#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sus s SER 22 N 0.00 0.78 0.00 4.39 1.04 -1.26 -5.07 113.70 113.58 1sus s SER 22 Ca 0.00 -1.46 0.27 0.00 0.48 0.00 0.00 55.95 55.24 1sus s SER 22 Cb 0.00 0.74 0.81 0.00 0.10 0.00 0.00 66.02 67.67 1sus s SER 22 CO 0.00 -1.46 1.60 0.18 0.98 0.00 0.00 173.24 174.54 1sus n LEU 23 N -0.59 0.70 0.00 2.42 4.77 -1.26 -4.93 117.00 118.11 1sus n LEU 23 Ca -0.02 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 1sus n LEU 23 Cb 0.61 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.62 1sus n LEU 23 CO 0.30 0.14 0.41 0.18 -1.33 0.00 0.00 177.39 177.08 1sus n LEU 24 N -1.01 0.00 0.09 2.23 4.77 -1.26 -5.00 117.00 116.83 1sus n LEU 24 Ca 0.10 -0.70 -0.15 0.00 -0.03 0.00 0.00 56.01 55.23 1sus n LEU 24 Cb 0.33 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1sus n LEU 24 CO 0.28 -1.20 -0.09 0.06 -1.33 0.00 0.00 177.39 175.11 1sus h GLN 25 N 0.00 0.25 -4.28 3.23 3.07 -2.00 -3.47 115.11 111.91 1sus h GLN 25 Ca -0.22 -0.42 -0.27 0.00 0.09 0.00 0.00 58.65 57.83 1sus h GLN 25 Cb 0.63 0.16 -0.24 0.00 0.08 0.00 0.00 27.48 28.10 1sus h GLN 25 CO 0.15 1.18 -0.73 -1.54 0.09 0.00 0.00 178.83 177.98 1sus s SER 26 N -7.08 0.57 0.57 0.06 1.04 -1.26 -5.00 113.70 102.59 1sus s SER 26 Ca -0.04 -0.32 0.33 0.00 0.48 0.00 0.00 55.95 56.40 1sus s SER 26 Cb 0.07 0.01 1.69 0.00 0.10 0.00 0.00 66.02 67.89 1sus s SER 26 CO 0.87 -0.10 2.14 0.44 0.98 0.00 0.00 173.24 177.57 1sus h ASP 27 N 5.24 0.00 -0.07 7.02 3.32 -1.97 -1.65 116.42 128.30 1sus h ASP 27 Ca -0.31 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.50 1sus h ASP 27 Cb 1.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.76 1sus h ASP 27 CO 0.45 0.06 -0.87 0.00 -1.72 0.00 0.00 179.24 177.16 1sus h ALA 28 N 1.94 0.27 -0.49 3.45 0.00 -1.98 -1.36 119.26 121.09 1sus h ALA 28 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1sus h ALA 28 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sus h ALA 28 CO 0.01 0.69 0.21 1.25 0.00 0.00 0.00 179.25 181.41 1sus h LEU 29 N 0.48 0.66 0.19 0.00 6.46 -1.73 0.77 115.31 122.15 1sus h LEU 29 Ca -0.08 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1sus h LEU 29 Cb 1.50 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1sus h LEU 29 CO 0.17 0.64 -0.14 0.22 -0.62 0.00 0.00 178.44 178.71 1sus h TYR 30 N 0.64 -0.35 -0.53 1.25 3.20 -1.44 -2.62 116.97 117.12 1sus h TYR 30 Ca 0.16 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1sus h TYR 30 Cb 0.17 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 1sus h TYR 30 CO 0.00 -0.21 0.20 1.96 -1.64 0.00 0.00 178.16 178.47 1sus h GLN 31 N -0.33 0.37 -0.91 1.82 1.08 -0.92 -0.98 115.11 115.24 1sus h GLN 31 Ca -0.01 -0.02 0.19 0.00 -1.45 0.00 0.00 58.65 57.35 1sus h GLN 31 Cb 0.29 -0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 27.52 1sus h GLN 31 CO 0.00 0.24 0.47 -0.92 -0.95 0.00 0.00 178.83 177.68 1sus h TYR 32 N 0.38 0.81 -0.25 2.96 3.20 -0.55 0.39 116.97 123.90 1sus h TYR 32 Ca 0.26 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1sus h TYR 32 Cb 0.28 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1sus h TYR 32 CO -0.16 0.10 0.08 0.82 -1.64 0.00 0.00 178.16 177.37 1sus h ILE 33 N 0.57 1.19 0.32 1.81 2.04 -0.85 -1.72 117.51 120.88 1sus h ILE 33 Ca 0.53 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1sus h ILE 33 Cb 0.89 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1sus h ILE 33 CO -0.43 0.20 -0.15 -0.07 0.00 0.00 0.00 178.15 177.69 1sus h LEU 34 N 0.24 -0.37 -1.44 1.44 3.38 -0.21 0.36 115.31 118.71 1sus h LEU 34 Ca 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1sus h LEU 34 Cb 0.22 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1sus h LEU 34 CO -0.00 -0.20 -0.09 -0.33 0.09 0.00 0.00 178.44 177.90 1sus h GLU 35 N -0.51 0.25 0.00 1.13 4.39 -0.38 0.29 114.58 119.75 1sus h GLU 35 Ca -0.04 -0.05 -0.32 0.00 0.34 0.00 0.00 59.36 59.28 1sus h GLU 35 Cb 0.38 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1sus h GLU 35 CO 0.07 0.36 -2.22 0.25 -1.16 0.00 0.00 179.01 176.31 1sus n THR 36 N -4.30 1.20 0.23 1.13 -2.24 -0.65 -4.55 114.28 105.10 1sus n THR 36 Ca -0.01 -0.75 0.04 0.00 -2.27 0.00 0.00 64.05 61.06 1sus n THR 36 Cb 0.24 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 67.91 1sus n THR 36 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sus n SER 37 N -2.65 1.45 0.01 3.42 7.64 0.13 -4.86 