s VAL 219 CO 0.02 0.43 1.27 -1.81 0.00 0.00 0.00 175.10 175.00 1upu s ASP 220 N 1.52 3.33 0.01 3.32 1.11 0.10 -4.96 116.67 121.10 1upu s ASP 220 Ca 0.05 0.15 -0.13 0.00 0.18 0.00 0.00 52.55 52.79 1upu s ASP 220 Cb -0.13 -0.25 -0.34 0.00 1.07 0.00 0.00 42.92 43.28 1upu s ASP 220 CO -0.10 -2.58 0.92 0.16 1.18 0.00 0.00 175.17 174.74 1upu h ILE 221 N -1.45 1.20 -2.15 0.77 -0.00 -1.68 -3.38 117.51 110.82 1upu h ILE 221 Ca -0.43 -2.69 0.33 0.00 -0.00 0.00 0.00 64.86 62.07 1upu h ILE 221 Cb 1.24 2.96 -0.07 0.00 -0.00 0.00 0.00 36.82 40.95 1upu h ILE 221 CO 0.38 0.83 0.87 0.00 -0.00 0.00 0.00 178.15 180.23 1upu s LEU 223 N -3.75 4.32 0.52 0.00 1.43 -1.26 -0.22 118.68 119.73 1upu s LEU 223 Ca 0.28 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1upu s LEU 223 Cb -0.01 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.36 1upu s LEU 223 CO -0.00 0.04 0.51 0.54 0.23 0.00 0.00 176.35 177.67 1upu s ASN 224 N -3.29 4.87 0.36 2.29 4.22 0.24 -4.85 114.94 118.78 1upu s ASN 224 Ca 0.34 -1.01 0.17 0.00 -2.14 0.00 0.00 52.86 50.22 1upu s ASN 224 Cb -0.11 0.14 1.22 0.00 1.28 0.00 0.00 41.25 43.78 1upu s ASN 224 CO 0.28 -1.06 1.58 0.28 -2.04 0.00 0.00 177.10 176.14 1upu h SER 225 N 0.66 0.16 -0.29 3.54 0.02 -2.00 1.72 113.55 117.36 1upu h SER 225 Ca -0.36 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1upu h SER 225 Cb 1.29 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1upu h SER 225 CO 0.53 -0.42 0.00 -1.14 -1.14 0.00 0.00 176.83 174.66 1upu n ARG 226 N -5.30 2.10 -3.19 3.45 0.00 -1.26 -4.87 116.66 107.58 1upu n ARG 226 Ca 0.35 -1.21 -0.18 0.00 -0.00 0.00 0.00 57.85 56.81 1upu n ARG 226 Cb 1.18 -1.47 0.05 0.00 0.00 0.00 0.00 32.46 32.21 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 0.36 -2.00 -4.01 -0.14 4.02 0.58 -5.00 117.16 110.97 1upu n TYR 227 Ca 0.11 0.66 -0.34 0.00 -0.01 0.00 0.00 57.90 58.33 1upu n TYR 227 Cb 0.42 -3.98 -0.06 0.00 -0.02 0.00 0.00 39.34 35.70 1upu n TYR 227 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1upu s TYR 228 N -3.18 3.42 0.20 -0.72 2.02 -1.23 -4.75 117.35 113.11 1upu s TYR 228 Ca 0.38 0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 57.09 1upu s TYR 228 Cb -0.17 -1.80 -0.08 0.00 -0.40 0.00 0.00 41.96 39.51 1upu s TYR 228 CO 0.48 0.61 1.14 0.42 -1.57 0.00 0.00 175.55 176.62 1upu s ILE 229 N -1.20 3.67 -0.01 2.71 1.01 -1.26 0.82 121.20 126.95 1upu s ILE 229 Ca 0.23 1.47 0.05 0.00 0.00 0.00 0.00 60.65 62.39 1upu s ILE 229 Cb -0.12 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1upu s ILE 229 CO 0.13 0.26 -0.15 0.68 0.00 0.00 0.00 174.94 175.87 1upu s VAL 230 N -0.34 1.17 0.59 2.92 -7.23 0.69 -2.31 120.40 115.89 1upu s VAL 230 Ca 0.50 -0.67 0.38 0.00 -1.81 0.00 0.00 61.98 60.38 1upu s VAL 230 Cb -0.31 -0.98 0.40 0.00 0.56 0.00 0.00 36.38 36.05 1upu s VAL 230 CO 0.37 0.30 2.29 -0.65 -0.31 0.00 0.00 175.10 177.10 1upu h PRO 231 N 5.69 0.00 0.00 4.82 0.11 -1.95 -2.01 132.00 138.66 1upu h PRO 231 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1upu