#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksq h PRO 22 N 0.00 0.00 -5.12 3.44 0.13 -2.03 -3.42 132.00 125.00 3ksq h PRO 22 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 3ksq h PRO 22 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 3ksq h PRO 22 CO 0.00 0.00 -0.29 -0.51 -0.23 0.00 0.00 178.00 176.97 3ksq s LEU 23 N -4.67 4.04 0.24 1.56 1.43 -1.26 -4.98 118.68 115.03 3ksq s LEU 23 Ca 0.03 0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 3ksq s LEU 23 Cb 0.09 -2.37 0.42 0.00 0.03 0.00 0.00 46.19 44.36 3ksq s LEU 23 CO 0.40 -0.15 1.69 0.22 0.23 0.00 0.00 176.35 178.74 3ksq h TYR 24 N 8.14 0.26 0.00 0.29 3.20 -1.94 -1.52 116.97 125.40 3ksq h TYR 24 Ca -0.33 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.59 3ksq h TYR 24 Cb 1.17 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3ksq h TYR 24 CO 0.75 -0.07 0.00 0.77 -1.64 0.00 0.00 178.16 177.97 3ksq h SER 25 N 0.27 0.00 -0.11 -2.11 0.02 -1.94 -3.00 113.55 106.68 3ksq h SER 25 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3ksq h SER 25 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3ksq h SER 25 CO -0.48 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.39 3ksq n LEU 26 N -2.73 2.93 -4.77 5.07 4.32 -0.59 -4.89 117.00 116.35 3ksq n LEU 26 Ca 0.01 -1.13 -0.38 0.00 -0.02 0.00 0.00 56.01 54.49 3ksq n LEU 26 Cb 0.26 -0.06 -0.01 0.00 -1.62 0.00 0.00 43.42 42.00 3ksq n LEU 26 CO 0.24 0.54 0.86 -0.13 -1.22 0.00 0.00 177.39 177.68 3ksq s ARG 27 N -1.70 3.79 0.35 3.23 0.52 -1.14 -4.03 118.95 119.97 3ksq s ARG 27 Ca 0.28 1.88 0.03 0.00 -0.52 0.00 0.00 55.73 57.40 3ksq s ARG 27 Cb 0.19 -2.49 0.66 0.00 0.52 0.00 0.00 34.95 33.82 3ksq s ARG 27 CO 0.28 -0.55 1.99 -1.35 0.02 0.00 0.00 175.30 175.68 3ksq h PRO 28 N 2.20 0.82 0.00 3.54 0.11 -1.94 -1.93 132.00 134.80 3ksq h PRO 28 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 3ksq h PRO 28 Cb 1.25 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ksq h PRO 28 CO 0.61 0.54 -0.02 1.05 -0.21 0.00 0.00 178.00 179.97 3ksq h GLU 29 N 0.85 0.00 0.00 1.05 9.09 -1.95 -2.87 114.58 120.75 3ksq h GLU 29 Ca 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.68 3ksq h GLU 29 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3ksq h GLU 29 CO -0.07 0.02 -0.01 1.25 0.05 0.00 0.00 179.01 180.25 3ksq h HIS 30 N 0.00 0.00 -0.04 2.06 2.76 -1.64 -1.86 115.15 116.43 3ksq h HIS 30 Ca -0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3ksq h HIS 30 Cb 0.16 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 3ksq h HIS 30 CO 0.00 0.01 0.03 0.00 -1.30 0.00 0.00 177.93 176.67 3ksq h ALA 31 N 1.99 1.99 0.00 5.26 0.00 -1.69 -1.23 119.26 125.59 3ksq h ALA 31 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ksq h ALA 31 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ksq h ALA 31 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3ksq h ARG 32 N 0.00 0.00 0.00 0.00 3.08 -1.57 -2.92 114.38 112.97 3ksq h ARG 32 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3ksq h ARG 32 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3ksq h ARG 32 CO -0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3ksq n GLU 33 N -3.03 0.44 -1.49 0.04 -0.58 -0.46 -4.90 120.64 110.65 3ksq n GLU 33 Ca -0.01 0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 3ksq n GLU 33 Cb 0.21 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.67 3ksq n GLU 33 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3ksq s ARG 34 N -2.54 2.23 0.19 3.49 1.81 -1.10 -4.10 118.95 118.93 3ksq s ARG 34 Ca 0.28 1.75 -0.33 0.00 -1.72 0.00 0.00 55.73 55.71 3ksq s ARG 34 Cb 0.19 -1.85 -0.14 0.00 -0.45 0.00 0.00 34.95 32.71 3ksq s ARG 34 CO 0.43 -1.76 1.43 -0.11 -0.68 0.00 0.00 175.30 174.61 3ksq n LEU 35 N -2.62 2.80 -4.16 2.53 7.94 -1.26 -4.98 117.00 117.26 3ksq n LEU 35 Ca 0.13 1.12 -0.38 0.00 -1.11 0.00 0.00 56.01 55.77 3ksq n LEU 35 Cb 0.50 -1.38 -0.10 0.00 0.53 0.00 0.00 43.42 42.97 3ksq n LEU 35 CO 0.47 -0.56 -0.07 -1.10 -1.11 0.00 0.00 177.39 175.03 3ksq s GLN 36 N 0.13 2.30 0.00 1.96 -0.21 -1.26 -4.96 119.66 117.61 3ksq s GLN 36 Ca 0.74 -1.90 0.27 0.00 0.02 0.00 0.00 55.36 54.49 3ksq s GLN 36 Cb -0.71 -3.76 1.44 0.00 1.00 0.00 0.00 33.01 30.98 3ksq s GLN 36 CO 0.46 -1.14 1.95 -0.40 -2.12 0.00 0.00 175.29 174.03 3ksq n ASP 37 N 4.58 0.49 -2.19 5.90 5.75 -1.26 -4.94 116.55 124.87 3ksq n ASP 37 Ca -0.03 -1.27 -0.14 0.00 -0.01 0.00 0.00 54.79 53.34 3ksq n ASP 37 Cb 0.41 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 3ksq n ASP 37 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ksq n ASP 38 N -0.57 -4.10 -0.95 -1.12 8.00 -1.26 -0.88 116.55 115.67 3ksq n ASP 38 Ca 0.20 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.78 3ksq n ASP 38 Cb 0.18 -3.54 -0.05 0.00 -0.02 0.00 0.00 41.12 37.68 3ksq n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ksq n SER 39 N -1.54 -5.63 -4.14 -2.24 7.64 -1.26 -4.95 113.62 101.50 3ksq n SER 39 Ca -0.16 0.30 -0.36 0.00 1.01 0.00 0.00 58.87 59.67 3ksq n SER 39 Cb 0.58 -4.26 -0.12 0.00 -1.01 0.00 0.00 64.21 59.41 3ksq n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ksq s VAL 40 N -2.03 3.27 -0.06 0.44 1.01 -0.06 -5.09 120.40 117.88 3ksq s VAL 40 Ca 0.00 -1.88 -0.18 0.00 0.00 0.00 0.00 61.98 59.92 3ksq s VAL 40 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3ksq s VAL 40 CO 0.00 -0.56 0.48 -1.61 0.00 0.00 0.00 175.10 173.41 3ksq s GLU 41 N 1.18 4.22 0.20 2.72 2.02 -1.26 -4.90 118.70 122.88 3ksq s GLU 41 Ca 0.05 0.50 -0.02 0.00 0.02 0.00 0.00 54.97 55.52 3ksq s GLU 41 Cb -0.22 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 3ksq s GLU 41 CO -0.03 0.36 0.17 0.95 0.02 0.00 0.00 175.26 176.73 3ksq s THR 42 N -0.07 0.00 0.26 3.63 -4.23 -1.26 -5.02 115.64 108.95 3ksq s THR 42 Ca 0.26 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 3ksq s THR 42 Cb -0.16 -2.45 0.25 0.00 1.34 0.00 0.00 72.50 71.47 3ksq s THR 42 CO 0.13 -0.02 1.70 0.58 -0.54 0.00 0.00 174.62 176.47 3ksq h VAL 43 N 2.59 0.55 0.21 2.29 2.07 -1.99 -1.55 116.25 120.42 3ksq h VAL 43 Ca -0.35 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3ksq h VAL 43 Cb 1.25 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3ksq h VAL 43 CO 0.51 0.07 -0.32 0.74 0.02 0.00 0.00 177.57 178.59 3ksq h THR 44 N 0.37 0.33 -0.77 2.57 2.02 -1.97 -0.67 112.91 114.80 3ksq h THR 44 Ca 0.46 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.58 3ksq h THR 44 Cb 0.78 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3ksq h THR 44 CO -0.48 0.00 0.26 0.77 0.37 0.00 0.00 175.52 176.44 3ksq h SER 45 N -0.59 1.10 -0.02 4.18 4.64 -1.78 -1.19 113.55 119.89 3ksq h SER 45 Ca 0.01 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3ksq h SER 45 Cb 0.58 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ksq h SER 45 CO -0.13 1.00 0.01 0.40 -0.87 0.00 0.00 176.83 177.25 3ksq h ILE 46 N 1.14 1.05 -0.53 0.95 2.04 -1.21 -0.05 117.51 120.89 3ksq h ILE 46 Ca 0.25 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 3ksq h ILE 46 Cb 0.28 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3ksq h ILE 46 CO -0.01 0.04 -0.00 -0.33 0.00 0.00 0.00 178.15 177.84 3ksq h GLU 47 N -0.02 0.90 -0.30 2.37 4.39 -0.97 -2.53 114.58 118.42 3ksq h GLU 47 Ca 0.01 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 3ksq h GLU 47 Cb 0.05 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3ksq h GLU 47 CO -0.00 0.90 0.04 0.37 -1.16 0.00 0.00 179.01 179.16 3ksq h GLN 48 N 0.83 0.51 -0.95 2.33 5.75 -1.03 -2.91 115.11 119.64 3ksq h GLN 48 Ca 0.16 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3ksq h GLN 48 Cb 0.50 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 3ksq h GLN 48 CO 0.02 0.61 0.62 0.00 -2.65 0.00 0.00 178.83 177.44 3ksq h ALA 49 N 0.87 1.23 -0.35 3.38 0.00 -0.90 -0.87 119.26 122.63 3ksq h ALA 49 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ksq h ALA 49 Cb 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ksq h ALA 49 CO 0.01 0.55 0.22 0.87 0.00 0.00 0.00 179.25 180.89 3ksq h LYS 50 N 1.24 0.47 -0.42 0.00 1.57 -1.43 -0.30 116.57 117.70 3ksq h LYS 50 Ca 0.36 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3ksq h LYS 50 Cb -0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3ksq h LYS 50 CO -0.10 0.34 0.14 0.28 -0.57 0.00 0.00 179.45 179.55 3ksq h VAL 51 N 0.46 1.21 -0.66 0.50 2.07 -1.27 -2.09 116.25 116.47 3ksq h VAL 51 Ca 0.13 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3ksq h VAL 51 Cb -0.01 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3ksq h VAL 51 CO -0.02 0.25 0.36 -0.33 0.02 0.00 0.00 177.57 177.84 3ksq h GLU 52 N 0.54 0.92 -0.66 1.57 5.08 -0.91 -0.47 114.58 120.66 3ksq h GLU 52 Ca 0.14 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3ksq h GLU 52 Cb 0.24 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3ksq h GLU 52 CO -0.01 0.70 0.39 1.49 -1.00 0.00 0.00 179.01 180.58 3ksq h GLU 53 N 0.90 0.90 -0.69 2.33 4.57 -0.95 0.23 114.58 121.88 3ksq h GLU 53 Ca 0.23 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 3ksq h GLU 53 Cb 0.05 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 3ksq h GLU 53 CO -0.04 0.66 0.26 -0.22 -1.18 0.00 0.00 179.01 178.50 3ksq h LYS 54 N 0.90 1.04 -0.30 1.92 3.64 -0.82 -1.90 116.57 121.06 3ksq h LYS 54 Ca 0.24 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3ksq h LYS 54 Cb -0.00 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3ksq h LYS 54 CO -0.04 0.87 -0.28 0.82 -2.27 0.00 0.00 179.45 178.55 3ksq h ILE 55 N 0.99 1.30 -0.81 2.00 1.08 -0.86 -2.79 117.51 118.43 3ksq h ILE 55 Ca 0.23 -1.44 0.02 0.00 -0.39 0.00 0.00 64.86 63.28 3ksq h ILE 55 Cb 0.23 1.56 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 3ksq h ILE 55 CO -0.02 0.46 0.53 -0.61 -0.69 0.00 0.00 178.15 177.83 3ksq h GLN 56 N 0.46 1.02 -0.66 2.37 5.75 -0.78 0.15 115.11 123.42 3ksq h GLN 56 Ca 0.05 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3ksq h GLN 56 Cb 0.85 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 3ksq h GLN 56 CO 0.07 0.67 0.20 0.93 -2.65 0.00 0.00 178.83 178.05 3ksq h GLU 57 N 1.05 1.03 -0.21 1.69 5.08 -1.24 0.16 114.58 122.13 3ksq h GLU 57 Ca 0.31 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3ksq h GLU 57 Cb -0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3ksq h GLU 57 CO -0.08 0.90 0.03 0.28 -1.00 0.00 0.00 179.01 179.15 3ksq h VAL 58 N 0.96 1.23 -0.66 3.13 2.07 -1.03 -1.73 116.25 120.22 3ksq h VAL 58 Ca 0.21 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3ksq h VAL 58 Cb 0.31 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3ksq h VAL 58 CO -0.01 0.23 0.30 -0.26 0.02 0.00 0.00 177.57 177.85 3ksq h PHE 59 N 0.15 0.98 0.00 1.57 0.05 -0.48 -2.97 116.94 116.24 3ksq h PHE 59 Ca 0.06 -0.06 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 3ksq h PHE 59 Cb 0.32 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 37.97 3ksq h PHE 59 CO 0.02 0.74 -0.06 0.77 -0.18 0.00 0.00 178.31 179.61 3ksq h SER 60 N 0.92 0.00 -0.99 2.17 0.02 -0.65 -3.38 113.55 111.64 3ksq h SER 60 Ca 0.22 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 61.47 3ksq h SER 60 Cb 0.15 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.55 3ksq h SER 60 CO -0.02 0.06 0.55 0.77 -1.14 0.00 0.00 176.83 177.05 3ksq h SER 61 N 0.00 0.53 0.11 3.07 4.64 -1.14 -0.86 113.55 119.90 3ksq h SER 61 Ca -0.00 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3ksq h SER 61 Cb 0.80 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3ksq h SER 61 CO 0.01 -0.07 -0.05 1.88 -0.87 0.00 0.00 176.83 177.72 3ksq h TYR 62 N 0.39 -0.13 -0.58 4.77 -1.99 -1.79 -0.66 116.97 116.97 3ksq h TYR 62 Ca 0.70 -0.00 0.02 0.00 2.00 0.00 0.00 58.73 61.45 3ksq h TYR 62 Cb 1.52 0.04 -0.04 0.00 2.00 0.00 0.00 36.73 40.26 3ksq h TYR 62 CO -0.02 -0.03 0.35 -0.22 -0.00 0.00 0.00 178.16 178.24 3ksq h LYS 63 N -0.21 0.68 -0.12 4.88 3.64 -1.45 -0.24 116.57 123.76 3ksq h LYS 63 Ca -0.01 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 3ksq h LYS 63 Cb 0.17 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3ksq h LYS 63 CO 0.02 0.45 -0.49 0.74 -2.27 0.00 0.00 179.45 177.90 3ksq h PHE 64 N 0.70 0.39 -0.02 1.91 0.04 -1.09 -3.05 116.94 115.82 3ksq h PHE 64 Ca 0.23 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3ksq h PHE 64 Cb 0.01 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.08 3ksq h PHE 64 CO -0.05 0.75 -0.10 0.09 -0.60 0.00 0.00 178.31 178.39 3ksq n ASN 65 N -3.96 1.67 -3.54 2.17 5.03 -0.27 -4.98 115.26 111.38 3ksq n ASN 65 Ca -0.02 -1.43 -0.20 0.00 0.87 0.00 0.00 54.58 53.81 3ksq n ASN 65 Cb 0.55 0.07 0.06 0.00 -1.02 0.00 0.00 39.78 39.44 3ksq n ASN 65 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ksq n HIS 66 N 0.14 -2.09 -4.28 3.10 8.25 -0.17 -5.03 115.22 115.14 3ksq n HIS 66 Ca 0.16 0.84 -0.21 0.00 -0.26 0.00 0.00 57.72 58.24 3ksq n HIS 66 Cb 0.40 -4.47 -0.12 0.00 1.12 0.00 0.00 29.99 26.92 3ksq n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ksq s LEU 67 N -6.33 2.37 -0.06 2.41 1.43 -0.80 -5.06 118.68 112.64 3ksq s LEU 67 Ca 0.13 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 3ksq s LEU 67 Cb -0.03 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 3ksq s LEU 67 CO 0.78 -0.03 1.06 -0.69 0.23 0.00 0.00 176.35 177.69 3ksq s VAL 68 N -1.71 4.64 0.24 -1.59 1.01 -1.26 -4.54 120.40 117.19 3ksq s VAL 68 Ca 0.10 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 63.67 3ksq s VAL 68 Cb -0.07 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 3ksq s VAL 68 CO 0.05 0.04 1.46 -2.65 0.00 0.00 0.00 175.10 174.00 3ksq n PRO 69 N 4.77 2.16 -3.69 2.72 -0.02 -1.26 -4.99 135.00 134.69 3ksq n PRO 