113.62 118.76 1sus n SER 37 Ca -0.29 -0.42 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 1sus n SER 37 Cb 1.07 1.15 -0.00 0.00 -1.01 0.00 0.00 64.21 65.42 1sus n SER 37 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1sus n VAL 38 N -1.43 0.41 -0.30 0.44 0.31 -0.44 -4.85 118.33 112.48 1sus n VAL 38 Ca 0.00 0.18 0.13 0.00 -0.01 0.00 0.00 64.34 64.64 1sus n VAL 38 Cb 0.16 -1.30 0.29 0.00 -0.91 0.00 0.00 33.84 32.08 1sus n VAL 38 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1sus h PHE 39 N -0.06 0.50 -3.74 3.52 0.04 -1.28 -3.37 116.94 112.54 1sus h PHE 39 Ca 0.00 0.04 -0.51 0.00 2.80 0.00 0.00 57.97 60.31 1sus h PHE 39 Cb 0.06 -0.08 0.02 0.00 2.20 0.00 0.00 35.95 38.15 1sus h PHE 39 CO -0.03 -0.12 0.50 -2.14 -0.60 0.00 0.00 178.31 175.92 1sus s PRO 40 N -5.91 4.60 -0.78 1.51 0.02 -1.26 -3.77 135.00 129.40 1sus s PRO 40 Ca -0.12 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 62.73 1sus s PRO 40 Cb 0.25 -3.20 -0.00 0.00 0.02 0.00 0.00 34.50 31.57 1sus s PRO 40 CO 0.77 0.13 0.71 0.54 -0.33 0.00 0.00 177.00 178.82 1sus n ARG 41 N 1.46 -1.41 -2.74 5.54 1.74 -1.26 -4.94 116.66 115.05 1sus n ARG 41 Ca 0.00 1.35 -0.10 0.00 -0.77 0.00 0.00 57.85 58.33 1sus n ARG 41 Cb 0.45 -5.33 0.04 0.00 -1.02 0.00 0.00 32.46 26.60 1sus n ARG 41 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1sus n GLU 42 N -2.02 1.12 0.00 5.56 0.28 -1.25 -4.96 120.64 119.38 1sus n GLU 42 Ca -0.04 -2.93 0.00 0.00 -0.16 0.00 0.00 57.16 54.02 1sus n GLU 42 Cb 0.53 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.34 1sus n GLU 42 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1sus n HIS 43 N -0.10 0.00 0.00 -1.84 -0.00 -1.26 -4.38 115.22 107.64 1sus n HIS 43 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1sus n HIS 43 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.79 1sus n HIS 43 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1sus n GLU 44 N 0.00 0.00 -0.09 1.57 0.28 -1.26 -4.90 120.64 116.25 1sus n GLU 44 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1sus n GLU 44 Cb 0.00 0.00 0.51 0.00 1.43 0.00 0.00 31.44 33.38 1sus n GLU 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sus h ALA 45 N 0.00 2.04 0.05 -1.84 0.00 -1.95 0.71 119.26 118.27 1sus h ALA 45 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sus h ALA 45 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sus h ALA 45 CO 0.00 -0.18 -0.02 0.52 0.00 0.00 0.00 179.25 179.57 1sus h MET 46 N 0.40 -0.06 -0.49 0.00 2.86 -1.91 -0.63 114.93 115.10 1sus h MET 46 Ca 0.28 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.02 1sus h MET 46 Cb 0.58 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.18 1sus h MET 46 CO -0.08 0.26 0.04 -0.22 1.06 0.00 0.00 176.91 177.97 1sus h LYS 47 N -0.39 0.16 0.44 1.72 3.64 -0.86 0.37 116.57 121.65 1sus h LYS 47 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1sus h LYS 47 Cb 0.35 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1sus h LYS 47 CO 0.01 0.10 -0.38 0.93 -2.27 0.00 0.00 179.45 177.84 1sus h GLU 48 N 0.16 -0.77 -0.99 1.90 5.08 0.44 -1.74 114.58 118.65 1sus h GLU 48 Ca 0.24 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.75 1sus h GLU 48 Cb 0.35 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1sus h GLU 48 CO -0.37 -0.52 0.64 1.25 -1.00 0.00 0.00 179.01 179.01 1sus h LEU 49 N -0.80 0.96 -1.98 1.33 5.85 -0.78 0.19 115.31 120.09 1sus h LEU 49 Ca -0.06 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1sus h LEU 49 Cb 0.68 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1sus h LEU 49 CO -0.02 0.56 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.46 1sus h ARG 50 N 1.06 0.00 0.11 1.25 2.43 -0.09 -0.88 114.38 118.26 1sus h ARG 50 Ca 0.46 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.45 1sus h ARG 50 Cb 0.35 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1sus h ARG 50 CO -0.22 0.10 -0.78 0.93 -1.51 0.00 0.00 179.97 178.49 1sus h GLU 51 N 0.00 0.34 -0.45 0.20 5.08 0.24 -2.94 114.58 117.04 1sus h GLU 51 Ca -0.00 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1sus h GLU 51 Cb 0.21 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1sus h GLU 51 CO 0.01 1.21 0.30 0.28 -1.00 0.00 0.00 179.01 179.82 1sus h VAL 52 N -0.28 1.12 -0.30 3.13 2.07 -0.75 -2.81 116.25 118.42 1sus h VAL 52 Ca -0.13 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1sus h VAL 