h PRO 231 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1upu h PRO 231 CO 0.48 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 1upu n GLY 232 N -1.06 -0.03 0.00 -0.55 0.00 -0.98 -4.79 105.19 97.78 1upu n GLY 232 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.31 0.00 -0.86 -0.61 3.06 -1.26 -4.85 119.36 114.52 1upu n ILE 233 Ca 0.00 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1upu n ILE 233 Cb 0.00 1.20 0.00 0.00 0.54 0.00 0.00 39.64 41.38 1upu n ILE 233 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1upu n GLY 234 N 0.09 -0.31 3.36 4.50 0.00 -1.26 -4.69 105.19 106.86 1upu n GLY 234 Ca 0.00 -1.69 -0.45 0.00 0.00 0.00 0.00 46.02 43.88 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 6.19 0.19 1.61 -1.08 -1.26 -4.94 116.67 113.37 1upu s ASP 235 Ca 0.00 -1.52 -0.19 0.00 -0.52 0.00 0.00 52.55 50.32 1upu s ASP 235 Cb 0.00 -2.26 0.15 0.00 -1.46 0.00 0.00 42.92 39.35 1upu s ASP 235 CO 0.00 -0.98 1.60 0.15 0.52 0.00 0.00 175.17 176.46 1upu h PHE 236 N 9.04 -0.76 -0.89 -5.34 3.04 -1.99 -1.18 116.94 118.86 1upu h PHE 236 Ca -0.29 0.07 0.11 0.00 3.98 0.00 0.00 57.97 61.83 1upu h PHE 236 Cb 1.09 0.42 -0.07 0.00 2.56 0.00 0.00 35.95 39.96 1upu h PHE 236 CO 0.78 -0.35 0.57 0.78 -2.02 0.00 0.00 178.31 178.07 1upu h GLY 237 N -0.13 1.27 0.97 2.40 0.00 -1.92 0.29 103.07 105.94 1upu h GLY 237 Ca 0.24 -0.35 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 1upu h GLY 237 CO -0.65 0.18 -0.74 -0.55 0.00 0.00 0.00 176.54 174.78 1upu h ASP 238 N 0.84 0.71 -0.24 0.19 3.32 -1.60 -2.20 116.42 117.43 1upu h ASP 238 Ca 0.42 -0.72 -0.14 0.00 0.02 0.00 0.00 57.03 56.61 1upu h ASP 238 Cb 0.48 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1upu h ASP 238 CO -0.19 1.33 -0.35 0.03 -1.72 0.00 0.00 179.24 178.34 1upu h ARG 239 N 0.15 0.77 -0.16 3.56 3.08 -0.76 0.87 114.38 121.89 1upu h ARG 239 Ca -0.08 -0.38 -0.17 0.00 0.07 0.00 0.00 59.98 59.42 1upu h ARG 239 Cb 1.41 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.47 1upu h ARG 239 CO 0.15 1.00 -0.55 -0.92 -1.07 0.00 0.00 179.97 178.58 1upu h TYR 240 N 0.64 0.87 0.00 3.04 5.03 -0.51 -3.31 116.97 122.73 1upu h TYR 240 Ca 0.06 -0.36 0.00 0.00 2.58 0.00 0.00 58.73 61.02 1upu h TYR 240 Cb 0.90 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1upu h TYR 240 CO 0.05 1.15 -0.70 1.19 -1.32 0.00 0.00 178.16 178.53 1upu n PHE 241 N -4.13 0.26 -2.61 -3.82 3.72 -0.83 -4.89 117.46 105.15 1upu n PHE 241 Ca -0.07 0.08 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 1upu n PHE 241 Cb 0.62 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.41 0.75 1.52 1.37 0.00 0.22 -4.95 105.19 105.51 1upu n GLY 242 Ca 0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.87 2.68 0.00 2.61 -2.24 -0.74 -5.04 114.28 108.69 1upu n THR 243 Ca -0.00 -3.17 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 1upu n THR 243 Cb 0.51 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1upu n THR 243 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73