69 Ca 0.09 0.77 -0.27 0.00 -2.02 0.00 0.00 63.50 62.07 3ksq n PRO 69 Cb 0.48 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 3ksq n PRO 69 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ksq s ARG 70 N -0.24 0.41 -0.56 -0.52 3.52 -1.26 -5.10 118.95 115.19 3ksq s ARG 70 Ca 0.69 -0.25 -0.20 0.00 -0.13 0.00 0.00 55.73 55.84 3ksq s ARG 70 Cb -0.63 -1.92 0.07 0.00 -1.56 0.00 0.00 34.95 30.92 3ksq s ARG 70 CO 0.48 -0.63 0.75 -0.51 -0.81 0.00 0.00 175.30 174.58 3ksq s LEU 71 N 1.98 4.84 -0.14 -0.88 1.02 -1.26 -5.02 118.68 119.22 3ksq s LEU 71 Ca 0.01 -0.97 0.02 0.00 0.02 0.00 0.00 54.13 53.20 3ksq s LEU 71 Cb -0.16 -2.46 0.01 0.00 0.02 0.00 0.00 46.19 43.60 3ksq s LEU 71 CO -0.08 -1.10 -0.19 -0.69 0.02 0.00 0.00 176.35 174.31 3ksq s VAL 72 N 3.10 1.87 -0.26 -1.59 1.01 -1.26 -2.13 120.40 121.13 3ksq s VAL 72 Ca 0.18 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3ksq s VAL 72 Cb -0.19 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3ksq s VAL 72 CO 0.11 0.51 1.06 -0.22 0.00 0.00 0.00 175.10 176.56 3ksq s LEU 73 N 0.96 4.04 -1.22 3.92 2.96 -1.26 -4.92 118.68 123.16 3ksq s LEU 73 Ca -0.05 1.26 -0.10 0.00 -0.22 0.00 0.00 54.13 55.03 3ksq s LEU 73 Cb -0.15 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 3ksq s LEU 73 CO -0.04 -0.75 2.42 0.00 -1.32 0.00 0.00 176.35 176.67 3ksq n GLN 74 N 6.54 2.71 -0.26 1.98 1.13 -1.26 -4.77 117.38 123.44 3ksq n GLN 74 Ca 0.12 -1.89 0.06 0.00 -1.94 0.00 0.00 57.00 53.36 3ksq n GLN 74 Cb 0.46 -2.71 0.18 0.00 0.11 0.00 0.00 30.24 28.28 3ksq n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ksq h ARG 75 N 5.95 0.12 -0.39 -1.09 3.08 -1.96 -1.02 114.38 119.06 3ksq h ARG 75 Ca 0.64 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.52 3ksq h ARG 75 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3ksq h ARG 75 CO 1.67 0.08 -0.38 0.93 -1.07 0.00 0.00 179.97 181.21 3ksq h GLU 76 N 0.13 0.94 -0.33 0.04 4.39 -1.99 -0.11 114.58 117.64 3ksq h GLU 76 Ca 0.44 -0.49 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3ksq h GLU 76 Cb 0.79 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3ksq h GLU 76 CO -0.66 1.15 0.05 0.87 -1.16 0.00 0.00 179.01 179.26 3ksq h LYS 77 N 0.77 0.56 -0.49 2.33 1.79 -1.78 -1.88 116.57 117.87 3ksq h LYS 77 Ca 0.06 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3ksq h LYS 77 Cb 0.97 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 3ksq h LYS 77 CO 0.09 0.64 0.26 0.45 -1.08 0.00 0.00 179.45 179.81 3ksq h HIS 78 N 0.39 0.69 -0.61 -1.35 3.86 -1.13 -2.22 115.15 114.78 3ksq h HIS 78 Ca 0.10 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3ksq h HIS 78 Cb 0.36 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3ksq h HIS 78 CO 0.02 0.53 0.40 0.35 0.86 0.00 0.00 177.93 180.09 3ksq h PHE 79 N 0.65 0.77 -0.04 2.45 3.57 -0.95 -0.68 116.94 122.71 3ksq h PHE 79 Ca 0.17 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3ksq h PHE 79 Cb 0.08 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3ksq h PHE 79 CO -0.01 0.49 0.03 1.25 -2.23 0.00 0.00 178.31 177.83 3ksq h HIS 80 N 0.83 0.05 -0.58 0.41 2.76 -1.10 0.14 115.15 117.66 3ksq h HIS 80 Ca 0.22 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.47 3ksq h HIS 80 Cb -0.09 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 28.79 3ksq h HIS 80 CO -0.03 0.07 0.24 -0.92 -1.30 0.00 0.00 177.93 175.98 3ksq h TYR 81 N 0.02 0.42 -0.01 5.26 3.20 -1.14 -2.66 116.97 122.07 3ksq h TYR 81 Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3ksq h TYR 81 Cb 0.03 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3ksq h TYR 81 CO -0.07 0.14 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.51 3ksq h LEU 82 N 0.44 0.02 -1.27 2.82 3.38 -0.81 -2.10 115.31 117.79 3ksq h LEU 82 Ca 0.29 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.79 3ksq h LEU 82 Cb 0.31 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3ksq h LEU 82 CO -0.27 0.55 0.53 0.07 0.09 0.00 0.00 178.44 179.41 3ksq h LYS 83 N -0.50 0.86 0.33 1.13 5.09 -0.73 -1.36 116.57 121.39 3ksq h LYS 83 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 60.65 60.67 3ksq h LYS 83 Cb 0.54 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 32.68 3ksq h LYS 83 CO 0.00 0.57 -0.16 -0.09 -2.09 0.00 0.00 179.45 177.68 3ksq h ARG 84 N 0.89 -0.43 -0.81 0.07 9.65 -1.52 -3.26 114.38 118.98 3ksq h ARG 84 Ca 0.34 0.03 0.20 0.00 -1.10 0.00 0.00 59.98 59.45 3ksq h ARG 84 Cb 0.20 0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.84 3ksq h ARG 84 CO -0.12 -0.10 0.55 0.78 2.80 0.00 0.00 179.97 183.88 3ksq h GLY 85 N -0.88 0.45 1.91 2.80 0.00 -1.12 0.66 103.07 106.89 3ksq h GLY 85 Ca -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3ksq h GLY 85 CO 0.07 0.01 -0.01 -2.00 0.00 0.00 0.00 176.54 174.61 3ksq h LEU 86 N 0.22 0.11 0.02 3.11 5.85 -1.29 -3.20 115.31 120.13 3ksq h LEU 86 Ca 0.40 -0.01 -0.40 0.00 0.84 0.00 0.00 57.88 58.72 3ksq h LEU 86 Cb 1.23 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 3ksq h LEU 86 CO -0.09 0.15 -2.29 0.54 -0.34 0.00 0.00 178.44 176.41 3ksq n ARG 87 N -4.45 0.63 -3.77 1.25 5.12 0.06 -5.04 116.66 110.47 3ksq n ARG 87 Ca -0.02 0.26 -0.13 0.00 -1.93 0.00 0.00 57.85 56.03 3ksq n ARG 87 Cb 0.14 -1.56 -0.10 0.00 -1.16 0.00 0.00 32.46 29.78 3ksq n ARG 87 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3ksq s GLN 88 N -2.50 0.49 0.07 5.56 0.74 -0.22 -5.15 119.66 118.66 3ksq s GLN 88 Ca -0.34 0.17 0.06 0.00 0.05 0.00 0.00 55.36 55.30 3ksq s GLN 88 Cb 0.10 0.23 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 3ksq s GLN 88 CO 0.58 -0.10 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.56 3ksq s LEU 89 N -0.46 2.27 0.94 3.68 1.43 -1.26 -3.87 118.68 121.41 3ksq s LEU 89 Ca -0.06 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.31 3ksq s LEU 89 Cb -0.04 -0.60 0.16 0.00 0.03 0.00 0.00 46.19 45.74 3ksq s LEU 89 CO 0.02 -0.04 1.11 0.42 0.23 0.00 0.00 176.35 178.09 3ksq s THR 90 N -1.21 2.11 -1.64 5.49 -4.23 -1.26 -4.92 115.64 109.98 3ksq s THR 90 Ca -0.00 0.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.67 3ksq s THR 90 Cb -0.10 -2.66 0.27 0.00 1.34 0.00 0.00 72.50 71.35 3ksq s THR 90 CO 0.03 -0.04 1.27 -0.90 -0.54 0.00 0.00 174.62 174.43 3ksq n ASP 91 N -3.94 0.00 0.27 3.99 3.85 -1.26 -1.78 116.55 117.68 3ksq n ASP 91 Ca 0.06 -0.08 0.15 0.00 -0.71 0.00 0.00 54.79 54.20 3ksq n ASP 91 Cb 0.58 -0.18 0.77 0.00 -1.35 0.00 0.00 41.12 40.94 3ksq n ASP 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ksq h ALA 92 N 2.67 1.17 -0.22 2.12 0.00 -2.06 -2.26 119.26 120.67 3ksq h ALA 92 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ksq h ALA 92 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ksq h ALA 92 CO 0.00 0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.02 3ksq n TYR 93 N -3.44 0.29 0.06 0.00 4.02 -0.74 -4.20 117.16 113.16 3ksq n TYR 93 Ca -0.01 -0.15 0.06 0.00 -0.01 0.00 0.00 57.90 57.78 3ksq n TYR 93 Cb 0.24 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.05 3ksq n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3ksq h GLU 94 N 1.81 0.39 0.00 -0.72 5.08 -1.60 0.20 114.58 119.74 3ksq h GLU 94 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ksq h GLU 94 Cb 0.41 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ksq h GLU 94 CO 0.00 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 3ksq n LEU 96 N -1.52 3.56 0.28 0.00 4.77 0.05 -4.68 117.00 119.45 3ksq n LEU 96 Ca 0.03 -2.99 0.14 0.00 -0.03 0.00 0.00 56.01 53.17 3ksq n LEU 96 Cb 0.16 -0.51 0.79 0.00 -2.33 0.00 0.00 43.42 41.54 3ksq n LEU 96 CO 0.13 0.68 1.02 -0.78 -1.33 0.00 0.00 177.39 177.11 3ksq h ASP 97 N 1.47 0.00 -0.59 -1.43 3.58 -1.35 -1.21 116.42 116.89 3ksq h ASP 97 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 3ksq h ASP 97 Cb 1.33 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.29 3ksq h ASP 97 CO 0.17 0.08 0.16 0.00 -2.88 0.00 0.00 179.24 176.77 3ksq n ALA 98 N -2.27 4.18 -2.32 -0.78 0.00 -1.26 -4.41 120.51 113.66 3ksq n ALA 98 Ca -0.02 -2.40 0.04 0.00 0.00 0.00 0.00 53.44 51.06 3ksq n ALA 98 Cb 0.20 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.61 3ksq n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ksq n SER 99 N -0.27 0.96 -0.30 0.00 7.64 -0.46 -4.11 113.62 117.08 3ksq n SER 99 Ca 0.35 -2.21 -0.02 0.00 1.01 0.00 0.00 58.87 58.00 3ksq n SER 99 Cb 1.24 -0.31 0.14 0.00 -1.01 0.00 0.00 64.21 64.27 3ksq n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3ksq h ARG 100 N 0.85 1.17 0.00 1.43 3.08 -0.82 -1.48 114.38 118.60 3ksq h ARG 100 Ca -0.17 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 3ksq h ARG 100 Cb 1.73 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 3ksq h ARG 100 CO 0.07 0.83 -0.14 -1.35 -1.07 0.00 0.00 179.97 178.31 3ksq h PRO 101 N 1.18 0.00 -0.49 0.04 0.11 -1.84 -0.96 132.00 130.04 3ksq h PRO 101 Ca 0.31 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 3ksq h PRO 101 Cb -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3ksq h PRO 101 CO -0.06 0.14 0.20 -1.49 -0.21 0.00 0.00 178.00 176.59 3ksq h TRP 102 N 0.00 0.75 -0.74 0.65 -0.00 -1.60 -0.70 115.95 114.31 3ksq h TRP 102 Ca -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.89 58.80 3ksq h TRP 102 Cb 0.27 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.17 3ksq h TRP 102 CO 0.00 0.63 0.34 -0.07 -0.00 0.00 0.00 178.44 179.34 3ksq h LEU 103 N 0.66 0.97 0.24 -4.49 3.38 -0.84 0.21 115.31 115.44 3ksq h LEU 103 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ksq h LEU 103 Cb 0.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ksq h LEU 103 CO -0.01 0.83 -0.14 0.00 0.09 0.00 0.00 178.44 179.20 3ksq h TYR 105 N -0.37 -0.49 -0.40 0.00 3.20 -0.77 -0.36 116.97 117.77 3ksq h TYR 105 Ca -0.03 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.91 3ksq h TYR 105 Cb 0.30 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3ksq h TYR 105 CO -0.08 -0.28 0.09 -1.49 -1.64 0.00 0.00 178.16 174.76 3ksq h TRP 106 N -0.41 0.15 0.36 -3.82 6.55 -0.52 -0.81 115.95 117.45 3ksq h TRP 106 Ca -0.00 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3ksq h TRP 106 Cb 0.38 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.68 3ksq h TRP 106 CO -0.14 0.03 -0.17 0.82 -1.05 0.00 0.00 178.44 177.92 3ksq h ILE 107 N 0.23 0.54 -0.94 1.49 2.04 -1.32 -1.81 117.51 117.73 3ksq h ILE 107 Ca 0.19 -0.64 0.13 0.00 1.00 0.00 0.00 64.86 65.55 3ksq h ILE 107 Cb 0.22 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 3ksq h ILE 107 CO -0.24 0.10 0.60 -0.07 0.00 0.00 0.00 178.15 178.54 3ksq h LEU 108 N -0.89 0.78 -0.23 1.44 4.07 -1.05 -0.22 115.31 119.20 3ksq h LEU 108 Ca -0.05 0.05 -0.21 0.00 0.08 0.00 0.00 57.88 57.74 3ksq h LEU 108 Cb 0.53 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.17 3ksq h LEU 108 CO 0.08 0.40 -0.80 -0.74 -1.08 0.00 0.00 178.44 176.30 3ksq h HIS 109 N 0.83 0.85 -0.77 1.13 2.76 -1.18 -1.46 115.15 117.32 3ksq h HIS 109 Ca 0.47 -0.39 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3ksq h HIS 109 Cb 0.62 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 3ksq h HIS 109 CO -0.00 1.20 0.28 0.77 -1.30 0.00 0.00 177.93 178.88 3ksq h SER 110 N 0.41 1.08 -0.02 3.26 0.02 -0.46 -0.66 113.55 117.19 3ksq h SER 110 Ca -0.05 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3ksq h SER 110 Cb 1.41 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3ksq h SER 110 CO 0.15 0.98 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.54 3ksq h LEU 111 N 1.13 0.39 -0.30 5.07 3.38 -0.97 -2.02 115.31 121.98 3ksq h LEU 111 Ca 0.25 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3ksq h LEU 111 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ksq h LEU 111 CO -0.02 0.61 -0.56 -0.08 0.09 0.00 0.00 178.44 178.49 3ksq h GLU 112 N 0.36 0.87 -0.18 1.13 4.81 -0.94 0.12 114.58 120.74 3ksq h GLU 112 Ca 0.06 -0.55 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 3ksq h GLU 112 Cb 0.57 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3ksq h GLU 112 CO 0.04 1.19 -0.31 -0.07 -0.73 0.00 0.00 179.01 179.13 3ksq h LEU 113 N 0.66 0.37 -0.78 1.64 3.38 -0.84 -2.50 115.31 117.25 3ksq h LEU 113 Ca 0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ksq h LEU 113 Cb 1.