52 Cb 1.57 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1sus h VAL 52 CO 0.15 0.12 0.06 0.74 0.02 0.00 0.00 177.57 178.65 1sus h THR 53 N 0.61 1.15 -0.34 2.57 2.02 -1.26 -2.60 112.91 115.08 1sus h THR 53 Ca 0.17 -0.56 0.10 0.00 0.77 0.00 0.00 66.41 66.89 1sus h THR 53 Cb -0.07 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1sus h THR 53 CO -0.04 0.20 0.27 0.00 0.37 0.00 0.00 175.52 176.32 1sus h ALA 54 N 1.63 2.21 0.00 6.16 0.00 -1.30 -0.55 119.26 127.41 1sus h ALA 54 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sus h ALA 54 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sus h ALA 54 CO -0.00 -0.44 0.00 -0.22 0.00 0.00 0.00 179.25 178.59 1sus h LYS 55 N 0.00 0.00 -6.81 0.00 3.11 -1.55 -3.46 116.57 107.86 1sus h LYS 55 Ca 0.16 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.52 1sus h LYS 55 Cb 0.70 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 1sus h LYS 55 CO -0.00 0.00 0.26 -1.58 -2.81 0.00 0.00 179.45 175.32 1sus s HIS 56 N -3.24 3.61 0.17 1.91 2.46 -0.22 -5.01 115.29 114.99 1sus s HIS 56 Ca 0.07 1.62 -0.15 0.00 0.47 0.00 0.00 55.06 57.07 1sus s HIS 56 Cb 0.07 -2.81 0.14 0.00 -0.13 0.00 0.00 32.58 29.85 1sus s HIS 56 CO 0.63 0.20 1.70 -1.35 -2.47 0.00 0.00 174.74 173.44 1sus h PRO 57 N 3.03 0.12 -0.76 2.88 0.11 -1.89 -2.93 132.00 132.56 1sus h PRO 57 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1sus h PRO 57 Cb 1.19 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1sus h PRO 57 CO 0.65 0.08 0.04 0.91 -0.21 0.00 0.00 178.00 179.46 1sus n TRP 58 N -5.19 1.41 0.13 0.65 8.01 -1.26 -4.54 117.44 116.65 1sus n TRP 58 Ca 0.04 -0.56 0.04 0.00 -1.31 0.00 0.00 57.50 55.71 1sus n TRP 58 Cb 0.22 -0.40 0.22 0.00 -2.01 0.00 0.00 31.31 29.34 1sus n TRP 58 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 1sus n ASN 59 N 0.31 0.21 0.25 -0.99 0.23 -1.11 -0.86 115.26 113.30 1sus n ASN 59 Ca 0.20 0.43 0.17 0.00 -0.53 0.00 0.00 54.58 54.85 1sus n ASN 59 Cb 0.90 -0.36 0.85 0.00 -2.08 0.00 0.00 39.78 39.09 1sus n ASN 59 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1sus h ILE 60 N 0.00 0.00 0.00 1.53 2.10 -1.88 -2.36 117.51 116.91 1sus h ILE 60 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1sus h ILE 60 Cb 0.72 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1sus h ILE 60 CO 0.00 0.00 -0.76 0.24 -1.08 0.00 0.00 178.15 176.55 1sus h MET 61 N 0.00 0.00 -6.87 2.19 2.86 -1.40 -3.47 114.93 108.24 1sus h MET 61 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1sus h MET 61 Cb 0.14 0.00 0.15 0.00 0.06 0.00 0.00 31.60 31.95 1sus h MET 61 CO 0.00 0.00 0.32 -2.37 1.06 0.00 0.00 176.91 175.92 1sus n THR 62 N -2.73 3.49 -2.99 2.22 5.66 -0.89 -4.94 114.28 114.11 1sus n THR 62 Ca 0.01 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.19 1sus n THR 62 Cb 0.54 -1.35 -0.05 0.00 -1.55 0.00 0.00 70.33 67.91 1sus n THR 62 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1sus s THR 63 N -1.38 4.66 0.72 1.09 -4.23 -1.26 -5.04 115.64 110.20 1sus s THR 63 Ca 0.72 0.96 -0.14 0.00 -1.18 0.00 0.00 61.69 62.05 1sus s THR 63 Cb -0.45 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 69.79 1sus s THR 63 CO 0.50 -0.31 1.14 -0.94 -0.54 0.00 0.00 174.62 174.47 1sus s SER 64 N -2.50 4.51 0.20 3.99 1.04 -1.26 -4.88 113.70 114.80 1sus s SER 64 Ca 0.55 2.11 -0.09 0.00 0.48 0.00 0.00 55.95 59.00 1sus s SER 64 Cb -0.10 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.59 1sus s SER 64 CO 0.21 -2.04 1.76 0.00 0.98 0.00 0.00 173.24 174.15 1sus h ALA 65 N -0.42 0.97 -0.50 5.32 0.00 -1.99 -1.57 119.26 121.07 1sus h ALA 65 Ca -0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1sus h ALA 65 Cb 1.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1sus h ALA 65 CO 0.51 0.61 0.25 0.38 0.00 0.00 0.00 179.25 181.00 1sus h ASP 66 N 1.08 0.62 1.09 0.00 2.03 -1.98 -0.53 116.42 118.74 1sus h ASP 66 Ca 0.25 -0.05 -0.15 0.00 -0.73 0.00 0.00 57.03 56.35 1sus h ASP 66 Cb 0.23 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.55 1sus h ASP 66 CO -0.02 0.53 -0.69 -0.08 -1.03 0.00 0.00 179.24 177.95 1sus h GLU 67 N 0.70 0.00 0.00 4.15 4.81 -1.85 -1.96 114.58 120.44 1sus h GLU 67 Ca 0.18 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1sus h GLU 67 Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1sus h GLU 67 CO -0.03 0.69 -0.53 0.78 -0.73 0.00 0.00 179.01 179.20 1sus h GLY 68 N 2.88 0.00 1.23 1.92 0.00 -0.71 -1.58 103.07 106.81 1sus h GLY 68 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 1sus h GLY 68 CO 0.09 0.00 -0.79 -1.61 0.00 0.00 0.00 176.54 174.23 1sus h GLN 69 N 0.00 0.75 -0.40 4.80 4.15 -1.01 -1.34 115.11 122.07 1sus h GLN 69 Ca -0.01 -0.63 -0.07 0.00 0.77 0.00 0.00 58.65 58.72 1sus h GLN 69 Cb 1.28 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.09 1sus h GLN 69 CO 0.07 1.23 -0.02 0.35 -1.93 0.00 0.00 178.83 178.53 1sus h PHE 70 N 0.51 0.79 -0.75 3.99 3.57 -1.22 -1.95 116.94 121.88 1sus h PHE 70 Ca -0.05 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.31 1sus h PHE 70 Cb 1.42 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1sus h PHE 70 CO 0.08 0.81 0.50 -0.07 -2.23 0.00 0.00 178.31 177.39 1sus h LEU 71 N 0.54 0.87 0.00 0.59 3.38 -1.26 -0.46 115.31 118.98 1sus h LEU 71 Ca 0.11 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1sus h LEU 71 Cb 0.50 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1sus h LEU 71 CO 0.02 0.63 -0.16 0.28 0.09 0.00 0.00 178.44 179.31 1sus h SER 72 N 1.02 -0.46 -0.13 -0.43 0.02 -1.02 0.08 113.55 112.64 1sus h SER 72 Ca 0.28 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.34 1sus h SER 72 Cb -0.11 0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 1sus h SER 72 CO -0.06 -0.22 -0.38 -0.03 -1.14 0.00 0.00 176.83 175.00 1sus h MET 73 N -0.26 -0.44 -0.53 3.45 1.85 -0.93 -1.64 114.93 116.42 1sus h MET 73 Ca 0.05 0.03 0.06 0.00 -0.61 0.00 0.00 59.70 59.23 1sus h MET 73 Cb 0.33 0.10 -0.05 0.00 0.43 0.00 0.00 31.60 32.41 1sus h MET 73 CO -0.15 -0.29 0.24 1.25 -0.40 0.00 0.00 176.91 177.56 1sus h LEU 74 N -0.46 0.32 0.02 3.39 5.85 -0.79 0.01 115.31 123.65 1sus h LEU 74 Ca 0.08 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1sus h LEU 74 Cb 0.60 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1sus h LEU 74 CO -0.38 0.22 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.76 1sus h LEU 75 N 0.47 -0.30 0.16 2.25 3.38 -0.59 -0.81 115.31 119.87 1sus h LEU 75 Ca 0.24 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.27 1sus h LEU 75 Cb 0.20 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1sus h LEU 75 CO -0.20 -0.15 -0.32 0.11 0.09 0.00 0.00 178.44 177.97 1sus h LYS 76 N -0.19 -0.55 -0.79 1.13 1.79 -0.86 -0.55 116.57 116.55 1sus h LYS 76 Ca 0.03 0.04 0.16 0.00 -2.18 0.00 0.00 60.65 58.70 1sus h LYS 76 Cb 0.23 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.90 1sus h LYS 76 CO -0.10 -0.37 0.32 -0.07 -1.08 0.00 0.00 179.45 178.16 1sus h LEU 77 N -0.57 0.29 -0.91 2.94 3.38 -0.76 0.12 115.31 119.79 1sus h LEU 77 Ca 0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sus h LEU 77 Cb 0.58 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1sus h LEU 77 CO -0.16 0.09 0.00 2.30 0.09 0.00 0.00 178.44 180.76 1sus n ILE 78 N -5.01 0.09 -4.08 1.22 -5.35 -0.33 -4.92 119.36 100.98 1sus n ILE 78 Ca 0.16 -0.26 -0.31 0.00 -0.27 0.00 0.00 62.75 62.07 1sus n ILE 78 Cb 0.46 0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 1sus n ILE 78 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sus n ASN 79 N 0.11 -2.00 -4.76 7.28 2.85 0.03 -4.91 115.26 113.86 1sus n ASN 79 Ca 0.18 -1.00 -0.36 0.00 -0.11 0.00 0.00 54.58 53.29 1sus n ASN 79 Cb 0.31 -2.96 0.01 0.00 1.24 0.00 0.00 39.78 38.39 1sus n ASN 79 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sus s ALA 80 N -3.62 2.72 0.00 5.20 0.00 -1.08 -4.96 121.76 120.02 1sus s ALA 80 Ca 0.39 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1sus s ALA 80 Cb -0.21 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1sus s ALA 80 CO 0.90 -0.92 0.00 1.17 0.00 0.00 0.00 175.76 176.91 1sus n LYS 81 N -1.18 0.00 -3.85 0.00 4.81 -1.26 -4.45 118.16 112.23 1sus n LYS 81 Ca 0.11 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.19 1sus n LYS 81 Cb 0.49 -0.72 -0.13 0.00 0.02 0.00 0.00 35.03 34.69 1sus n LYS 81 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1sus s ASN 82 N -3.50 4.70 0.27 3.14 2.47 -1.26 -1.06 114.94 119.69 1sus s ASN 82 Ca 0.00 -0.62 0.02 0.00 0.42 0.00 0.00 52.86 52.67 1sus s ASN 82 Cb 0.00 -1.79 -0.05 0.00 -1.45 0.00 0.00 41.25 37.96 1sus s ASN 82 CO 0.00 -0.12 0.11 0.42 -3.72 0.00 0.00 177.10 173.79 1sus s THR 83 N 1.46 0.51 0.01 -5.21 -4.23 0.10 -1.08 115.64 107.20 1sus s THR 83 Ca 0.03 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1sus s THR 83 Cb -0.16 