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ksq h LEU 113 CO 0.12 0.67 0.00 0.18 0.09 0.00 0.00 178.44 179.50 3ksq n LEU 114 N -4.09 1.13 -2.60 1.67 4.77 -0.78 -1.07 117.00 116.02 3ksq n LEU 114 Ca -0.01 -0.56 -0.20 0.00 -0.03 0.00 0.00 56.01 55.21 3ksq n LEU 114 Cb 0.43 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3ksq n LEU 114 CO 0.42 0.28 -0.18 -0.67 -1.33 0.00 0.00 177.39 175.91 3ksq n ASP 115 N 0.12 -5.52 -4.72 -1.43 2.03 -0.94 -4.98 116.55 101.11 3ksq n ASP 115 Ca 0.07 -0.06 -0.38 0.00 0.52 0.00 0.00 54.79 54.94 3ksq n ASP 115 Cb 0.18 -4.57 -0.06 0.00 -0.72 0.00 0.00 41.12 35.95 3ksq n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3ksq s GLU 116 N -5.24 4.32 0.44 -0.67 0.41 0.40 -5.02 118.70 113.33 3ksq s GLU 116 Ca 0.09 0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 54.88 3ksq s GLU 116 Cb -0.04 -3.44 -0.09 0.00 -1.78 0.00 0.00 34.13 28.78 3ksq s GLU 116 CO 0.11 0.15 0.89 -1.25 -0.49 0.00 0.00 175.26 174.67 3ksq s PRO 117 N 0.66 3.99 -0.39 0.39 0.04 -1.26 -4.40 135.00 134.04 3ksq s PRO 117 Ca 0.24 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 61.95 3ksq s PRO 117 Cb -0.15 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.15 3ksq s PRO 117 CO 0.09 -0.09 0.45 0.42 0.04 0.00 0.00 177.00 177.92 3ksq s ILE 118 N -2.35 5.07 0.33 0.56 1.01 -1.26 -5.05 121.20 119.51 3ksq s ILE 118 Ca 0.57 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 3ksq s ILE 118 Cb -0.10 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.27 3ksq s ILE 118 CO 0.24 -0.31 1.47 -2.65 0.00 0.00 0.00 174.94 173.70 3ksq n PRO 119 N 5.63 2.51 -0.10 2.79 -0.02 -1.26 -4.73 135.00 139.81 3ksq n PRO 119 Ca -0.07 0.88 0.26 0.00 -2.02 0.00 0.00 63.50 62.56 3ksq n PRO 119 Cb 0.48 -2.59 0.72 0.00 -0.02 0.00 0.00 33.50 32.09 3ksq n PRO 119 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ksq h GLN 120 N 3.58 0.00 -0.25 -0.52 4.20 -1.99 0.61 115.11 120.73 3ksq h GLN 120 Ca -0.48 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.13 3ksq h GLN 120 Cb 1.25 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 3ksq h GLN 120 CO 0.70 0.00 -0.25 0.97 -0.67 0.00 0.00 178.83 179.58 3ksq h ILE 121 N 0.00 1.31 -0.18 2.54 6.09 -1.99 -1.96 117.51 123.33 3ksq h ILE 121 Ca 0.36 -1.41 -0.01 0.00 -1.37 0.00 0.00 64.86 62.43 3ksq h ILE 121 Cb 1.56 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 40.49 3ksq h ILE 121 CO -0.00 0.44 0.06 0.58 -3.07 0.00 0.00 178.15 176.16 3ksq h VAL 122 N 0.33 1.18 -0.55 2.19 2.07 -1.27 -0.67 116.25 119.53 3ksq h VAL 122 Ca 0.04 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.12 3ksq h VAL 122 Cb 0.81 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 3ksq h VAL 122 CO 0.06 0.17 0.08 0.00 0.02 0.00 0.00 177.57 177.90 3ksq h ALA 123 N 0.89 0.61 -0.47 1.67 0.00 -1.23 0.51 119.26 121.23 3ksq h ALA 123 Ca 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ksq h ALA 123 Cb 0.21 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ksq h ALA 123 CO -0.00 -0.34 0.26 1.15 0.00 0.00 0.00 179.25 180.32 3ksq h THR 124 N 0.20 1.17 -0.32 0.00 2.02 -1.20 -1.62 112.91 113.16 3ksq h THR 124 Ca 0.29 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 3ksq h THR 124 Cb 0.42 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3ksq h THR 124 CO -0.40 0.17 -0.05 0.44 0.37 0.00 0.00 175.52 176.05 3ksq h ASP 125 N 0.62 0.49 -0.12 4.18 3.32 0.18 -1.43 116.42 123.66 3ksq h ASP 125 Ca 0.17 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3ksq h ASP 125 Cb 0.05 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3ksq h ASP 125 CO -0.03 0.59 -0.07 0.58 -1.72 0.00 0.00 179.24 178.60 3ksq h VAL 126 N 0.48 1.32 -0.26 -1.35 2.07 -0.73 -1.97 116.25 115.82 3ksq h VAL 126 Ca 0.10 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3ksq h VAL 126 Cb 0.40 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 3ksq h VAL 126 CO 0.02 0.32 -0.16 0.00 0.02 0.00 0.00 177.57 177.77 3ksq h GLN 128 N -0.14 1.23 -0.39 0.00 4.20 -1.26 -1.00 115.11 117.75 3ksq h GLN 128 Ca 0.14 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3ksq h GLN 128 Cb 0.35 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3ksq h GLN 128 CO -0.34 0.93 -0.02 0.35 -0.67 0.00 0.00 178.83 179.08 3ksq h PHE 129 N 1.22 0.76 0.00 2.96 3.57 -0.72 -2.82 116.94 121.92 3ksq h PHE 129 Ca 0.30 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3ksq h PHE 129 Cb 0.10 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3ksq h PHE 129 CO 0.01 0.79 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.58 3ksq h LEU 130 N 0.51 0.00 -0.67 0.59 3.38 -0.74 -1.81 115.31 116.57 3ksq h LEU 130 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3ksq h LEU 130 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3ksq h LEU 130 CO 0.02 0.24 0.30 -0.33 0.09 0.00 0.00 178.44 178.77 3ksq h GLU 131 N 0.00 0.98 -0.01 1.13 5.08 -1.01 -1.23 114.58 119.51 3ksq h GLU 131 Ca -0.00 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3ksq h GLU 131 Cb 0.46 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ksq h GLU 131 CO 0.03 0.80 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.42 3ksq h LEU 132 N 0.94 0.02 -0.35 1.33 3.38 -1.10 -2.51 115.31 117.03 3ksq h LEU 132 Ca 0.23 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3ksq h LEU 132 Cb 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ksq h LEU 132 CO -0.02 0.36 -0.57 0.00 0.09 0.00 0.00 178.44 178.30 3ksq s GLN 134 N -3.16 4.22 0.24 0.00 0.74 -0.51 -0.77 119.66 120.42 3ksq s GLN 134 Ca 0.02 2.35 -0.27 0.00 0.05 0.00 0.00 55.36 57.50 3ksq s GLN 134 Cb 0.09 -3.15 -0.09 0.00 1.10 0.00 0.00 33.01 30.97 3ksq s GLN 134 CO 0.74 -0.57 0.89 0.45 -0.55 0.00 0.00 175.29 176.25 3ksq s SER 135 N 1.00 7.48 0.58 6.67 0.15 -0.17 -4.90 113.70 124.50 3ksq s SER 135 Ca 0.68 1.81 0.38 0.00 0.70 0.00 0.00 55.95 59.53 3ksq s SER 135 Cb -0.43 -2.56 1.95 0.00 -1.71 0.00 0.00 66.02 63.26 3ksq s SER 135 CO 0.34 0.11 2.16 1.55 1.20 0.00 0.00 173.24 178.60 3ksq h PRO 136 N 3.93 0.00 -0.18 5.44 0.13 -1.95 -1.69 132.00 137.68 3ksq h PRO 136 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3ksq h PRO 136 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ksq h PRO 136 CO 0.67 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 3ksq n ASP 137 N -2.96 1.93 0.00 1.44 8.00 -1.26 -5.00 116.55 118.71 3ksq n ASP 137 Ca -0.02 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.74 3ksq n ASP 137 Cb 0.14 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3ksq n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ksq n GLY 138 N 1.19 2.30 0.25 0.44 0.00 -0.64 -4.17 105.19 104.57 3ksq n GLY 138 Ca 0.17 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.43 3ksq n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksq n GLY 139 N 1.75 -1.62 3.34 -0.02 0.00 -1.26 -4.48 105.19 102.90 3ksq n GLY 139 Ca 0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 3ksq n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksq s PHE 140 N -1.57 2.16 0.57 1.61 0.40 -1.26 -1.00 117.98 118.89 3ksq s PHE 140 Ca 0.00 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 3ksq s PHE 140 Cb 0.00 -1.22 0.05 0.00 0.51 0.00 0.00 43.02 42.36 3ksq s PHE 140 CO 0.00 0.23 0.80 0.20 0.70 0.00 0.00 175.22 177.15 3ksq s GLY 141 N -1.72 1.82 0.00 4.36 0.00 0.05 -1.27 107.32 110.56 3ksq s GLY 141 Ca 0.11 -1.47 0.15 0.00 0.00 0.00 0.00 44.72 43.51 3ksq s GLY 141 CO 0.04 -1.13 1.45 0.61 0.00 0.00 0.00 173.10 174.07 3ksq n GLY 142 N -2.38 -0.84 0.00 0.20 0.00 -1.26 -4.71 105.19 96.20 3ksq n GLY 142 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ksq n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksq n GLY 143 N 0.53 0.50 3.69 -0.02 0.00 -1.26 -0.52 105.19 108.10 3ksq n GLY 143 Ca 0.11 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3ksq n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksq n PRO 144 N -0.18 2.80 -0.98 1.61 -0.02 -1.26 -1.61 135.00 135.35 3ksq n PRO 144 Ca 0.00 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3ksq n PRO 144 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 3ksq n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksq n GLY 145 N 4.23 0.96 3.84 -1.23 0.00 -1.23 -4.99 105.19 106.77 3ksq n GLY 145 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3ksq n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ksq s GLN 146 N -0.02 3.97 0.64 1.61 -0.21 -0.63 -5.03 119.66 120.00 3ksq s GLN 146 Ca 0.00 0.94 -0.17 0.00 0.02 0.00 0.00 55.36 56.14 3ksq s GLN 146 Cb 0.00 -2.16 -0.01 0.00 1.00 0.00 0.00 33.01 31.84 3ksq s GLN 146 CO 0.00 -0.23 1.22 0.71 -2.12 0.00 0.00 175.29 174.87 3ksq s TYR 147 N -2.56 2.25 0.65 0.91 4.12 -1.26 -4.33 117.35 117.13 3ksq s TYR 147 Ca 0.59 1.54 -0.16 0.00 0.02 0.00 0.00 57.07 59.05 3ksq s TYR 147 Cb -0.10 -3.50 -0.00 0.00 -1.52 0.00 0.00 41.96 36.84 3ksq s TYR 147 CO 0.29 -2.42 1.14 -1.25 0.02 0.00 0.00 175.55 173.33 3ksq s PRO 148 N -3.55 2.76 -0.08 -1.71 0.04 -1.26 -4.03 135.00 127.17 3ksq s PRO 148 Ca 0.77 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 3ksq s PRO 148 Cb -0.31 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.34 3ksq s PRO 148 CO 0.38 -1.31 0.45 -1.58 0.04 0.00 0.00 177.00 174.98 3ksq s HIS 149 N -2.11 -0.41 0.37 0.56 2.46 -0.39 -4.70 115.29 111.06 3ksq s HIS 149 Ca 0.70 0.82 0.07 0.00 0.47 0.00 0.00 55.06 57.13 3ksq s HIS 149 Cb -0.24 0.20 0.73 0.00 -0.13 0.00 0.00 32.58 33.14 3ksq s HIS 149 CO 0.39 -0.39 1.91 -0.07 -2.47 0.00 0.00 174.74 174.12 3ksq h LEU 150 N 4.23 0.34 0.10 8.88 3.38 -0.25 -2.37 115.31 129.62 3ksq h LEU 150 Ca -0.28 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3ksq h LEU 150 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ksq h LEU 150 CO 0.33 0.44 -0.05 0.00 0.09 0.00 0.00 178.44 179.25 3ksq h ALA 151 N 1.60 -0.13 0.00 1.53 0.00 -1.92 0.22 119.26 120.57 3ksq h ALA 151 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3ksq h ALA 151 Cb 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ksq h ALA 151 CO 0.01 -0.37 -0.13 -1.00 0.00 0.00 0.00 179.25 177.76 3ksq h PRO 152 N -0.54 0.00 -0.24 0.00 0.13 -1.82 -1.70 132.00 127.84 3ksq h PRO 152 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 3ksq h PRO 152 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 3ksq h PRO 152 CO 0.02 0.13 0.04 1.15 -0.23 0.00 0.00 178.00 179.10 3ksq h THR 153 N 0.00 1.23 -0.23 1.56 2.02 -1.25 0.20 112.91 116.45 3ksq h THR 153 Ca -0.00 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 3ksq h THR 153 Cb 0.44 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3ksq h THR 153 CO 0.02 0.24 0.12 0.22 0.37 0.00 0.00 175.52 176.49 3ksq h TYR 154 N 0.20 0.32 -0.56 3.16 3.20 -0.43 -1.68 116.97 121.18 3ksq h TYR 154 Ca 0.07 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3ksq h TYR 154 Cb 0.33 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3ksq h TYR 154 CO 0.02 0.29 0.28 0.00 -1.64 0.00 0.00 178.16 177.11 3ksq h ALA 155 N 1.00 0.72 -0.35 1.82 0.00 -1.27 -1.34 119.26 119.84 3ksq h ALA 155 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3ksq h ALA 155 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ksq h ALA 155 CO -0.01 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.57 3ksq h ALA 156 N 1.11 0.47 -0.59 0.00 0.00 -0.43 -0.69 119.26 119.12 3ksq h ALA 156 Ca 0.19 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ksq h ALA 156 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ksq h ALA 156 CO -0.03 0.18 0.19 0.28 0.00 0.00 0.00 179.25 179.88 3ksq h VAL 157 N 0.42 1.24 -0.48 0.00 2.07 -1.27 0.05 116.25 118.27 3ksq h VAL 157 Ca 0.11 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3ksq h VAL 157 Cb 0.37 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ksq h VAL 157 CO 0.01 0.31 0.22 0.78 0.02 0.00 0.00 177.57 178.91 3ksq h ASN 158 N 0.84 0.64 -0.24 0.57 4.21 -1.15 -0.80 115.58 119.65 3ksq h ASN 158 Ca 0.19 -0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.55 3ksq h ASN 158 Cb 0.27 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 3ksq h ASN 158 CO -0.01 0.60 0.08 0.00 -1.29 0.00 0.00 177.43 176.81 3ksq h ALA 159 N 1.07 0.31 -0.53 -0.83 0.00 -0.87 -1.01 119.26 117.39 3ksq h ALA 159 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ksq h ALA 159 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ksq h ALA 159 CO -0.02 -0.07 0.33 -0.07 0.00 0.00 0.00 179.25 179.42 3ksq h LEU 160 N 0.22 0.63 -0.69 0.00 3.38 -0.85 -1.78 115.31 116.22 3ksq h LEU 160 Ca 0.08 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3ksq h LEU 160 Cb 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ksq h LEU 160 CO -0.00 0.47 -0.65 0.00 0.09 0.00 0.00 178.44 178.35 3ksq h ILE 162 N 0.03 1.24 0.48 0.00 2.04 -0.46 -3.07 117.51 117.77 3ksq h ILE 162 Ca -0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3ksq h ILE 162 Cb 1.15 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3ksq h ILE 162 CO 0.09 0.26 -0.23 0.40 0.00 0.00 0.00 178.15 178.67 3ksq h ILE 163 N 0.22 0.53 -1.77 -0.67 2.04 -1.25 -3.47 117.51 113.13 3ksq h ILE 163 Ca 0.07 -0.04 -0.30 0.00 1.00 0.00 0.00 64.86 65.59 3ksq h ILE 163 Cb 0.37 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3ksq h ILE 163 CO 0.01 0.01 -0.36 0.61 0.00 0.00 0.00 178.15 178.42 3ksq n GLY 164 N -1.29 0.20 3.97 5.37 0.00 -0.13 -5.03 105.19 108.27 3ksq n GLY 164 Ca -0.12 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3ksq n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ksq s THR 165 N -2.70 2.93 0.23 2.61 -4.23 -1.26 -4.94 115.64 108.29 3ksq s THR 165 Ca 0.00 -0.67 -0.05 0.00 -1.18 0.00 0.00 61.69 59.79 3ksq s THR 165 Cb 0.00 -3.08 0.11 0.00 1.34 0.00 0.00 72.50 70.87 3ksq s THR 165 CO 0.00 -0.06 1.74 -0.33 -0.54 0.00 0.00 174.62 175.43 3ksq h GLU 166 N 0.19 0.94 -0.54 3.99 4.39 -1.98 -1.52 114.58 120.05 3ksq h GLU 166 Ca -0.43 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.05 3ksq h GLU 166 Cb 1.29 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 3ksq h GLU 166 CO 0.52 0.89 0.34 1.49 -1.16 0.00 0.00 179.01 181.10 3ksq h GLU 167 N 0.89 0.68 -0.19 2.33 4.81 -1.98 -0.82 114.58 120.29 3ksq h GLU 167 Ca 0.18 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3ksq h GLU 167 Cb 0.42 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3ksq h GLU 167 CO 0.01 0.45 0.05 0.00 -0.73 0.00 0.00 179.01 178.79 3ksq h ALA 168 N 1.21 0.25 -0.88 2.92 0.00 -1.78 -2.91 119.26 118.07 3ksq h ALA 168 Ca 0.20 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ksq h ALA 168 Cb -0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3ksq h ALA 168 CO -0.06 -0.12 0.56 1.88 0.00 0.00 0.00 179.25 181.51 3ksq h TYR 169 N 0.12 1.04 0.00 0.00 0.99 -1.14 -2.63 116.97 115.35 3ksq h TYR 169 Ca 0.06 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3ksq h TYR 169 Cb 0.25 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 37.64 3ksq h TYR 169 CO 0.01 0.56 0.00 -0.91 -0.00 0.00 0.00 178.16 177.82 3ksq h ASN 170 N 1.05 0.00 -0.44 3.88 2.35 -1.06 -3.03 115.58 118.34 3ksq h ASN 