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1sus s THR 83 CO -0.01 0.00 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.72 1sus s MET 84 N -3.99 0.24 -0.05 3.99 1.75 -0.79 -0.80 119.30 119.66 1sus s MET 84 Ca 0.37 -0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.52 1sus s MET 84 Cb 0.07 -0.10 0.02 0.00 2.84 0.00 0.00 34.83 37.66 1sus s MET 84 CO 0.14 0.02 -0.05 -2.00 -0.65 0.00 0.00 175.02 172.48 1sus s GLU 85 N -0.62 0.96 -0.35 4.11 2.12 0.31 -1.05 118.70 124.19 1sus s GLU 85 Ca -0.05 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 1sus s GLU 85 Cb -0.04 -0.96 0.07 0.00 0.26 0.00 0.00 34.13 33.46 1sus s GLU 85 CO -0.00 -0.09 0.09 0.42 -0.54 0.00 0.00 175.26 175.14 1sus s ILE 86 N 1.01 3.20 0.00 -3.70 1.01 -0.56 -0.89 121.20 121.27 1sus s ILE 86 Ca -0.09 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 58.93 1sus s ILE 86 Cb -0.14 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1sus s ILE 86 CO -0.00 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.20 1sus n GLY 87 N 4.63 0.55 0.10 6.18 0.00 0.14 -1.39 105.19 115.41 1sus n GLY 87 Ca -0.09 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1sus n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sus n VAL 88 N 0.00 1.51 -1.45 1.61 0.31 -1.25 -4.69 118.33 114.37 1sus n VAL 88 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1sus n VAL 88 Cb 0.00 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 1sus n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sus n TYR 89 N -4.44 0.00 0.00 3.52 9.36 -1.26 -2.44 117.16 121.90 1sus n TYR 89 Ca -0.31 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.91 1sus n TYR 89 Cb 0.64 -0.70 0.00 0.00 -0.63 0.00 0.00 39.34 38.64 1sus n TYR 89 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1sus n THR 90 N 1.86 0.00 0.00 2.97 -1.04 -1.03 -4.07 114.28 112.97 1sus n THR 90 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1sus n THR 90 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1sus n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sus n GLY 91 N 0.00 1.10 0.43 3.41 0.00 -1.02 -3.76 105.19 105.34 1sus n GLY 91 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1sus n GLY 91 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sus h TYR 92 N 0.00 -1.21 -0.67 1.61 5.03 -1.77 0.27 116.97 120.23 1sus h TYR 92 Ca 0.00 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.38 1sus h TYR 92 Cb 0.00 0.49 -0.05 0.00 1.55 0.00 0.00 36.73 38.72 1sus h TYR 92 CO 0.00 -0.56 0.39 0.77 -1.32 0.00 0.00 178.16 177.44 1sus h SER 93 N -0.76 0.59 0.38 -2.11 0.02 -1.90 -1.47 113.55 108.30 1sus h SER 93 Ca -0.01 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1sus h SER 93 Cb 0.73 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1sus h SER 93 CO -0.17 0.39 -0.47 0.25 -1.14 0.00 0.00 176.83 175.70 1sus h LEU 94 N 0.73 -1.30 -0.21 5.07 6.46 -1.76 0.26 115.31 124.56 1sus h LEU 94 Ca 0.29 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 58.21 1sus h LEU 94 Cb 0.13 0.45 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 1sus h LEU 94 CO -0.16 -0.60 -0.14 0.25 -0.62 0.00 0.00 178.44 177.18 1sus h LEU 95 N -0.88 -0.45 -0.60 2.25 6.46 -0.37 0.26 115.31 121.98 1sus h LEU 95 Ca -0.04 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.92 1sus h LEU 95 Cb 0.80 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 40.89 1sus h LEU 95 CO -0.11 -0.18 0.20 0.00 -0.62 0.00 0.00 178.44 177.73 1sus h ALA 96 N 1.01 0.76 -0.11 1.25 0.00 -0.98 -0.11 119.26 121.08 1sus h ALA 96 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sus h ALA 96 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1sus h ALA 96 CO -0.29 -0.22 0.06 1.15 0.00 0.00 0.00 179.25 179.95 1sus h THR 97 N 0.37 1.10 -0.15 0.00 2.02 0.12 -2.74 112.91 113.63 1sus h THR 97 Ca 0.31 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1sus h THR 97 Cb 0.40 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1sus h THR 97 CO -0.32 0.09 -0.12 0.00 0.37 0.00 0.00 175.52 175.53 1sus h ALA 98 N 0.95 1.53 0.00 6.16 0.00 0.04 -1.82 119.26 126.12 1sus h ALA 98 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sus h ALA 98 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sus h ALA 98 CO -0.01 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1sus n LEU 99 N -4.29 0.69 -0.07 0.00 4.77 -0.11 -3.94 117.00 114.04 1sus n LEU 99 Ca -0.01 0.58 -0.20 0.00 -0.03 0.00 0.00 56.01 56.36 1sus n LEU 99 Cb 0.26 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1sus n LEU 99 CO 0.38 -0.24 -1.10 0.00 -1.33 0.00 0.00 177.39 175.10 1sus n ALA 100 N -1.75 1.17 -1.73 -1.18 0.00 -0.74 -4.96 120.51 111.31 1sus n ALA 100 Ca 0.05 -0.86 -0.33 0.00 0.00 0.00 0.00 53.44 52.30 1sus n ALA 100 Cb 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 1sus n ALA 100 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1sus s ILE 101 N -2.53 3.94 1.01 0.00 -4.36 -0.87 -4.76 121.20 113.63 1sus s ILE 101 Ca -0.30 1.00 -0.16 0.00 -0.26 0.00 0.00 60.65 60.93 1sus s ILE 101 Cb 0.08 -3.46 0.01 0.00 1.25 0.00 0.00 42.46 40.34 1sus s ILE 101 CO 0.67 -0.47 -0.02 -0.81 0.24 0.00 0.00 174.94 174.55 1sus n PRO 102 N -1.66 -0.62 -0.09 0.37 -0.04 -1.26 -4.74 135.00 126.95 1sus n PRO 102 Ca 0.08 -0.16 0.20 0.00 -0.04 0.00 0.00 63.50 63.59 1sus n PRO 102 Cb 0.53 -1.63 0.63 0.00 -0.04 0.00 0.00 33.50 32.99 1sus n PRO 102 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1sus h GLU 103 N -1.60 0.14 -0.64 0.54 4.57 -1.94 0.88 114.58 116.53 1sus h GLU 103 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1sus h GLU 103 Cb 1.32 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1sus h GLU 103 CO 0.33 0.09 0.00 -0.40 -1.18 0.00 0.00 179.01 177.85 1sus n ASP 104 N -4.40 4.43 -4.75 1.04 5.75 -1.26 -4.94 116.55 112.41 1sus n ASP 104 Ca 0.13 -2.48 -0.32 0.00 -0.01 0.00 0.00 54.79 52.11 1sus n ASP 104 Cb 0.65 -0.57 0.08 0.00 -1.03 0.00 0.00 41.12 40.25 1sus n ASP 104 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1sus s GLY 105 N -0.80 1.94 -0.00 6.12 0.00 0.30 -5.00 107.32 109.87 1sus s GLY 105 Ca 0.45 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.67 1sus s GLY 105 CO 0.20 0.85 -0.04 0.54 0.00 0.00 0.00 173.10 174.66 1sus s LYS 106 N -4.45 0.30 -0.08 2.90 1.02 -0.23 -4.54 119.74 114.67 1sus s LYS 106 Ca 0.66 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.53 1sus s LYS 106 Cb -0.21 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.82 1sus s LYS 106 CO 0.49 0.07 -0.08 0.42 -0.92 0.00 0.00 175.35 175.33 1sus s ILE 107 N -0.02 0.95 -0.41 2.17 1.01 0.13 -0.72 121.20 124.31 1sus s ILE 107 Ca 0.01 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1sus s ILE 107 Cb -0.02 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1sus s ILE 107 CO -0.00 0.33 0.54 -0.22 0.00 0.00 0.00 174.94 175.59 1sus s LEU 108 N 1.19 4.60 -0.13 2.97 2.96 0.02 -1.55 118.68 128.74 1sus s LEU 108 Ca -0.05 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1sus s LEU 108 Cb -0.14 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 1sus s LEU 108 CO -0.02 -0.64 -0.10 0.00 -1.32 0.00 0.00 176.35 174.26 1sus s ALA 109 N 2.48 2.74 -0.10 5.97 0.00 -1.03 -0.53 121.76 131.29 1sus s ALA 109 Ca 0.18 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1sus s ALA 109 Cb -0.15 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1sus s ALA 109 CO 0.16 0.26 -0.18 -1.64 0.00 0.00 0.00 175.76 174.36 1sus s MET 110 N 0.29 2.46 -0.00 0.00 -1.94 -0.07 -0.69 119.30 119.34 1sus s MET 110 Ca -0.08 -0.66 -0.14 0.00 -1.71 0.00 0.00 55.69 53.10 1sus s MET 110 Cb -0.15 -1.97 0.02 0.00 2.01 0.00 0.00 34.83 34.74 1sus s MET 110 CO 0.05 0.04 0.29 0.34 -0.01 0.00 0.00 175.02 175.73 1sus s ASP 111 N 0.68 -0.15 0.42 3.03 -1.08 -1.13 -0.68 116.67 117.75 1sus s ASP 111 Ca -0.13 0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.13 1sus s ASP 111 Cb -0.16 0.30 0.31 0.00 -1.46 0.00 0.00 42.92 41.91 1sus s ASP 111 CO 0.03 -0.46 1.59 0.16 0.52 0.00 0.00 175.17 177.01 1sus h ILE 112 N 3.81 0.13 0.00 4.11 3.07 -1.88 0.23 117.51 126.98 1sus h ILE 112 Ca -0.30 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 64.93 1sus h ILE 112 Cb 1.18 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 39.79 1sus h ILE 112 CO 0.41 0.07 0.00 -3.20 -1.05 0.00 0.00 178.15 174.38 1sus n ASN 113 N -3.12 0.00 0.00 2.16 2.85 -1.26 -4.33 115.26 111.56 1sus n ASN 113 Ca 0.04 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 1sus n ASN 113 Cb 0.56 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1sus n ASN 113 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1sus n LYS 114 N -0.94 0.00 -0.10 1.20 3.00 -1.26 -4.76 118.16 115.30 1sus n LYS 114 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1sus n LYS 114 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.17 