170 Ca 0.37 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.14 3ksq h ASN 170 Cb 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3ksq h ASN 170 CO -0.15 0.00 0.26 0.58 -1.65 0.00 0.00 177.43 176.47 3ksq h VAL 171 N 0.00 1.04 -2.46 2.81 2.07 -1.27 -3.42 116.25 115.02 3ksq h VAL 171 Ca 0.00 -0.18 -0.55 0.00 0.82 0.00 0.00 66.70 66.79 3ksq h VAL 171 Cb 0.44 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3ksq h VAL 171 CO 0.00 0.09 1.21 -0.63 0.02 0.00 0.00 177.57 178.27 3ksq s ILE 172 N -6.15 3.31 -0.86 4.57 1.01 -1.15 -4.94 121.20 116.99 3ksq s ILE 172 Ca -0.13 0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 3ksq s ILE 172 Cb 0.12 -3.28 0.08 0.00 0.01 0.00 0.00 42.46 39.40 3ksq s ILE 172 CO 0.73 -0.08 1.18 0.21 0.00 0.00 0.00 174.94 176.98 3ksq s ASN 173 N 4.70 6.43 0.30 3.58 3.84 -1.26 -4.91 114.94 127.62 3ksq s ASN 173 Ca 0.83 -1.46 -0.02 0.00 0.21 0.00 0.00 52.86 52.42 3ksq s ASN 173 Cb -0.35 -2.46 0.44 0.00 -0.55 0.00 0.00 41.25 38.33 3ksq s ASN 173 CO 0.35 -1.35 1.97 0.03 -2.79 0.00 0.00 177.10 175.30 3ksq h ARG 174 N 9.39 1.08 -0.11 0.43 3.08 -1.96 0.13 114.38 126.43 3ksq h ARG 174 Ca 0.01 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3ksq h ARG 174 Cb 1.04 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3ksq h ARG 174 CO 1.23 0.72 -0.13 0.93 -1.07 0.00 0.00 179.97 181.65 3ksq h GLU 175 N 1.11 0.28 -0.03 0.04 3.07 -1.99 -2.19 114.58 114.87 3ksq h GLU 175 Ca 0.30 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 58.90 3ksq h GLU 175 Cb -0.12 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3ksq h GLU 175 CO -0.06 0.70 -0.46 0.87 -1.40 0.00 0.00 179.01 178.66 3ksq h LYS 176 N -0.13 0.06 -0.40 2.33 1.79 -1.88 -2.12 116.57 116.21 3ksq h LYS 176 Ca 0.02 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3ksq h LYS 176 Cb 0.66 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 3ksq h LYS 176 CO 0.03 0.51 0.10 1.25 -1.08 0.00 0.00 179.45 180.26 3ksq h LEU 177 N 0.05 0.60 -0.33 2.94 5.85 -0.89 0.11 115.31 123.64 3ksq h LEU 177 Ca 0.00 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3ksq h LEU 177 Cb 0.84 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3ksq h LEU 177 CO 0.06 0.68 0.12 0.25 -0.34 0.00 0.00 178.44 179.21 3ksq h LEU 178 N 0.50 0.47 -0.52 2.25 5.85 -1.29 -0.23 115.31 122.34 3ksq h LEU 178 Ca 0.13 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3ksq h LEU 178 Cb 0.31 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3ksq h LEU 178 CO 0.00 0.52 0.28 1.56 -0.34 0.00 0.00 178.44 180.46 3ksq h GLN 179 N 0.39 0.52 -0.24 1.25 4.20 -1.25 -0.79 115.11 119.19 3ksq h GLN 179 Ca 0.11 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3ksq h GLN 179 Cb 0.21 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3ksq h GLN 179 CO -0.01 0.35 0.11 -0.92 -0.67 0.00 0.00 178.83 177.68 3ksq h TYR 180 N 0.54 0.20 -0.65 2.96 3.20 -0.38 -1.28 116.97 121.56 3ksq h TYR 180 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3ksq h TYR 180 Cb 0.11 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3ksq h TYR 180 CO -0.09 0.10 0.41 -0.07 -1.64 0.00 0.00 178.16 176.88 3ksq h LEU 181 N 0.23 0.76 -1.41 2.82 3.38 -0.47 -1.92 115.31 118.71 3ksq h LEU 181 Ca 0.10 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ksq h LEU 181 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3ksq h LEU 181 CO -0.08 0.57 0.42 1.88 0.09 0.00 0.00 178.44 181.31 3ksq h TYR 182 N 0.88 0.75 0.00 1.13 0.99 -1.02 -1.83 116.97 117.87 3ksq h TYR 182 Ca 0.24 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 3ksq h TYR 182 Cb -0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 37.41 3ksq h TYR 182 CO -0.02 0.45 -0.06 0.66 -0.00 0.00 0.00 178.16 179.19 3ksq h SER 183 N 0.79 0.00 0.35 3.88 4.64 -0.41 -2.96 113.55 119.82 3ksq h SER 183 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3ksq h SER 183 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3ksq h SER 183 CO -0.06 0.06 -1.61 0.18 -0.87 0.00 0.00 176.83 174.52 3ksq n LEU 184 N -3.24 0.33 -4.71 5.97 4.77 -0.74 -4.97 117.00 114.42 3ksq n LEU 184 Ca -0.01 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 3ksq n LEU 184 Cb 0.27 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3ksq n LEU 184 CO 0.27 -0.06 1.38 1.17 -1.33 0.00 0.00 177.39 178.83 3ksq n LYS 185 N -2.37 2.73 -4.03 3.23 3.00 -0.92 -1.11 118.16 118.70 3ksq n LYS 185 Ca -0.02 0.99 -0.27 0.00 -0.00 0.00 0.00 58.31 59.01 3ksq n LYS 185 Cb 0.55 -2.84 -0.05 0.00 0.00 0.00 0.00 35.03 32.70 3ksq n LYS 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3ksq s GLN 186 N 1.43 3.11 0.54 1.64 -1.52 0.16 -4.94 119.66 120.09 3ksq s GLN 186 Ca 0.77 -0.75 0.23 0.00 -1.95 0.00 0.00 55.36 53.66 3ksq s GLN 186 Cb -0.51 -2.78 1.51 0.00 -0.22 0.00 0.00 33.01 31.00 3ksq s GLN 186 CO 0.34 0.51 2.18 -1.35 -0.25 0.00 0.00 175.29 176.71 3ksq h PRO 187 N 2.40 0.00 0.00 2.91 0.11 -1.96 -2.34 132.00 133.13 3ksq h PRO 187 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ksq h PRO 187 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ksq h PRO 187 CO 0.66 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3ksq n ASP 188 N -4.15 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.89 3ksq n ASP 188 Ca -0.03 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3ksq n ASP 188 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3ksq n ASP 188 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ksq n GLY 189 N 0.76 1.05 3.93 6.12 0.00 -0.88 -4.50 105.19 111.68 3ksq n GLY 189 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3ksq n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ksq s SER 190 N -2.10 3.89 0.02 1.61 1.04 -1.26 -3.59 113.70 113.31 3ksq s SER 190 Ca 0.00 0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.81 3ksq s SER 190 Cb 0.00 -0.62 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 3ksq s SER 190 CO 0.00 -2.24 -0.15 -0.36 0.98 0.00 0.00 173.24 171.48 3ksq s PHE 191 N -3.61 1.30 0.55 5.02 0.40 -1.26 -0.66 117.98 119.72 3ksq s PHE 191 Ca 0.68 -0.32 -0.17 0.00 -0.60 0.00 0.00 56.93 56.52 3ksq s PHE 191 Cb -0.07 -0.80 -0.06 0.00 0.51 0.00 0.00 43.02 42.61 3ksq s PHE 191 CO 0.49 0.02 1.03 -0.51 0.70 0.00 0.00 175.22 176.96 3ksq s LEU 192 N -0.88 3.62 0.26 -0.37 1.43 -0.27 -4.22 118.68 118.24 3ksq s LEU 192 Ca 0.03 1.78 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 3ksq s LEU 192 Cb -0.07 -4.53 0.33 0.00 0.03 0.00 0.00 46.19 41.95 3ksq s LEU 192 CO 0.01 -0.92 1.62 0.24 0.23 0.00 0.00 176.35 177.53 3ksq h MET 193 N 0.84 0.28 -2.78 1.70 2.86 -1.02 -3.46 114.93 113.34 3ksq h MET 193 Ca -0.47 -0.16 0.09 0.00 -2.06 0.00 0.00 59.70 57.10 3ksq h MET 193 Cb 1.21 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.81 3ksq h MET 193 CO 0.59 0.72 0.31 -3.38 1.06 0.00 0.00 176.91 176.21 3ksq s HIS 194 N -3.98 -0.24 0.21 -0.22 0.00 -1.26 0.49 115.29 110.29 3ksq s HIS 194 Ca -0.05 -0.13 -0.32 0.00 -3.00 0.00 0.00 55.06 51.57 3ksq s HIS 194 Cb 0.13 0.66 -0.12 0.00 -4.00 0.00 0.00 32.58 29.25 3ksq s HIS 194 CO 0.79 -1.03 1.69 0.08 -1.00 0.00 0.00 174.74 175.27 3ksq s VAL 195 N -3.67 2.13 -1.58 -5.38 1.01 -1.26 -0.98 120.40 110.67 3ksq s VAL 195 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3ksq s VAL 195 Cb -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3ksq s VAL 195 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3ksq n GLY 196 N 3.82 1.26 0.00 4.51 0.00 -1.26 -4.97 105.19 108.54 3ksq n GLY 196 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ksq n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksq n GLY 197 N -1.07 2.73 3.90 -0.02 0.00 -0.15 -5.13 105.19 105.44 3ksq n GLY 197 Ca -0.16 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 3ksq n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ksq s GLU 198 N 0.15 3.61 -0.16 1.61 1.03 -1.26 -4.79 118.70 118.89 3ksq s GLU 198 Ca 0.00 -0.11 -0.05 0.00 0.03 0.00 0.00 54.97 54.84 3ksq s GLU 198 Cb 0.00 -2.81 -0.03 0.00 -0.80 0.00 0.00 34.13 30.49 3ksq s GLU 198 CO 0.00 0.41 -0.00 0.08 -1.33 0.00 0.00 175.26 174.42 3ksq s VAL 199 N -1.77 4.22 0.19 1.83 1.01 -1.26 -0.39 120.40 124.24 3ksq s VAL 199 Ca 0.41 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 3ksq s VAL 199 Cb -0.12 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.45 3ksq s VAL 199 CO 0.26 0.49 0.80 1.51 0.00 0.00 0.00 175.10 178.16 3ksq s ASP 200 N 0.24 -0.29 0.54 3.32 1.47 -1.26 -4.87 116.67 115.82 3ksq s ASP 200 Ca -0.00 -0.39 0.25 0.00 1.18 0.00 0.00 52.55 53.59 3ksq s ASP 200 Cb -0.13 0.60 1.41 0.00 -0.34 0.00 0.00 42.92 44.45 3ksq s ASP 200 CO 0.02 -1.07 2.01 0.58 0.68 0.00 0.00 175.17 177.38 3ksq h VAL 201 N 2.00 0.72 -0.99 2.11 2.07 -1.08 -2.43 116.25 118.65 3ksq h VAL 201 Ca -0.23 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.40 3ksq h VAL 201 Cb 1.25 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 3ksq h VAL 201 CO 0.27 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.51 3ksq h ARG 202 N 0.00 0.98 -0.79 1.57 3.08 -1.90 -2.63 114.38 114.68 3ksq h ARG 202 Ca 0.23 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3ksq h ARG 202 Cb 0.93 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 3ksq h ARG 202 CO -0.00 0.65 0.43 0.66 -1.07 0.00 0.00 179.97 180.63 3ksq h SER 203 N 1.01 0.99 -0.47 7.04 4.64 -1.74 0.13 113.55 125.15 3ksq h SER 203 Ca 0.48 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 3ksq h SER 203 Cb 0.42 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3ksq h SER 203 CO -0.25 0.81 0.27 0.00 -0.87 0.00 0.00 176.83 176.79 3ksq h ALA 204 N 1.23 0.61 -0.15 5.18 0.00 -1.62 -0.29 119.26 124.22 3ksq h ALA 204 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ksq h ALA 204 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ksq h ALA 204 CO -0.04 0.12 0.03 -0.92 0.00 0.00 0.00 179.25 178.43 3ksq h TYR 205 N 0.63 0.26 -0.78 0.00 3.20 -1.24 -0.53 116.97 118.50 3ksq h TYR 205 Ca 0.17 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3ksq h TYR 205 Cb 0.03 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 3ksq h TYR 205 CO -0.02 0.41 0.50 0.00 -1.64 0.00 0.00 178.16 177.40 3ksq h ALA 207 N 1.32 0.22 -0.68 0.00 0.00 -0.95 -2.61 119.26 116.55 3ksq h ALA 207 Ca 0.31 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ksq h ALA 207 Cb -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ksq h ALA 207 CO -0.11 0.03 0.25 0.00 0.00 0.00 0.00 179.25 179.42 3ksq h ALA 208 N 0.67 1.15 0.38 0.00 0.00 -0.96 -0.59 119.26 119.91 3ksq h ALA 208 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ksq h ALA 208 Cb 0.56 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ksq h ALA 208 CO 0.02 0.60 -0.18 1.03 0.00 0.00 0.00 179.25 180.73 3ksq h SER 209 N 1.00 -0.43 -0.43 0.00 0.87 -1.15 -1.32 113.55 112.10 3ksq h SER 209 Ca 0.23 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 3ksq h SER 209 Cb 0.23 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3ksq h SER 209 CO -0.02 -0.10 0.01 -0.37 -0.53 0.00 0.00 176.83 175.83 3ksq h VAL 210 N -0.78 1.24 -0.37 2.23 -1.51 -1.40 -2.33 116.25 113.33 3ksq h VAL 210 Ca -0.05 -1.00 -0.15 0.00 -1.23 0.00 0.00 66.70 64.27 3ksq h VAL 210 Cb 0.52 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 3ksq h VAL 210 CO 0.08 0.36 -0.35 0.00 -1.23 0.00 0.00 177.57 176.43 3ksq h ALA 211 N 1.24 0.67 -0.10 5.19 0.00 -1.13 -2.13 119.26 123.00 3ksq h ALA 211 Ca 0.15 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 3ksq h ALA 211 Cb 0.45 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ksq h ALA 211 CO 0.02 0.67 -0.44 0.66 0.00 0.00 0.00 179.25 180.16 3ksq h SER 212 N 0.72 0.55 -0.85 0.00 4.64 -1.20 -1.49 113.55 115.91 3ksq h SER 212 Ca 0.07 -0.64 0.02 0.00 -0.47 0.00 0.00 61.79 60.77 3ksq h SER 212 Cb 0.92 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 3ksq h SER 212 CO 0.08 1.10 0.56 -0.07 -0.87 0.00 0.00 176.83 177.63 3ksq h LEU 213 N 0.04 0.95 -1.22 5.97 3.38 -1.46 -2.89 115.31 120.09 3ksq h LEU 213 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ksq h LEU 213 Cb 1.