1sus n LYS 114 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1sus h GLU 115 N 0.00 0.78 -0.19 1.64 3.07 -1.99 -1.79 114.58 116.08 1sus h GLU 115 Ca 0.00 -0.25 -0.08 0.00 -0.50 0.00 0.00 59.36 58.53 1sus h GLU 115 Cb 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1sus h GLU 115 CO 0.00 0.84 -0.24 -0.91 -1.40 0.00 0.00 179.01 177.30 1sus h ASN 116 N 0.71 0.35 -0.49 1.42 2.35 -2.00 -2.53 115.58 115.39 1sus h ASN 116 Ca 0.12 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1sus h ASN 116 Cb 0.55 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1sus h ASN 116 CO 0.03 0.60 -0.11 0.22 -1.65 0.00 0.00 177.43 176.53 1sus h TYR 117 N 0.32 1.08 0.00 1.19 3.20 -1.73 -2.68 116.97 118.36 1sus h TYR 117 Ca 0.05 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1sus h TYR 117 Cb 0.60 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1sus h TYR 117 CO 0.01 1.01 0.00 0.93 -1.64 0.00 0.00 178.16 178.47 1sus h GLU 118 N 0.87 0.00 0.00 1.82 5.08 -1.06 -1.37 114.58 119.92 1sus h GLU 118 Ca 0.14 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1sus h GLU 118 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1sus h GLU 118 CO 0.05 0.00 -0.20 1.25 -1.00 0.00 0.00 179.01 179.11 1sus h LEU 119 N 0.00 0.00 0.00 1.33 5.85 -1.17 -3.17 115.31 118.14 1sus h LEU 119 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sus h LEU 119 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1sus h LEU 119 CO 0.00 0.20 -1.46 0.61 -0.34 0.00 0.00 178.44 177.45 1sus n GLY 120 N -0.25 -0.48 0.50 3.75 0.00 -0.93 -4.61 105.19 103.16 1sus n GLY 120 Ca -0.01 -0.27 0.33 0.00 0.00 0.00 0.00 46.02 46.07 1sus n GLY 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sus h LEU 121 N 0.00 0.12 -1.06 0.99 5.85 -1.24 -0.04 115.31 119.93 1sus h LEU 121 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1sus h LEU 121 Cb 0.50 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1sus h LEU 121 CO 0.00 0.01 0.27 -0.65 -0.34 0.00 0.00 178.44 177.73 1sus h PRO 122 N 0.10 0.94 -0.40 5.25 0.11 -1.82 -1.55 132.00 134.64 1sus h PRO 122 Ca 0.59 -0.15 -0.15 0.00 0.11 0.00 0.00 66.00 66.40 1sus h PRO 122 Cb 2.12 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 33.06 1sus h PRO 122 CO -0.10 0.76 -0.36 0.28 -0.21 0.00 0.00 178.00 178.38 1sus h VAL 123 N 0.93 1.27 -0.50 3.15 2.07 -1.33 -0.51 116.25 121.32 1sus h VAL 123 Ca 0.22 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 1sus h VAL 123 Cb 0.16 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1sus h VAL 123 CO -0.02 0.51 0.04 0.40 0.02 0.00 0.00 177.57 178.53 1sus h ILE 124 N 0.77 1.24 -0.43 4.57 2.04 -1.37 -1.74 117.51 122.58 1sus h ILE 124 Ca 0.07 -0.94 -0.14 0.00 1.00 0.00 0.00 64.86 64.84 1sus h ILE 124 Cb 0.95 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1sus h ILE 124 CO 0.09 0.34 -0.29 0.11 0.00 0.00 0.00 178.15 178.39 1sus h LYS 125 N 0.77 0.96 0.00 2.37 1.57 -1.16 -2.30 116.57 118.78 1sus h LYS 125 Ca 0.16 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1sus h LYS 125 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1sus h LYS 125 CO 0.01 1.12 0.00 1.17 -0.57 0.00 0.00 179.45 181.18 1sus n LYS 126 N -4.08 0.07 -0.30 3.15 4.81 -0.21 -0.58 118.16 121.01 1sus n LYS 126 Ca -0.01 0.40 0.09 0.00 -0.87 0.00 0.00 58.31 57.93 1sus n LYS 126 Cb 0.50 -1.65 0.26 0.00 0.02 0.00 0.00 35.03 34.15 1sus n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sus n ALA 127 N -1.60 2.31 -4.08 3.14 0.00 -0.72 -4.97 120.51 114.58 1sus n ALA 127 Ca 0.02 -1.25 -0.29 0.00 0.00 0.00 0.00 53.44 51.92 1sus n ALA 127 Cb 0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1sus n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sus n GLY 128 N 1.18 -0.26 0.00 0.00 0.00 0.25 -4.83 105.19 101.54 1sus n GLY 128 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1sus n GLY 128 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sus n VAL 129 N -4.42 0.00 0.29 1.61 3.14 -1.11 -4.82 118.33 113.01 1sus n VAL 129 Ca -0.21 -0.10 0.19 0.00 -2.96 0.00 0.00 64.34 61.26 1sus n VAL 129 Cb 0.64 1.77 1.03 0.00 -1.06 0.00 0.00 33.84 36.22 1sus n VAL 129 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1sus h ASP 130 N 0.00 0.00 0.83 6.55 2.03 -1.87 -2.57 116.42 121.39 1sus h ASP 130 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sus h ASP 130 Cb 0.