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3ksq h LEU 213 CO 0.09 0.68 0.00 0.35 0.09 0.00 0.00 178.44 179.65 3ksq n THR 214 N -4.51 0.12 -3.49 0.22 -2.24 -0.80 -4.27 114.28 99.31 3ksq n THR 214 Ca 0.09 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 3ksq n THR 214 Cb 0.04 0.58 0.06 0.00 -2.10 0.00 0.00 70.33 68.91 3ksq n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ksq n ASN 215 N 0.45 -3.43 -0.07 3.42 5.15 -0.97 -4.87 115.26 114.94 3ksq n ASN 215 Ca 0.17 -0.75 0.01 0.00 -0.60 0.00 0.00 54.58 53.41 3ksq n ASN 215 Cb 0.39 -4.64 0.02 0.00 -0.53 0.00 0.00 39.78 35.02 3ksq n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3ksq n ILE 216 N -3.93 0.99 -2.21 -1.44 -5.35 -0.60 -4.16 119.36 102.66 3ksq n ILE 216 Ca -0.21 -1.00 -0.43 0.00 -0.27 0.00 0.00 62.75 60.85 3ksq n ILE 216 Cb 0.65 0.50 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 3ksq n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ksq s ILE 217 N -0.99 3.79 0.50 7.28 1.01 -1.24 -4.84 121.20 126.71 3ksq s ILE 217 Ca 0.03 0.86 -0.00 0.00 0.00 0.00 0.00 60.65 61.53 3ksq s ILE 217 Cb 0.01 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.58 3ksq s ILE 217 CO 0.02 -0.47 0.73 0.42 0.00 0.00 0.00 174.94 175.64 3ksq s THR 218 N 5.41 3.55 0.49 2.92 -4.23 -1.26 -5.01 115.64 117.52 3ksq s THR 218 Ca 0.67 -0.49 0.16 0.00 -1.18 0.00 0.00 61.69 60.86 3ksq s THR 218 Cb -0.20 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.61 3ksq s THR 218 CO 0.30 -0.25 2.09 -0.65 -0.54 0.00 0.00 174.62 175.57 3ksq h PRO 219 N 0.23 0.13 -0.01 3.99 0.11 -2.02 -3.13 132.00 131.30 3ksq h PRO 219 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ksq h PRO 219 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ksq h PRO 219 CO 0.56 0.09 -0.54 -0.40 -0.21 0.00 0.00 178.00 177.50 3ksq n ASP 220 N -4.49 1.33 -0.21 -2.05 3.85 -1.26 -4.65 116.55 109.07 3ksq n ASP 220 Ca 0.02 -1.17 0.02 0.00 -0.71 0.00 0.00 54.79 52.95 3ksq n ASP 220 Cb 0.22 0.69 0.11 0.00 -1.35 0.00 0.00 41.12 40.79 3ksq n ASP 220 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3ksq h LEU 221 N 1.14 -0.20 -3.62 -2.12 5.85 -1.94 -2.56 115.31 111.85 3ksq h LEU 221 Ca 0.00 0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3ksq h LEU 221 Cb 0.51 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 3ksq h LEU 221 CO 0.00 -0.09 0.17 0.49 -0.34 0.00 0.00 178.44 178.67 3ksq n PHE 222 N -5.25 2.08 -1.93 1.25 3.01 -1.26 -4.96 117.46 110.41 3ksq n PHE 222 Ca 0.10 -1.14 -0.42 0.00 1.01 0.00 0.00 57.45 57.00 3ksq n PHE 222 Cb 0.37 -0.60 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 3ksq n PHE 222 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3ksq s GLU 223 N -2.97 4.20 0.00 -1.08 2.56 -0.97 -1.83 118.70 118.60 3ksq s GLU 223 Ca 0.52 2.33 0.00 0.00 0.00 0.00 0.00 54.97 57.82 3ksq s GLU 223 Cb 0.42 -3.62 0.00 0.00 2.00 0.00 0.00 34.13 32.93 3ksq s GLU 223 CO 0.12 -0.74 0.00 0.41 -0.56 0.00 0.00 175.26 174.49 3ksq n GLY 224 N 4.00 2.53 0.11 -1.50 0.00 -1.26 -4.41 105.19 104.67 3ksq n GLY 224 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3ksq n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ksq h THR 225 N 0.00 1.15 -0.82 2.61 2.02 -1.42 -0.83 112.91 115.62 3ksq h THR 225 Ca 0.00 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3ksq h THR 225 Cb 0.00 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3ksq h THR 225 CO 0.00 0.15 0.52 0.00 0.37 0.00 0.00 175.52 176.56 3ksq h ALA 226 N 0.93 1.08 -0.52 6.16 0.00 -1.88 -0.82 119.26 124.20 3ksq h ALA 226 Ca 0.06 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3ksq h ALA 226 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ksq h ALA 226 CO -0.01 0.34 -0.11 0.93 0.00 0.00 0.00 179.25 180.41 3ksq h GLU 227 N 1.02 0.97 -0.28 0.00 3.07 -1.90 -0.64 114.58 116.82 3ksq h GLU 227 Ca 0.33 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 3ksq h GLU 227 Cb 0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 3ksq h GLU 227 CO -0.12 1.02 0.06 2.35 -1.40 0.00 0.00 179.01 180.92 3ksq h TRP 228 N 0.87 0.47 -0.50 4.33 7.01 -0.64 -2.37 115.95 125.12 3ksq h TRP 228 Ca 0.14 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.08 3ksq h TRP 228 Cb 0.66 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 3ksq h TRP 228 CO 0.04 0.54 0.33 0.82 -2.79 0.00 0.00 178.44 177.37 3ksq h ILE 229 N 0.27 1.12 -0.25 2.65 2.04 -1.04 -2.07 117.51 120.23 3ksq h ILE 229 Ca 0.09 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3ksq h ILE 229 Cb 0.31 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3ksq h ILE 229 CO 0.00 0.12 0.17 0.00 0.00 0.00 0.00 178.15 178.44 3ksq h ALA 230 N 1.19 1.84 0.00 1.87 0.00 -1.05 0.98 119.26 124.08 3ksq h ALA 230 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ksq h ALA 230 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ksq h ALA 230 CO -0.05 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3ksq h ARG 231 N 0.32 0.00 0.00 0.00 3.08 -0.82 -2.57 114.38 114.39 3ksq h ARG 231 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3ksq h ARG 231 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3ksq h ARG 231 CO -0.02 0.00 -0.24 0.00 -1.07 0.00 0.00 179.97 178.64 3ksq s GLN 233 N -3.05 4.38 0.03 0.00 0.74 -0.97 -1.21 119.66 119.58 3ksq s GLN 233 Ca 0.11 1.79 0.00 0.00 0.05 0.00 0.00 55.36 57.32 3ksq s GLN 233 Cb 0.16 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.84 3ksq s GLN 233 CO 0.62 -0.37 0.02 0.27 -0.55 0.00 0.00 175.29 175.28 3ksq n ASN 234 N 4.52 1.23 0.14 6.67 6.94 -0.70 -4.96 115.26 129.09 3ksq n ASN 234 Ca 0.10 -1.11 0.19 0.00 -0.02 0.00 0.00 54.58 53.74 3ksq n ASN 234 Cb 0.46 0.00 0.76 0.00 -2.36 0.00 0.00 39.78 38.64 3ksq n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 3ksq h TRP 235 N 0.58 0.00 0.00 -2.53 5.08 -1.95 -1.58 115.95 115.55 3ksq h TRP 235 Ca -0.02 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.90 3ksq h TRP 235 Cb 0.07 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.23 3ksq h TRP 235 CO 0.00 0.00 -0.25 0.93 -1.28 0.00 0.00 178.44 177.84 3ksq h GLU 236 N 0.00 0.00 0.00 0.12 5.08 -1.97 -3.47 114.58 114.33 3ksq h GLU 236 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3ksq h GLU 236 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3ksq h GLU 236 CO -0.00 0.25 0.00 0.41 -1.00 0.00 0.00 179.01 178.67 3ksq n GLY 237 N 0.99 2.63 1.24 -3.84 0.00 -0.59 -4.53 105.19 101.08 3ksq n GLY 237 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3ksq n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksq n GLY 238 N -0.60 -0.26 3.26 -0.02 0.00 -1.26 -3.26 105.19 103.05 3ksq n GLY 238 Ca 0.00 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 3ksq n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ksq s ILE 239 N -1.38 2.05 0.55 -0.61 1.01 -1.26 -1.72 121.20 119.84 3ksq s ILE 239 Ca 0.23 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.83 3ksq s ILE 239 Cb -0.01 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.75 3ksq s ILE 239 CO 0.16 0.57 0.77 -0.83 0.00 0.00 0.00 174.94 175.60 3ksq s GLY 240 N -0.06 1.81 0.30 6.18 0.00 -0.35 -1.13 107.32 114.08 3ksq s GLY 240 Ca -0.07 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 3ksq s GLY 240 CO 0.05 -1.02 1.93 -1.33 0.00 0.00 0.00 173.10 172.72 3ksq h GLY 241 N 0.08 1.00 -3.05 0.20 0.00 -1.84 -3.44 103.07 96.01 3ksq h GLY 241 Ca -0.42 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 3ksq h GLY 241 CO 0.53 0.42 -0.55 -1.34 0.00 0.00 0.00 176.54 175.60 3ksq s VAL 242 N -5.61 0.15 0.23 4.60 -7.23 -1.26 -0.51 120.40 110.77 3ksq s VAL 242 Ca -0.11 -1.64 -0.32 0.00 -1.81 0.00 0.00 61.98 58.11 3ksq s VAL 242 Cb 0.17 -1.68 -0.13 0.00 0.56 0.00 0.00 36.38 35.30 3ksq s VAL 242 CO 0.79 -0.67 1.48 -2.65 -0.31 0.00 0.00 175.10 173.74 3ksq n PRO 243 N -0.03 2.19 0.00 4.82 -0.02 -1.26 -1.84 135.00 138.86 3ksq n PRO 243 Ca -0.11 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3ksq n PRO 243 Cb 0.62 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3ksq n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksq n GLY 244 N 2.46 3.26 3.83 -1.23 0.00 -1.26 -5.04 105.19 107.21 3ksq n GLY 244 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3ksq n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ksq s MET 245 N -0.60 3.97 0.31 1.61 -1.94 -0.76 -5.01 119.30 116.88 3ksq s MET 245 Ca 0.00 1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 54.71 3ksq s MET 245 Cb 0.00 -2.14 -0.13 0.00 2.01 0.00 0.00 34.83 34.58 3ksq s MET 245 CO 0.00 -0.25 1.33 -1.91 -0.01 0.00 0.00 175.02 174.18 3ksq n GLU 246 N -1.37 2.13 -2.00 2.03 2.13 -1.26 -4.03 120.64 118.26 3ksq n GLU 246 Ca 0.07 0.75 -0.41 0.00 0.66 0.00 0.00 57.16 58.23 3ksq n GLU 246 Cb 0.54 -2.36 -0.02 0.00 0.27 0.00 0.00 31.44 29.88 3ksq n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ksq s ALA 247 N -0.79 3.56 -0.04 4.31 0.00 -1.26 -3.98 121.76 123.57 3ksq s ALA 247 Ca 0.59 1.36 -0.04 0.00 0.00 0.00 0.00 51.96 53.87 3ksq s ALA 247 Cb -0.59 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.01 3ksq s ALA 247 CO 0.58 -0.78 0.12 -1.58 0.00 0.00 0.00 175.76 174.10 3ksq s HIS 248 N -0.79 -0.10 0.23 0.00 2.46 -0.28 -4.70 115.29 112.11 3ksq s HIS 248 Ca 0.53 0.23 -0.06 0.00 0.47 0.00 0.00 55.06 56.24 3ksq s HIS 248 Cb -0.42 0.02 0.35 0.00 -0.13 0.00 0.00 32.58 32.40 3ksq s HIS 248 CO 0.53 -0.09 1.81 0.78 -2.47 0.00 0.00 174.74 175.29 3ksq h GLY 249 N 5.71 1.19 0.93 1.59 0.00 -1.11 0.98 103.07 112.37 3ksq h GLY 249 Ca -0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 3ksq h GLY 249 CO 0.43 0.14 0.08 -1.33 0.00 0.00 0.00 176.54 175.86 3ksq h GLY 250 N 0.76 0.69 1.65 4.60 0.00 -1.86 -1.18 103.07 107.73 3ksq h GLY 250 Ca 0.37 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 3ksq h GLY 250 CO -0.23 0.41 -0.55 -0.97 0.00 0.00 0.00 176.54 175.20 3ksq h TYR 251 N 0.50 0.46 -0.33 5.60 0.99 -1.76 -2.20 116.97 120.22 3ksq h TYR 251 Ca 0.12 -0.16 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 3ksq h TYR 251 Cb 0.33 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.97 3ksq h TYR 251 CO 0.02 0.84 -0.10 1.15 -0.00 0.00 0.00 178.16 180.07 3ksq h THR 252 N 0.28 1.28 -0.09 -2.88 2.02 -0.65 -0.16 112.91 112.72 3ksq h THR 252 Ca 0.00 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.02 3ksq h THR 252 Cb 1.06 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3ksq h THR 252 CO 0.09 0.38 0.05 0.15 0.37 0.00 0.00 175.52 176.56 3ksq h PHE 253 N 0.43 0.10 -0.44 3.16 3.57 -1.19 -1.29 116.94 121.28 3ksq h PHE 253 Ca 0.08 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3ksq h PHE 253 Cb 0.60 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 3ksq h PHE 253 CO 0.05 0.06 0.16 0.00 -2.23 0.00 0.00 178.31 176.36 3ksq h GLY 255 N 0.33 -0.50 0.88 0.00 0.00 -0.83 -1.70 103.07 101.26 3ksq h GLY 255 Ca 0.21 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 3ksq h GLY 255 CO -0.21 -0.18 0.01 -2.00 0.00 0.00 0.00 176.54 174.16 3ksq h LEU 256 N -0.58 0.49 -1.10 3.11 5.85 -1.18 -1.86 115.31 120.04 3ksq h LEU 256 Ca -0.05 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3ksq h LEU 256 Cb 0.43 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3ksq h LEU 256 CO 0.08 0.67 0.41 0.00 -0.34 0.00 0.00 178.44 179.26 3ksq h ALA 257 N 0.84 1.31 -0.54 1.25 0.00 -0.91 0.16 119.26 121.38 3ksq h ALA 257 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3ksq h ALA 257 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ksq h ALA 257 CO 0.01 0.56 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 3ksq h ALA 258 N 1.41 0.92 -0.25 0.00 0.00 -1.20 -2.15 119.26 117.99 3ksq h ALA 258 Ca 0.26 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3ksq h ALA 258 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ksq h ALA 258 CO -0.04 0.64 -0.31 -0.07 0.00 0.00 0.00 179.25 179.47 3ksq h LEU 259 N 0.86 0.53 -0.10 0.00 3.38 -0.44 -1.59 115.31 117.95 3ksq h LEU 259 Ca 0.15 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ksq h LEU 259 Cb 0.56 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ksq h LEU 259 CO 0.03 0.81 0.06 0.58 0.09 0.00 0.00 178.44 180.01 3ksq h VAL 260 N 0.44 1.06 -0.71 1.22 2.07 -0.83 0.35 116.25 119.85 3ksq h VAL 260 Ca 0.06 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3ksq h VAL 260 Cb 0.76 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3ksq h VAL 260 CO 0.06 0.06 0.42 0.40 0.02 0.00 0.00 177.57 178.53 3ksq h ILE 261 N 0.10 1.03 0.00 4.57 2.04 -1.15 -1.99 117.51 122.11 3ksq h ILE 261 Ca 0.04 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ksq h ILE 261 Cb 0.04 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3ksq h ILE 261 CO -0.01 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.47 3ksq n LEU 262 N -4.71 0.25 -2.97 1.44 4.77 -0.62 -4.92 117.00 110.23 3ksq n LEU 262 Ca 0.09 0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 56.44 3ksq n LEU 262 Cb 0.14 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 40.84 3ksq n LEU 262 CO 0.31 -0.09 0.13 0.29 -1.33 0.00 0.00 177.39 176.70 3ksq n LYS 263 N -1.73 -5.74 -0.92 3.23 5.02 0.17 -4.96 118.16 113.23 3ksq n LYS 263 Ca 0.06 0.68 0.04 0.00 -2.02 0.00 0.00 58.31 57.07 3ksq n LYS 263 Cb 0.35 -5.22 0.07 0.00 -0.02 0.00 0.00 35.03 30.21 3ksq n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ksq n LYS 264 N -3.74 0.48 0.01 1.97 4.76 0.98 -4.86 118.16 117.76 3ksq n LYS 264 Ca -0.15 -2.12 0.20 0.00 -2.87 0.00 0.00 58.31 53.37 3ksq n LYS 264 Cb 0.60 -0.63 0.69 0.00 -1.84 0.00 0.00 35.03 33.86 3ksq n LYS 264 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3ksq h GLU 265 N 0.67 0.00 0.00 1.97 3.07 -1.91 -1.45 114.58 116.93 3ksq h GLU 265 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3ksq h GLU 265 Cb 1.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 3ksq h GLU 265 CO 0.04 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.65 3ksq h ARG 266 N 0.00 0.00 0.00 2.33 -0.00 -1.93 -2.24 114.38 112.54 3ksq h ARG 266 Ca 0.24 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.72 3ksq h ARG 266 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.95 3ksq h ARG 266 CO -0.00 0.00 -0.01 0.77 0.00 0.00 0.00 179.97 180.73 3ksq h SER 267 N 0.00 0.00 -2.67 7.04 0.02 -1.65 -3.43 113.55 112.87 3ksq h SER 267 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 3ksq h SER 267 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3ksq h SER 267 CO 0.00 0.01 -0.34 -0.76 -1.14 0.00 0.00 176.83 174.60 3ksq s LEU 268 N -6.36 4.22 -0.87 5.07 1.43 -0.84 -4.85 118.68 116.48 3ksq s LEU 268 Ca -0.04 0.32 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 3ksq s LEU 268 Cb 0.12 -3.10 0.06 0.00 0.03 0.00 0.00 46.19 43.30 3ksq s LEU 268 CO 0.46 -0.09 1.27 0.21 0.23 0.00 0.00 176.35 178.43 3ksq s ASN 269 N -3.51 6.37 0.49 2.29 3.84 -1.26 -4.88 114.94 118.27 3ksq s ASN 269 Ca 0.37 -1.18 0.20 0.00 0.21 0.00 0.00 52.86 52.46 3ksq s ASN 269 Cb -0.10 -2.52 1.22 0.00 -0.55 0.00 0.00 41.25 39.31 3ksq s ASN 269 CO 0.30 -1.52 2.05 -0.07 -2.79 0.00 0.00 177.10 175.07 3ksq h LEU 270 N 12.25 0.00 0.04 3.21 3.38 -1.91 -2.59 115.31 129.69 3ksq h LEU 270 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 3ksq h LEU 270 Cb 1.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.81 3ksq h LEU 270 CO 1.29 0.14 -1.10 0.11 0.09 0.00 0.00 178.44 178.97 3ksq h LYS 271 N 0.00 0.67 -0.17 1.13 1.79 -1.98 0.56 116.57 118.58 3ksq h LYS 271 Ca -0.00 -0.78 -0.10 0.00 -2.18 0.00 0.00 60.65 57.59 3ksq h LYS 271 Cb 0.28 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 3ksq h LYS 271 CO 0.02 1.34 -0.34 0.66 -1.08 0.00 0.00 179.45 180.05 3ksq h SER 272 N 0.34 0.35 -0.17 0.86 4.64 -1.87 -2.02 113.55 115.69 3ksq h SER 272 Ca -0.15 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3ksq h SER 272 Cb 1.76 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 3ksq h SER 272 CO 0.21 0.68 0.04 0.25 -0.87 0.00 0.00 176.83 177.15 3ksq h LEU 273 N 0.30 0.26 -0.44 5.97 6.46 -1.39 -0.92 115.31 125.54 3ksq h LEU 273 Ca 0.04 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.58 3ksq h LEU 273 Cb 0.75 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 3ksq h LEU 273 CO 0.06 0.42 0.27 0.25 -0.62 0.00 0.00 178.44 178.82 3ksq h LEU 274 N 0.09 0.45 -0.65 2.25 5.85 -0.78 -0.81 115.31 121.70 3ksq h LEU 274 Ca 0.05 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3ksq h LEU 274 Cb 0.26 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3ksq h LEU 274 CO 0.00 0.32 0.22 -0.61 -0.34 0.00 0.00 178.44 178.03 3ksq h GLN 275 N 0.55 1.00 -0.02 1.25 4.15 -1.22 -2.28 115.11 118.54 3ksq h GLN 275 Ca 0.17 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3ksq h GLN 275 Cb -0.01 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 3ksq h GLN 275 CO -0.07 0.87 0.00 2.35 -1.93 0.00 0.00 178.83 180.05 3ksq h TRP 276 N 0.93 0.03 -0.30 3.99 7.01 -0.85 -2.72 115.95 124.03 3ksq h TRP 276 Ca 0.21 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 3ksq h TRP 276 Cb 0.27 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 3ksq h TRP 276 CO 0.02 0.29 0.15 -0.24 -2.79 0.00 0.00 178.44 175.87 3ksq h VAL 277 N -0.24 1.15 -0.57 2.65 3.04 -1.08 -2.88 116.25 118.32 3ksq h VAL 277 Ca 0.01 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3ksq h VAL 277 Cb 0.28 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 30.40 3ksq h VAL 277 CO 0.00 0.16 0.36 0.71 -1.01 0.00 0.00 177.57 177.78 3ksq h THR 278 N 0.36 1.16 0.00 3.17 1.35 -1.48 0.18 112.91 117.65 3ksq h THR 278 Ca 0.11 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3ksq h THR 278 Cb 0.11 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 3ksq h THR 278 CO -0.01 0.16 0.00 0.28 -0.25 0.00 0.00 175.52 175.70 3ksq h SER 279 N 0.78 0.00 0.81 5.36 0.02 -1.27 -2.73 113.55 116.52 3ksq h SER 279 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3ksq h SER 279 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3ksq h SER 279 CO -0.04 0.00 -0.15 0.54 -1.14 0.00 0.00 176.83 176.04 3ksq n ARG 280 N -2.50 0.05 -2.63 3.45 5.12 0.05 -4.79 116.66 115.41 3ksq n ARG 280 Ca -0.00 -0.01 -0.42 0.00 -1.93 0.00 0.00 57.85 55.49 3ksq n ARG 280 Cb 0.16 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.93 3ksq n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3ksq s GLN 281 N -2.96 4.53 -0.15 5.56 0.74 -1.03 -1.37 119.66 124.98 3ksq s GLN 281 Ca 0.14 1.52 -0.29 0.00 0.05 0.00 0.00 55.36 56.79 3ksq s GLN 281 Cb 0.19 -3.42 -0.00 0.00 1.10 0.00 0.00 33.01 30.87 3ksq s GLN 281 CO 0.57 -0.09 1.01 -1.64 -0.55 0.00 0.00 175.29 174.59 3ksq s MET 282 N 0.95 4.36 0.33 1.67 -1.94 0.50 -4.94 119.30 120.23 3ksq s MET 282 Ca 0.54 1.35 0.04 0.00 -1.71 0.00 0.00 55.69 55.91 3ksq s MET 282 Cb -0.24 -3.58 0.65 0.00 2.01 0.00 0.00 34.83 33.67 3ksq s MET 282 CO 0.29 -0.42 1.93 0.07 -0.01 0.00 0.00 175.02 176.88 3ksq h ARG 283 N 7.23 0.85 0.00 2.03 0.11 -1.89 -0.01 114.38 122.70 3ksq h ARG 283 Ca -0.27 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 59.76 3ksq h ARG 283 Cb 1.12 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 32.00 3ksq h ARG 283 CO 0.89 0.56 -0.18 0.35 0.10 0.00 0.00 179.97 181.70 3ksq h PHE 284 N 0.88 0.00 -0.42 4.08 3.57 -1.93 -3.39 116.94 119.73 3ksq h PHE 284 Ca 0.35 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 3ksq h PHE 284 Cb 0.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3ksq h PHE 284 CO -0.00 0.02 -0.08 0.93 -2.23 0.00 0.00 178.31 176.95 3ksq h GLU 285 N -1.00 0.72 0.00 1.11 3.07 -1.93 -3.47 114.58 113.07 3ksq h GLU 285 Ca -0.00 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3ksq h GLU 285 Cb 0.19 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3ksq h GLU 285 CO -0.00 0.78 0.00 0.41 -1.40 0.00 0.00 179.01 178.80 3ksq n GLY 286 N -0.55 3.24 1.59 -3.84 0.00 -0.02 -4.44 105.19 101.16 3ksq n GLY 286 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3ksq n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksq n GLY 287 N -1.79 -0.56 3.61 -0.02 0.00 -1.26 -3.36 105.19 101.80 3ksq n GLY 287 Ca 0.00 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 3ksq n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ksq s PHE 288 N -1.81 2.83 0.28 1.61 0.40 -1.26 -0.37 117.98 119.66 3ksq s PHE 288 Ca 0.30 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 3ksq s PHE 288 Cb -0.01 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 3ksq s PHE 288 CO 0.20 0.43 0.50 1.14 0.70 0.00 0.00 175.22 178.19 3ksq s GLN 289 N -2.11 3.53 0.09 0.44 -2.07 -0.47 -1.80 119.66 117.27 3ksq s GLN 289 Ca 0.22 -0.26 0.05 0.00 -1.82 0.00 0.00 55.36 53.55 3ksq s GLN 289 Cb -0.11 -2.72 -0.23 0.00 -1.09 0.00 0.00 33.01 28.86 3ksq s GLN 289 CO 0.14 0.25 1.18 0.78 -1.32 0.00 0.00 175.29 176.32 3ksq h GLY 290 N 1.40 0.06 -3.17 2.60 0.00 -1.90 -3.46 103.07 98.61 3ksq h GLY 290 Ca -0.49 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 3ksq h GLY 290 CO 0.65 0.13 -0.40 0.50 0.00 0.00 0.00 176.54 177.42 3ksq s ARG 291 N -2.69 0.82 0.27 4.80 0.52 -1.26 -0.54 118.95 120.87 3ksq s ARG 291 Ca -0.01 -0.98 -0.31 0.00 -0.52 0.00 0.00 55.73 53.91 3ksq s ARG 291 Cb 0.09 0.33 -0.12 0.00 0.52 0.00 0.00 34.95 35.77 3ksq s ARG 291 CO 0.83 -0.25 1.56 0.00 0.02 0.00 0.00 175.30 177.46 3ksq n ASN 293 N 2.34 -4.63 -4.90 0.00 3.02 -1.26 -5.03 115.26 104.81 3ksq n ASN 293 Ca 0.10 0.33 -0.28 0.00 -0.03 0.00 0.00 54.58 54.70 3ksq n ASN 293 Cb 0.35 -3.31 -0.01 0.00 -0.61 0.00 0.00 39.78 36.20 3ksq n ASN 293 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ksq s LYS 294 N -3.13 2.23 0.43 3.52 1.02 -1.05 -4.95 119.74 117.81 3ksq s LYS 294 Ca 0.00 -2.13 -0.09 0.00 0.02 0.00 0.00 55.97 53.76 3ksq s LYS 294 Cb 0.00 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 3ksq s LYS 294 CO 0.00 -0.64 0.78 -0.51 -0.92 0.00 0.00 175.35 174.06 3ksq s LEU 295 N -4.25 3.77 0.64 3.17 1.43 -1.26 -4.87 118.68 117.31 3ksq s LEU 295 Ca 0.27 1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.29 3ksq s LEU 295 Cb -0.02 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.19 3ksq s LEU 295 CO 0.17 -0.45 1.28 0.54 0.23 0.00 0.00 176.35 178.12 3ksq s VAL 296 N -2.47 2.15 -0.20 -1.59 0.11 -1.26 -4.20 120.40 112.93 3ksq s VAL 296 Ca 0.51 0.09 -0.10 0.00 -2.93 0.00 0.00 61.98 59.54 3ksq s VAL 296 Cb -0.10 -3.01 0.07 0.00 -1.53 0.00 0.00 36.38 31.80 3ksq s VAL 296 CO 0.35 -0.02 0.48 -0.62 -3.33 0.00 0.00 175.10 171.95 3ksq s ASP 297 N -1.46 -0.60 0.43 3.54 -1.08 -0.75 -4.85 116.67 111.90 3ksq s ASP 297 Ca 0.81 1.05 0.19 0.00 -0.52 0.00 0.00 52.55 54.08 3ksq s ASP 297 Cb -0.36 0.99 1.12 0.00 -1.46 0.00 0.00 42.92 43.21 3ksq s ASP 297 CO 0.39 -0.21 1.87 1.23 0.52 0.00 0.00 175.17 178.97 3ksq h GLY 298 N 7.21 0.78 2.00 2.66 0.00 -0.70 -1.92 103.07 113.10 3ksq h GLY 298 Ca -0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3ksq h GLY 298 CO 0.25 -0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.58 3ksq n TYR 300 N -3.59 0.00 -0.01 0.00 4.02 -0.72 -1.77 117.16 115.08 3ksq n TYR 300 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3ksq n TYR 300 Cb 0.35 -0.29 0.31 0.00 -0.02 0.00 0.00 39.34 39.68 3ksq n TYR 300 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3ksq h SER 301 N 0.00 0.51 0.00 7.72 0.02 -1.43 -0.62 113.55 119.75 3ksq h SER 301 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3ksq h SER 301 Cb 0.13 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ksq h SER 301 CO 0.00 0.54 -0.37 0.15 -1.14 0.00 0.00 176.83 176.01 3ksq h PHE 302 N 0.53 0.00 -0.85 3.45 3.57 -1.43 -3.15 116.94 119.07 3ksq h PHE 302 Ca 0.12 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.78 3ksq h PHE 302 Cb 0.27 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 3ksq h PHE 302 CO 0.01 0.00 0.41 -1.49 -2.23 0.00 0.00 178.31 175.01 3ksq h TRP 303 N -0.98 0.70 0.00 0.41 4.06 -1.58 0.31 115.95 118.87 3ksq h TRP 303 Ca 0.00 0.04 -0.15 0.00 2.06 0.00 0.00 58.89 60.84 3ksq h TRP 303 Cb 0.37 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 3ksq h TRP 303 CO -0.16 0.11 -0.89 1.96 -3.56 0.00 0.00 178.44 175.90 3ksq h GLN 304 N 0.54 0.00 0.00 0.49 1.08 -1.34 -3.37 115.11 112.51 3ksq h GLN 304 Ca 0.48 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.63 3ksq h GLN 304 Cb 0.74 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 3ksq h GLN 304 CO -0.41 0.79 -0.22 0.00 -0.95 0.00 0.00 178.83 178.04 3ksq h ALA 305 N -0.53 1.19 0.00 3.87 0.00 -1.49 -2.14 119.26 120.16 3ksq h ALA 305 Ca -0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ksq h ALA 305 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ksq h ALA 305 CO -0.14 0.28 0.00 0.78 0.00 0.00 0.00 179.25 180.17 3ksq h GLY 306 N 1.39 0.00 1.95 0.00 0.00 -0.52 -1.98 103.07 103.90 3ksq h GLY 306 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3ksq h GLY 306 CO 0.03 0.00 -0.65 1.41 0.00 0.00 0.00 176.54 177.33 3ksq h LEU 307 N 0.00 0.06 -0.40 3.11 3.38 -1.53 -3.29 115.31 116.64 3ksq h LEU 307 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3ksq h LEU 307 Cb 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3ksq h LEU 307 CO 0.00 0.69 0.12 -0.07 0.09 0.00 0.00 178.44 179.27 3ksq h LEU 308 N 0.04 0.58 -1.07 1.67 -0.00 -1.50 0.20 115.31 115.22 3ksq h LEU 308 Ca -0.01 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.61 3ksq h LEU 308 Cb 1.16 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.64 3ksq h LEU 308 CO 0.09 0.63 0.11 -0.65 -0.00 0.00 0.00 178.44 178.62 3ksq h PRO 309 N 0.50 0.77 -0.69 1.13 0.11 -1.72 -0.12 132.00 131.97 3ksq h PRO 309 Ca 0.13 -0.16 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3ksq h PRO 309 Cb 0.26 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 3ksq h PRO 309 CO -0.00 0.71 0.20 -0.07 -0.21 0.00 0.00 178.00 178.63 3ksq h LEU 310 N 0.74 1.02 -0.32 2.35 3.38 -1.56 -1.70 115.31 119.21 3ksq h LEU 310 Ca 0.16 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 3ksq h LEU 310 Cb 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ksq h LEU 310 CO 0.00 0.97 -0.59 -0.07 0.09 0.00 0.00 178.44 178.83 3ksq h LEU 311 N 1.02 0.89 0.09 1.67 3.38 -0.60 -1.27 115.31 120.50 3ksq h LEU 311 Ca 0.22 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ksq h LEU 311 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ksq h LEU 311 CO -0.00 1.28 -0.12 -0.74 0.09 0.00 0.00 178.44 178.94 3ksq h HIS 312 N 0.59 -0.32 -0.69 1.13 2.76 -0.86 0.16 115.15 117.93 3ksq h HIS 312 Ca 0.00 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3ksq h HIS 312 Cb 1.19 0.13 -0.04 0.00 1.55 0.00 0.00 27.41 30.24 3ksq h HIS 312 CO 0.07 -0.19 0.43 -0.09 -1.30 0.00 0.00 177.93 176.85 3ksq h ARG 313 N -0.26 0.81 -0.09 5.26 2.43 -1.29 0.06 114.38 121.30 3ksq h ARG 313 Ca 0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3ksq h ARG 313 Cb 0.26 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3ksq h ARG 313 CO -0.06 0.54 0.04 0.00 -1.51 0.00 0.00 179.97 178.98 3ksq h ALA 314 N 1.30 0.12 -0.40 2.80 0.00 -0.85 -1.92 119.26 120.32 3ksq h ALA 314 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3ksq h ALA 314 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ksq h ALA 314 CO -0.11 -0.28 -0.12 -0.07 0.00 0.00 0.00 179.25 178.67 3ksq h LEU 315 N -0.02 0.70 -0.85 0.00 3.38 -0.46 -2.91 115.31 115.15 3ksq h LEU 315 Ca 0.03 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3ksq h LEU 315 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3ksq h LEU 315 CO -0.00 0.85 0.02 -0.74 0.09 0.00 0.00 178.44 178.65 3ksq h HIS 316 N 0.65 0.93 0.00 1.13 2.76 -0.91 -1.87 115.15 117.84 3ksq h HIS 316 Ca 0.11 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3ksq h HIS 316 Cb 0.58 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3ksq h HIS 316 CO 0.03 0.84 -0.12 0.00 -1.30 0.00 0.00 177.93 177.38 3ksq h ALA 317 N 1.20 1.20 -0.26 5.26 0.00 -1.15 0.11 119.26 125.63 3ksq h ALA 317 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ksq h ALA 317 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ksq h ALA 317 CO 0.02 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.46 3ksq n GLN 318 N -3.52 1.89 -3.33 0.00 6.02 -0.99 -4.96 117.38 112.50 3ksq n GLN 318 Ca -0.01 -1.35 -0.16 0.00 -0.01 0.00 0.00 57.00 55.46 3ksq n GLN 318 Cb 0.26 -1.39 0.08 0.00 1.02 0.00 0.00 30.24 30.21 3ksq n GLN 318 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ksq n GLY 319 N 1.19 -0.30 3.66 1.08 0.00 0.39 -4.97 105.19 106.24 3ksq n GLY 319 Ca 0.16 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3ksq n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ksq s ASP 320 N -4.12 6.87 0.19 1.61 3.68 -0.74 -4.93 116.67 119.24 3ksq s ASP 320 Ca 0.07 1.84 0.24 0.00 2.13 0.00 0.00 52.55 56.84 3ksq s ASP 320 Cb -0.03 -2.54 0.46 0.00 -1.45 0.00 0.00 42.92 39.36 3ksq s ASP 320 CO 0.66 -0.80 1.47 1.55 0.13 0.00 0.00 175.17 178.19 3ksq h PRO 321 N 8.52 0.00 -0.03 4.34 0.13 -1.93 -3.34 132.00 139.69 3ksq h PRO 321 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ksq h PRO 321 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ksq h PRO 321 CO 0.96 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 3ksq n ALA 322 N -1.88 2.60 -1.77 -0.56 0.00 -1.26 -4.94 120.51 112.69 3ksq n ALA 322 Ca 0.04 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 3ksq n ALA 322 Cb 0.46 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3ksq n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ksq s LEU 323 N -1.95 4.48 0.73 0.00 1.43 -1.26 -5.01 118.68 117.10 3ksq s LEU 323 Ca 0.39 2.51 -0.15 0.00 -1.03 0.00 0.00 54.13 55.85 3ksq s LEU 323 Cb 0.21 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.83 3ksq s LEU 323 CO 0.33 -0.38 1.22 -0.55 0.23 0.00 0.00 176.35 177.21 3ksq s SER 324 N -0.61 4.17 0.00 2.29 0.15 -1.26 -4.95 113.70 113.48 3ksq s SER 324 Ca 0.47 2.41 0.11 0.00 0.70 0.00 0.00 55.95 59.65 3ksq s SER 324 Cb -0.37 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 61.53 3ksq s SER 324 CO 0.48 -2.28 1.03 0.23 1.20 0.00 0.00 173.24 173.89 3ksq n MET 325 N -2.67 1.51 0.00 5.44 0.00 -1.26 -4.68 117.12 115.45 3ksq n MET 325 Ca 0.14 -1.54 0.00 0.00 0.00 0.00 0.00 57.70 56.29 3ksq n MET 325 Cb 0.50 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 32.47 3ksq n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3ksq n SER 326 N 0.62 0.51 -4.18 7.83 3.41 -1.26 -4.62 113.62 115.93 3ksq n SER 326 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 3ksq n SER 326 Cb 0.35 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 3ksq n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ksq s HIS 327 N -0.54 1.13 0.67 7.33 3.76 -1.26 -4.61 115.29 121.77 3ksq s HIS 327 Ca 0.00 -0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 54.20 3ksq s HIS 327 Cb 0.00 -0.61 -0.01 0.00 1.11 0.00 0.00 32.58 33.07 3ksq s HIS 327 CO 0.00 0.03 1.05 -1.58 -0.85 0.00 0.00 174.74 173.40 3ksq s TRP 328 N -2.14 3.35 -0.08 1.40 0.23 -1.26 -4.62 118.94 115.82 3ksq s TRP 328 Ca 0.04 1.30 -0.04 0.00 -2.03 0.00 0.00 56.10 55.36 3ksq s TRP 328 Cb -0.05 -2.85 -0.15 0.00 0.03 0.00 0.00 33.47 30.45 3ksq s TRP 328 CO 0.01 -1.03 3.15 -1.33 0.96 0.00 0.00 176.95 178.71 3ksq n MET 329 N -2.97 1.87 -3.87 4.98 2.81 -1.26 -4.76 117.12 113.92 3ksq n MET 329 Ca 0.07 -1.04 -0.09 0.00 -1.81 0.00 0.00 57.70 54.82 3ksq n MET 329 Cb 0.54 -1.83 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 3ksq n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 3ksq s PHE 330 N 0.31 0.21 -0.87 2.03 -0.12 -1.26 -4.83 117.98 113.45 3ksq s PHE 330 Ca 0.52 -0.57 -0.25 0.00 -0.05 0.00 0.00 56.93 56.58 3ksq s PHE 330 Cb 0.27 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.74 3ksq s PHE 330 CO -0.03 -0.74 1.55 -1.58 -0.05 0.00 0.00 175.22 174.37 3ksq s HIS 331 N -3.92 2.21 0.20 3.49 5.65 -1.26 -4.85 115.29 116.82 3ksq s HIS 331 Ca 0.13 -0.14 -0.11 0.00 0.25 0.00 0.00 55.06 55.19 3ksq s HIS 331 Cb 0.02 -4.48 0.18 0.00 -1.18 0.00 0.00 32.58 27.13 3ksq s HIS 331 CO -0.03 -1.99 1.83 1.96 -0.65 0.00 0.00 174.74 175.87 3ksq h GLN 332 N 10.81 0.76 0.16 2.88 4.20 -1.89 -2.30 115.11 129.73 3ksq h GLN 332 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3ksq h GLN 332 Cb 1.04 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3ksq h GLN 332 CO 1.32 0.50 -0.08 0.37 -0.67 0.00 0.00 178.83 180.27 3ksq h GLN 333 N 0.78 -0.21 -0.35 1.46 4.15 -1.88 -1.96 115.11 117.10 3ksq h GLN 333 Ca 0.27 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 3ksq h GLN 333 Cb 0.05 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3ksq h GLN 333 CO -0.12 -0.08 0.10 0.00 -1.93 0.00 0.00 178.83 176.81 3ksq h ALA 334 N 0.55 1.53 -0.05 3.38 0.00 -1.86 -1.50 119.26 121.29 3ksq h ALA 334 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ksq h ALA 334 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ksq h ALA 334 CO 0.04 0.36 -0.03 1.25 0.00 0.00 0.00 179.25 180.87 3ksq h LEU 335 N 0.50 0.12 -1.17 0.00 5.85 -1.32 -1.66 115.31 117.62 3ksq h LEU 335 Ca 0.12 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3ksq h LEU 335 Cb 0.17 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3ksq h LEU 335 CO -0.01 0.51 0.58 1.56 -0.34 0.00 0.00 178.44 180.74 3ksq h GLN 336 N -0.28 0.97 -0.34 1.25 4.20 -1.02 -1.32 115.11 118.57 3ksq h GLN 336 Ca 0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3ksq h GLN 336 Cb 0.47 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3ksq h GLN 336 CO 0.01 0.64 0.08 0.93 -0.67 0.00 0.00 178.83 179.82 3ksq h GLU 337 N 1.00 0.54 -0.22 1.46 5.08 -1.19 0.79 114.58 122.03 3ksq h GLU 337 Ca 0.38 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3ksq h GLU 337 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ksq h GLU 337 CO -0.14 0.59 0.14 -0.92 -1.00 0.00 0.00 179.01 177.68 3ksq h TYR 338 N 0.39 0.27 0.34 4.33 3.20 -0.79 -0.66 116.97 124.05 3ksq h TYR 338 Ca 0.11 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3ksq h TYR 338 Cb 0.29 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3ksq h TYR 338 CO 0.01 0.18 -0.16 0.82 -1.64 0.00 0.00 178.16 177.37 3ksq h ILE 339 N 0.29 0.68 -0.78 1.81 2.04 -1.08 0.28 117.51 120.75 3ksq h ILE 339 Ca 0.08 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3ksq h ILE 339 Cb -0.03 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3ksq h ILE 339 CO -0.02 0.06 0.31 -0.07 0.00 0.00 0.00 178.15 178.43 3ksq h LEU 340 N -0.62 1.09 0.17 1.44 3.38 -0.83 -1.27 115.31 118.66 3ksq h LEU 340 Ca -0.05 -0.18 -0.35 0.00 0.09 0.00 0.00 57.88 57.40 3ksq h LEU 340 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ksq h LEU 340 CO 0.08 0.97 -1.75 0.24 0.09 0.00 0.00 178.44 178.06 3ksq h MET 341 N 1.14 0.36 0.00 1.13 2.86 -1.17 -3.41 114.93 115.83 3ksq h MET 341 Ca 0.26 -0.61 -0.14 0.00 -2.06 0.00 0.00 59.70 57.15 3ksq h MET 341 Cb 0.23 0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 3ksq h MET 341 CO -0.02 1.27 -1.89 0.00 1.06 0.00 0.00 176.91 177.33 3ksq s GLN 344 N -1.38 4.19 0.03 0.00 -0.21 -1.23 -0.89 119.66 120.17 3ksq s GLN 344 Ca 0.37 0.05 -0.26 0.00 0.02 0.00 0.00 55.36 55.54 3ksq s GLN 344 Cb 0.22 -3.40 -0.05 0.00 1.00 0.00 0.00 33.01 30.77 3ksq s GLN 344 CO 0.30 0.30 0.82 0.00 -2.12 0.00 0.00 175.29 174.59 3ksq h PRO 346 N 5.97 0.75 0.00 0.00 0.11 -1.97 -1.54 132.00 135.32 3ksq h PRO 346 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ksq h PRO 346 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ksq h PRO 346 CO 0.72 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 179.01 3ksq n ALA 347 N -2.44 2.52 0.00 -0.75 0.00 -1.26 -4.98 120.51 113.61 3ksq n ALA 347 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ksq n ALA 347 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3ksq n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksq n GLY 348 N 0.71 2.57 0.00 0.00 0.00 -0.58 -4.79 105.19 103.11 3ksq n GLY 348 Ca 0.20 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3ksq n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksq n GLY 349 N 1.16 1.33 3.57 -0.02 0.00 -1.26 -4.63 105.19 105.33 3ksq n GLY 349 Ca 0.00 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 3ksq n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ksq s LEU 350 N -0.69 2.79 0.21 0.99 1.02 -1.26 -0.75 118.68 121.00 3ksq s LEU 350 Ca 0.00 -1.14 -0.01 0.00 0.02 0.00 0.00 54.13 52.99 3ksq s LEU 350 Cb 0.00 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 45.08 3ksq s LEU 350 CO 0.00 -0.21 0.16 -1.48 0.02 0.00 0.00 176.35 174.84 3ksq s LEU 351 N -3.63 1.13 0.04 1.79 0.05 -0.07 -3.08 118.68 114.91 3ksq s LEU 351 Ca 0.33 -1.38 -0.33 0.00 0.05 0.00 0.00 54.13 52.80 3ksq s LEU 351 Cb 0.02 0.46 -0.18 0.00 -2.05 0.00 0.00 46.19 44.44 3ksq s LEU 351 CO 0.17 -0.87 1.40 -0.78 -0.55 0.00 0.00 176.35 175.73 3ksq h ASP 352 N 2.58 -0.94 -5.08 1.48 3.58 -1.88 -3.39 116.42 112.77 3ksq h ASP 352 Ca -0.35 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.13 3ksq h ASP 352 Cb 1.25 0.24 -0.08 0.00 1.72 0.00 0.00 39.33 42.46 3ksq h ASP 352 CO 0.51 -0.61 0.09 -1.59 -2.88 0.00 0.00 179.24 174.77 3ksq s LYS 353 N -5.49 1.58 0.30 0.28 -2.85 -1.26 -0.10 119.74 112.20 3ksq s LYS 353 Ca -0.17 -0.97 -0.30 0.00 -1.00 0.00 0.00 55.97 53.53 3ksq s LYS 353 Cb 0.02 0.55 -0.12 0.00 -2.06 0.00 0.00 37.83 36.22 3ksq s LYS 353 CO 0.54 -0.69 1.46 -2.30 0.10 0.00 0.00 175.35 174.46 3ksq n PRO 354 N -0.40 2.40 -0.04 1.78 -0.02 -1.23 -2.05 135.00 135.43 3ksq n PRO 354 Ca -0.06 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3ksq n PRO 354 Cb 0.61 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3ksq n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksq n GLY 355 N 1.59 0.44 3.96 -1.23 0.00 -1.26 -5.06 105.19 103.63 3ksq n GLY 355 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3ksq n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksq s LYS 356 N -0.87 3.45 0.18 1.61 -0.14 -0.87 -5.10 119.74 117.99 3ksq s LYS 356 Ca 0.00 -0.64 -0.17 0.00 -1.36 0.00 0.00 55.97 53.80 3ksq s LYS 356 Cb 0.00 -2.87 -0.07 0.00 -1.68 0.00 0.00 37.83 33.21 3ksq s LYS 356 CO 0.00 0.40 0.62 -1.12 -0.76 0.00 0.00 175.35 174.50 3ksq s SER 357 N -3.80 6.93 0.81 2.83 0.01 -1.26 -4.92 113.70 114.30 3ksq s SER 357 Ca 0.35 1.23 -0.12 0.00 1.31 0.00 0.00 55.95 58.72 3ksq s SER 357 Cb -0.10 -2.35 0.09 0.00 0.21 0.00 0.00 66.02 63.87 3ksq s SER 357 CO 0.30 0.07 1.14 0.00 0.41 0.00 0.00 173.24 175.17 3ksq s ARG 358 N -1.95 1.76 0.06 12.44 1.70 -1.26 -4.72 118.95 126.98 3ksq s ARG 358 Ca 0.40 1.48 -0.26 0.00 -0.47 0.00 0.00 55.73 56.88 3ksq s ARG 358 Cb -0.16 -1.82 0.08 0.00 -0.57 0.00 0.00 34.95 32.49 3ksq s ARG 358 CO 0.20 -2.07 0.73 0.16 -1.08 0.00 0.00 175.30 173.24 3ksq s ASP 359 N -2.71 -0.49 0.42 -2.89 1.47 -1.18 -5.02 116.67 106.27 3ksq s ASP 359 Ca 0.67 0.09 0.14 0.00 1.18 0.00 0.00 52.55 54.63 3ksq s ASP 359 Cb -0.23 0.50 0.92 0.00 -0.34 0.00 0.00 42.92 43.77 3ksq s ASP 359 CO 0.53 -0.78 1.94 -0.26 0.68 0.00 0.00 175.17 177.29 3ksq h PHE 360 N 2.12 0.00 0.10 2.11 -1.00 -1.97 -1.68 116.94 116.62 3ksq h PHE 360 Ca -0.28 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.49 3ksq h PHE 360 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3ksq h PHE 360 CO 0.26 0.24 -0.05 -0.92 -1.61 0.00 0.00 178.31 176.23 3ksq h TYR 361 N 0.00 -0.13 -0.13 -0.55 3.20 -1.94 -0.37 116.97 117.05 3ksq h TYR 361 Ca -0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3ksq h TYR 361 Cb 0.43 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3ksq h TYR 361 CO 0.00 0.14 -0.29 0.45 -1.64 0.00 0.00 178.16 176.82 3ksq h HIS 362 N -0.40 0.27 -0.12 -3.82 3.86 -1.80 -1.52 115.15 111.63 3ksq h HIS 362 Ca -0.01 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3ksq h HIS 362 Cb 0.33 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3ksq h HIS 362 CO 0.01 0.51 0.05 1.15 0.86 0.00 0.00 177.93 180.52 3ksq h THR 363 N 0.22 1.13 -0.07 2.45 2.02 -1.17 1.00 112.91 118.48 3ksq h THR 363 Ca 0.03 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3ksq h THR 363 Cb 0.63 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 3ksq h THR 363 CO 0.05 0.12 -0.05 0.00 0.37 0.00 0.00 175.52 176.00 3ksq h TYR 365 N -0.06 0.17 -0.39 0.00 -1.99 -1.13 -0.49 116.97 113.08 3ksq h TYR 365 Ca 0.05 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 3ksq h TYR 365 Cb 0.13 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 3ksq h TYR 365 CO -0.16 1.08 0.15 0.00 -0.00 0.00 0.00 178.16 179.22 3ksq h LEU 367 N 0.49 0.87 -0.28 0.00 3.38 -1.47 -0.25 115.31 118.04 3ksq h LEU 367 Ca 0.13 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ksq h LEU 367 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ksq h LEU 367 CO -0.01 1.12 0.19 0.28 0.09 0.00 0.00 178.44 180.10 3ksq h SER 368 N 0.69 0.33 -0.18 -0.43 0.02 -0.94 -0.80 113.55 112.24 3ksq h SER 368 Ca 0.07 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3ksq h SER 368 Cb 0.88 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3ksq h SER 368 CO 0.08 0.24 -0.08 1.23 -1.14 0.00 0.00 176.83 177.15 3ksq h GLY 369 N 0.38 0.57 0.91 -3.77 0.00 -0.88 -2.28 103.07 98.00 3ksq h GLY 369 Ca 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3ksq h GLY 369 CO -0.02 0.35 0.09 -2.00 0.00 0.00 0.00 176.54 174.96 3ksq h LEU 370 N 0.50 0.47 -0.68 3.11 5.85 -0.56 -1.74 115.31 122.25 3ksq h LEU 370 Ca 0.10 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3ksq h LEU 370 Cb 0.45 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3ksq h LEU 370 CO 0.02 0.56 0.42 -1.28 -0.34 0.00 0.00 178.44 177.83 3ksq h SER 371 N 0.36 0.69 -0.37 1.25 0.87 -0.85 -0.87 113.55 114.62 3ksq h SER 371 Ca 0.10 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3ksq h SER 371 Cb 0.27 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3ksq h SER 371 CO -0.00 0.47 0.16 0.40 -0.53 0.00 0.00 176.83 177.33 3ksq h ILE 372 N 0.82 1.18 0.00 2.23 2.04 -1.34 -1.19 117.51 121.25 3ksq h ILE 372 Ca 0.28 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3ksq h ILE 372 Cb 0.04 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3ksq h ILE 372 CO -0.11 0.19 -0.20 0.00 0.00 0.00 0.00 178.15 178.03 3ksq h ALA 373 N 1.01 1.39 0.12 1.87 0.00 -0.96 -3.14 119.26 119.56 3ksq h ALA 373 Ca 0.13 -0.18 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 3ksq h ALA 373 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ksq h ALA 373 CO -0.01 0.25 -1.60 1.96 0.00 0.00 0.00 179.25 179.85 3ksq h GLN 374 N 0.00 0.26 -4.57 0.00 4.20 -0.76 -3.42 115.11 110.82 3ksq h GLN 374 Ca -0.00 -0.45 -0.70 0.00 0.06 0.00 0.00 58.65 57.56 3ksq h GLN 374 Cb 0.44 0.17 -0.31 0.00 0.30 0.00 0.00 27.48 28.08 3ksq h GLN 374 CO 0.03 1.13 -0.56 -1.01 -0.67 0.00 0.00 178.83 177.74 3ksq s HIS 375 N -2.61 3.38 0.01 2.96 3.76 -0.49 -0.93 115.29 121.37 3ksq s HIS 375 Ca -0.11 -1.82 -0.07 0.00 -0.15 0.00 0.00 55.06 52.92 3ksq s HIS 375 Cb 0.07 -2.73 -0.05 0.00 1.11 0.00 0.00 32.58 30.98 3ksq s HIS 375 CO 0.85 -0.85 0.27 0.12 -0.85 0.00 0.00 174.74 174.27 3ksq s PHE 376 N 1.31 3.58 -0.28 1.40 5.36 -0.25 -4.80 117.98 124.29 3ksq s PHE 376 Ca 0.02 0.57 -0.16 0.00 -0.96 0.00 0.00 56.93 56.41 3ksq s PHE 376 Cb -0.22 -1.99 0.09 0.00 -0.34 0.00 0.00 43.02 40.57 3ksq s PHE 376 CO -0.00 0.61 0.72 0.20 -1.46 0.00 0.00 175.22 175.29 3ksq s GLY 377 N -1.69 -0.58 -0.37 13.12 0.00 -1.26 -1.98 107.32 114.55 3ksq s GLY 377 Ca 0.27 2.50 0.04 0.00 0.00 0.00 0.00 44.72 47.54 3ksq s GLY 377 CO 0.16 2.48 0.44 -0.45 0.00 0.00 0.00 173.10 175.73 3ksq s SER 378 N 1.70 0.43 1.20 1.64 0.15 -0.62 -5.01 113.70 113.19 3ksq s SER 378 Ca -0.10 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.28 3ksq s SER 378 Cb -0.05 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 3ksq s SER 378 CO -0.19 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.61 3ksq n GLY 379 N 4.38 1.48 0.07 9.45 0.00 -1.26 -2.55 105.19 116.76 3ksq n GLY 379 Ca 0.10 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3ksq n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksq h ALA 380 N -0.43 0.35 -2.73 4.61 0.00 -2.01 -3.46 119.26 115.59 3ksq h ALA 380 Ca 0.00 -0.94 -0.52 0.00 0.00 0.00 0.00 54.91 53.45 3ksq h ALA 380 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ksq h ALA 380 CO 0.00 1.24 0.57 -1.64 0.00 0.00 0.00 179.25 179.42 3ksq s MET 381 N -2.70 4.48 -0.11 0.00 1.00 -1.06 -5.06 119.30 115.86 3ksq s MET 381 Ca 0.00 1.95 -0.04 0.00 0.00 0.00 0.00 55.69 57.60 3ksq s MET 381 Cb 0.10 -3.19 0.06 0.00 0.00 0.00 0.00 34.83 31.79 3ksq s MET 381 CO 0.83 -0.07 0.23 -0.51 0.00 0.00 0.00 175.02 175.49 3ksq s LEU 382 N -0.70 -0.05 -0.11 -0.03 2.01 -1.26 -1.59 118.68 116.95 3ksq s LEU 382 Ca 0.51 0.50 -0.05 0.00 0.01 0.00 0.00 54.13 55.11 3ksq s LEU 382 Cb -0.34 0.59 0.05 0.00 0.01 0.00 0.00 46.19 46.50 3ksq s LEU 382 CO 0.40 -0.22 0.23 -2.28 1.01 0.00 0.00 176.35 175.49 3ksq s HIS 383 N 2.09 -0.33 -0.07 0.29 2.46 -0.84 -5.01 115.29 113.88 3ksq s HIS 383 Ca -0.01 0.81 -0.03 0.00 0.47 0.00 0.00 55.06 56.29 3ksq s HIS 383 Cb -0.12 -0.04 -0.04 0.00 -0.13 0.00 0.00 32.58 32.25 3ksq s HIS 383 CO -0.08 -0.28 0.08 -0.51 -2.47 0.00 0.00 174.74 171.48 3ksq s ASP 384 N 1.86 5.77 -0.30 9.88 -0.00 -1.26 -1.09 116.67 131.52 3ksq s ASP 384 Ca -0.03 0.26 0.02 0.00 -0.00 0.00 0.00 52.55 52.79 3ksq s ASP 384 Cb -0.11 -1.73 0.09 0.00 -0.00 0.00 0.00 42.92 41.17 3ksq s ASP 384 CO -0.08 0.35 0.03 -0.69 -0.00 0.00 0.00 175.17 174.79 3ksq s VAL 385 N -1.04 1.69 -0.40 -1.27 1.01 -0.10 -5.02 120.40 115.27 3ksq s VAL 385 Ca 0.17 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.34 3ksq s VAL 385 Cb -0.12 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.20 3ksq s VAL 385 CO 0.07 -0.48 0.19 -0.69 0.00 0.00 0.00 175.10 174.19 3ksq s VAL 386 N 1.23 3.37 0.42 2.92 1.01 -1.26 -4.19 120.40 123.90 3ksq s VAL 386 Ca 0.06 -1.90 -0.23 0.00 0.00 0.00 0.00 61.98 59.91 3ksq s VAL 386 Cb -0.19 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 3ksq s VAL 386 CO -0.12 -0.60 1.08 -0.04 0.00 0.00 0.00 175.10 175.41 3ksq s MET 387 N 1.19 4.05 3.15 2.72 -1.94 -1.26 -4.84 119.30 122.37 3ksq s MET 387 Ca 0.06 1.56 0.00 0.00 -1.71 0.00 0.00 55.69 55.60 3ksq s MET 387 Cb -0.23 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.13 3ksq s MET 387 CO -0.03 -0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.13 3ksq n GLY 388 N 0.32 -0.01 3.78 -0.03 0.00 -1.26 -4.85 105.19 103.13 3ksq n GLY 388 Ca 0.06 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3ksq n GLY 388 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ksq n VAL 389 N 0.00 1.97 0.32 1.61 0.24 -0.91 -4.92 118.33 116.64 3ksq n VAL 389 Ca 0.00 -0.49 0.18 0.00 -2.04 0.00 0.00 64.34 61.99 3ksq n VAL 389 Cb 0.00 -1.98 1.05 0.00 -1.47 0.00 0.00 33.84 31.44 3ksq n VAL 389 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3ksq h PRO 390 N 3.01 0.00 0.00 7.34 0.13 -1.89 -1.40 132.00 139.19 3ksq h PRO 390 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3ksq h PRO 390 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ksq h PRO 390 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 3ksq n GLU 391 N -3.52 0.03 0.27 0.86 4.71 -1.26 -2.36 120.64 119.37 3ksq n GLU 391 Ca -0.03 0.41 0.17 0.00 -0.01 0.00 0.00 57.16 57.70 3ksq n GLU 391 Cb 0.08 -1.56 0.65 0.00 -1.01 0.00 0.00 31.44 29.59 3ksq n GLU 391 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3ksq h ASN 392 N 0.00 0.00 -2.08 1.62 2.35 -1.58 -3.46 115.58 112.43 3ksq h ASN 392 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 3ksq h ASN 392 Cb 0.12 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.53 3ksq h ASN 392 CO 0.00 0.01 0.93 0.55 -1.65 0.00 0.00 177.43 177.26 3ksq n VAL 393 N -3.10 0.29 -3.28 2.81 3.14 -0.99 -4.96 118.33 112.24 3ksq n VAL 393 Ca 0.01 -0.05 -0.18 0.00 -2.96 0.00 0.00 64.34 61.15 3ksq n VAL 393 Cb 0.32 -1.64 0.00 0.00 -1.06 0.00 0.00 33.84 31.47 3ksq n VAL 393 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3ksq s LEU 394 N 2.52 3.84 0.42 6.55 1.43 -1.26 -5.02 118.68 127.15 3ksq s LEU 394 Ca 0.87 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 53.47 3ksq s LEU 394 Cb -0.72 -2.74 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 3ksq s LEU 394 CO 0.46 -0.57 1.16 -1.10 0.23 0.00 0.00 176.35 176.53 3ksq s GLN 395 N -4.26 3.95 0.79 1.70 -1.52 -0.24 -5.00 119.66 115.08 3ksq s GLN 395 Ca 0.49 1.78 -0.10 0.00 -1.95 0.00 0.00 55.36 55.58 3ksq s GLN 395 Cb -0.10 -2.56 0.07 0.00 -0.22 0.00 0.00 33.01 30.20 3ksq s GLN 395 CO 0.32 -0.39 1.10 -1.25 -0.25 0.00 0.00 175.29 174.82 3ksq s PRO 396 N -2.47 2.13 0.04 2.91 0.04 -1.26 -4.82 135.00 131.58 3ksq s PRO 396 Ca 0.60 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.89 3ksq s PRO 396 Cb -0.29 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3ksq s PRO 396 CO 0.36 -1.74 -0.19 -0.08 0.04 0.00 0.00 177.00 175.40 3ksq s THR 397 N -2.89 1.51 -0.10 1.26 -1.32 -1.26 -4.36 115.64 108.49 3ksq s THR 397 Ca 0.62 -1.13 -0.30 0.00 -1.21 0.00 0.00 61.69 59.67 3ksq s THR 397 Cb -0.18 -1.33 -0.03 0.00 -1.51 0.00 0.00 72.50 69.46 3ksq s THR 397 CO 0.56 0.16 1.30 -2.28 -2.21 0.00 0.00 174.62 172.16 3ksq s HIS 398 N -0.79 2.86 0.19 9.09 2.46 0.37 -4.79 115.29 124.67 3ksq s HIS 398 Ca 0.06 0.96 0.35 0.00 0.47 0.00 0.00 55.06 56.90 3ksq s HIS 398 Cb -0.08 -3.54 1.70 0.00 -0.13 0.00 0.00 32.58 30.52 3ksq s HIS 398 CO 0.02 -1.91 2.05 -1.00 -2.47 0.00 0.00 174.74 171.43 3ksq h PRO 399 N 8.08 0.00 0.00 2.88 0.13 -1.92 0.70 132.00 141.87 3ksq h PRO 399 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 3ksq h PRO 399 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3ksq h PRO 399 CO 0.93 0.00 -0.37 0.28 -0.23 0.00 0.00 178.00 178.62 3ksq h VAL 400 N 0.00 1.19 0.00 1.56 2.07 -1.91 -3.41 116.25 115.74 3ksq h VAL 400 Ca 0.00 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.50 3ksq h VAL 400 Cb 0.21 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3ksq h VAL 400 CO 0.00 0.40 -1.41 -1.22 0.02 0.00 0.00 177.57 175.37 3ksq n TYR 401 N -4.59 0.58 -3.67 1.57 4.02 -1.18 -4.97 117.16 108.91 3ksq n TYR 401 Ca -0.14 0.17 -0.23 0.00 -0.01 0.00 0.00 57.90 57.69 3ksq n TYR 401 Cb 0.45 -0.77 0.05 0.00 -0.02 0.00 0.00 39.34 39.05 3ksq n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3ksq n ASN 402 N -2.51 -3.30 -4.16 7.72 5.15 0.23 -5.01 115.26 113.39 3ksq n ASN 402 Ca -0.02 -0.71 -0.10 0.00 -0.60 0.00 0.00 54.58 53.16 3ksq n ASN 402 Cb 0.56 -4.46 -0.10 0.00 -0.53 0.00 0.00 39.78 35.25 3ksq n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3ksq s ILE 403 N -3.44 0.36 0.19 -1.44 -4.36 -1.26 -4.90 121.20 106.34 3ksq s ILE 403 Ca 0.28 -1.90 -0.33 0.00 -0.26 0.00 0.00 60.65 58.44 3ksq s ILE 403 Cb -0.13 -1.86 -0.14 0.00 1.25 0.00 0.00 42.46 41.57 3ksq s ILE 403 CO 0.78 -0.68 1.38 0.61 0.24 0.00 0.00 174.94 177.27 3ksq n GLY 404 N -0.06 0.65 0.41 6.27 0.00 -1.26 -0.48 105.19 110.72 3ksq n GLY 404 Ca -0.09 0.57 0.22 0.00 0.00 0.00 0.00 46.02 46.72 3ksq n GLY 404 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ksq h PRO 405 N 4.46 0.12 -0.43 1.61 0.11 -1.87 -0.06 132.00 135.94 3ksq h PRO 405 Ca -0.45 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3ksq h PRO 405 Cb 1.29 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3ksq h PRO 405 CO 0.78 0.08 -0.15 0.38 -0.21 0.00 0.00 178.00 178.88 3ksq h ASP 406 N 0.13 0.80 -0.21 -2.05 2.03 -1.94 -1.80 116.42 113.37 3ksq h ASP 406 Ca 0.36 -0.26 -0.13 0.00 -0.73 0.00 0.00 57.03 56.27 3ksq h ASP 406 Cb 1.26 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 3ksq h ASP 406 CO -0.05 0.95 -0.34 0.11 -1.03 0.00 0.00 179.24 178.88 3ksq h LYS 407 N 0.71 0.73 0.53 4.15 1.79 -1.35 -0.75 116.57 122.39 3ksq h LYS 407 Ca 0.11 -0.35 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 3ksq h LYS 407 Cb 0.65 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.30 3ksq h LYS 407 CO 0.05 0.97 -0.26 0.28 -1.08 0.00 0.00 179.45 179.41 3ksq h VAL 408 N 0.61 0.44 -0.30 0.50 2.07 -1.20 -0.95 116.25 117.43 3ksq h VAL 408 Ca 0.06 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.46 3ksq h VAL 408 Cb 0.87 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 3ksq h VAL 408 CO 0.08 0.03 -0.15 0.40 0.02 0.00 0.00 177.57 177.94 3ksq h ILE 409 N -0.84 0.53 -0.32 4.57 2.04 -1.32 0.20 117.51 122.37 3ksq h ILE 409 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3ksq h ILE 409 Cb 0.60 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3ksq h ILE 409 CO 0.12 0.00 0.16 -0.61 0.00 0.00 0.00 178.15 177.82 3ksq h GLN 410 N -0.11 0.46 -0.32 2.37 4.15 -1.13 -0.98 115.11 119.55 3ksq h GLN 410 Ca 0.16 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 3ksq h GLN 410 Cb 0.35 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3ksq h GLN 410 CO -0.37 0.42 0.05 0.00 -1.93 0.00 0.00 178.83 176.99 3ksq h ALA 411 N 1.02 0.42 -0.47 3.38 0.00 -0.87 -0.91 119.26 121.83 3ksq h ALA 411 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ksq h ALA 411 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ksq h ALA 411 CO -0.01 0.12 0.27 1.79 0.00 0.00 0.00 179.25 181.42 3ksq h THR 412 N 0.35 1.16 -0.55 0.00 1.35 -0.84 0.43 112.91 114.81 3ksq h THR 412 Ca 0.10 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 3ksq h THR 412 Cb 0.35 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 3ksq h THR 412 CO 0.01 0.16 0.30 0.74 -0.25 0.00 0.00 175.52 176.48 3ksq h THR 413 N 0.63 1.18 -0.20 6.82 2.02 -1.16 0.14 112.91 122.33 3ksq h THR 413 Ca 0.17 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3ksq h THR 413 Cb 0.02 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3ksq h THR 413 CO -0.03 0.19 0.04 -0.74 0.37 0.00 0.00 175.52 175.35 3ksq h HIS 414 N 0.73 0.34 0.00 3.16 6.17 -0.63 -3.16 115.15 121.77 3ksq h HIS 414 Ca 0.19 -0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.20 3ksq h HIS 414 Cb 0.04 -0.10 -0.00 0.00 2.52 0.00 0.00 27.41 29.87 3ksq h HIS 414 CO -0.02 0.47 -0.15 0.74 0.71 0.00 0.00 177.93 179.68 3ksq h PHE 415 N 0.12 0.00 0.00 5.26 -1.00 -0.73 -2.92 116.94 117.67 3ksq h PHE 415 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3ksq h PHE 415 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3ksq h PHE 415 CO 0.02 0.15 0.00 -0.07 -1.61 0.00 0.00 178.31 176.80 3ksq h LEU 416 N 0.00 0.00 -0.84 1.54 3.38 -0.93 -2.52 115.31 115.94 3ksq h LEU 416 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ksq h LEU 416 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ksq h LEU 416 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3ksq n GLN 417 N -2.46 1.54 -4.71 1.13 10.64 -1.10 -4.79 117.38 117.63 3ksq n GLN 417 Ca 0.01 -0.82 -0.31 0.00 -1.83 0.00 0.00 57.00 54.06 3ksq n GLN 417 Cb 0.24 -1.28 -0.13 0.00 -0.86 0.00 0.00 30.24 28.20 3ksq n GLN 417 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3ksq s LYS 418 N -1.77 2.01 0.60 2.61 1.02 -0.95 -5.13 119.74 118.13 3ksq s LYS 418 Ca 0.24 -1.01 -0.15 0.00 0.02 0.00 0.00 55.97 55.07 3ksq s LYS 418 Cb 0.12 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3ksq s LYS 418 CO 0.18 0.53 1.04 -1.25 -0.92 0.00 0.00 175.35 174.94 3ksq s PRO 419 N -1.39 3.41 0.11 -1.68 0.04 -1.26 -4.98 135.00 129.24 3ksq s PRO 419 Ca 0.14 1.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 3ksq s PRO 419 Cb -0.10 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3ksq s PRO 419 CO 0.04 -0.72 1.66 0.08 0.04 0.00 0.00 177.00 178.10 3ksq s VAL 420 N -2.66 2.83 0.48 -0.36 1.01 -1.26 -4.92 120.40 115.53 3ksq s VAL 420 Ca 0.61 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 3ksq s VAL 420 Cb -0.14 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 3ksq s VAL 420 CO 0.40 0.01 1.15 -2.65 0.00 0.00 0.00 175.10 174.01 3ksq n PRO 421 N 5.14 1.51 -2.09 2.72 -0.02 -1.26 -5.02 135.00 135.97 3ksq n PRO 421 Ca 0.16 0.55 -0.27 0.00 -2.02 0.00 0.00 63.50 61.91 3ksq n PRO 421 Cb 0.39 -2.28 0.18 0.00 -0.02 0.00 0.00 33.50 31.77 3ksq n PRO 421 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksq n GLY 422 N 1.00 -0.85 0.00 -1.23 0.00 -1.26 -5.01 105.19 97.84 3ksq n GLY 422 Ca 0.10 -1.81 0.16 0.00 0.00 0.00 0.00 46.02 44.47 3ksq n GLY 422 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01