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1sus h ASP 130 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1sus n HIS 131 N -2.84 0.75 1.28 4.15 1.44 -1.26 -2.43 115.22 116.31 1sus n HIS 131 Ca -0.02 0.28 0.13 0.00 -2.01 0.00 0.00 57.72 56.10 1sus n HIS 131 Cb 0.07 -0.95 0.47 0.00 0.12 0.00 0.00 29.99 29.69 1sus n HIS 131 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1sus n LYS 132 N -2.17 0.68 -3.66 -1.40 5.02 -0.97 -4.86 118.16 110.80 1sus n LYS 132 Ca 0.03 -0.33 -0.37 0.00 -2.02 0.00 0.00 58.31 55.62 1sus n LYS 132 Cb 0.26 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1sus n LYS 132 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sus s ILE 133 N -2.55 5.34 -0.61 -0.18 1.01 -1.02 0.22 121.20 123.41 1sus s ILE 133 Ca 0.25 0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.07 1sus s ILE 133 Cb 0.19 -3.49 0.15 0.00 0.01 0.00 0.00 42.46 39.33 1sus s ILE 133 CO 0.52 0.34 0.40 -0.62 0.00 0.00 0.00 174.94 175.58 1sus s ASP 134 N 1.07 4.89 0.12 3.58 2.15 -0.59 -4.98 116.67 122.90 1sus s ASP 134 Ca 0.07 -3.06 -0.30 0.00 0.43 0.00 0.00 52.55 49.69 1sus s ASP 134 Cb -0.14 -1.76 -0.06 0.00 -0.30 0.00 0.00 42.92 40.67 1sus s ASP 134 CO 0.05 -0.28 0.99 0.12 -0.17 0.00 0.00 175.17 175.88 1sus s PHE 135 N -0.37 3.77 -0.18 -5.34 5.36 -1.26 -2.47 117.98 117.50 1sus s PHE 135 Ca 0.18 1.76 0.01 0.00 -0.96 0.00 0.00 56.93 57.92 1sus s PHE 135 Cb -0.20 -3.10 0.04 0.00 -0.34 0.00 0.00 43.02 39.42 1sus s PHE 135 CO -0.04 0.06 -0.12 1.03 -1.46 0.00 0.00 175.22 174.69 1sus s ARG 136 N 0.00 2.11 -0.03 10.12 3.00 0.13 -4.97 118.95 129.32 1sus s ARG 136 Ca 0.48 -0.73 -0.29 0.00 0.00 0.00 0.00 55.73 55.19 1sus s ARG 136 Cb -0.24 -2.30 -0.03 0.00 0.00 0.00 0.00 34.95 32.38 1sus s ARG 136 CO 0.30 -0.36 0.94 -2.00 0.00 0.00 0.00 175.30 174.18 1sus s GLU 137 N 1.43 4.52 0.00 3.54 2.12 -1.26 -2.84 118.70 126.21 1sus s GLU 137 Ca 0.01 1.32 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1sus s GLU 137 Cb -0.15 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1sus s GLU 137 CO -0.09 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1sus n GLY 138 N 2.97 2.76 3.77 -1.50 0.00 0.82 -4.96 105.19 109.05 1sus n GLY 138 Ca 0.05 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 1sus n GLY 138 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sus n PRO 139 N -1.88 2.65 -0.04 1.61 -0.02 -1.26 -3.65 135.00 132.41 1sus n PRO 139 Ca 0.00 0.93 -0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1sus n PRO 139 Cb 0.00 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 30.79 1sus n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sus h ALA 140 N 2.94 0.45 -0.29 3.55 0.00 -1.94 -3.37 119.26 120.60 1sus h ALA 140 Ca -0.50 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 53.92 1sus h ALA 140 Cb 1.24 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1sus h ALA 140 CO 0.64 0.69 -0.17 -0.07 0.00 0.00 0.00 179.25 180.34 1sus h LEU 141 N 0.56 -0.57 -0.58 0.00 3.38 -1.99 -1.30 115.31 114.81 1sus h LEU 141 Ca -0.02 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.20 1sus h LEU 141 Cb 1.26 0.30 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 1sus h LEU 141 CO 0.14 -0.21 -0.01 -0.65 0.09 0.00 0.00 178.44 177.79 1sus h PRO 142 N -0.14 0.10 0.05 1.13 0.11 -2.00 0.07 132.00 131.32 1sus h PRO 142 Ca 0.15 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1sus h PRO 142 Cb 0.37 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1sus h PRO 142 CO -0.38 0.07 -0.02 0.28 -0.21 0.00 0.00 178.00 177.74 1sus h VAL 143 N 0.10 0.97 -0.54 3.15 2.07 -1.60 -2.27 116.25 118.14 1sus h VAL 143 Ca 0.30 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.84 1sus h VAL 143 Cb 0.48 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1sus h VAL 143 CO -0.51 0.02 0.14 -0.07 0.02 0.00 0.00 177.57 177.17 1sus h LEU 144 N -0.10 0.07 -1.22 2.57 4.07 -0.20 -1.39 115.31 119.10 1sus h LEU 144 Ca -0.01 0.09 0.04 0.00 0.08 0.00 0.00 57.88 58.08 1sus h LEU 144 Cb 0.08 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 1sus h LEU 144 CO 0.01 0.06 0.54 0.44 -1.08 0.00 0.00 178.44 178.41 1sus h ASP 145 N 0.29 0.87 0.59 -0.43 3.32 -0.77 -1.50 116.42 118.80 1sus h ASP 145 Ca 0.27 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 1sus h ASP 145 Cb 0.36 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1sus h ASP 145 CO -0.33 0.59 -0.60 -0.33 -1.72 0.00 0.00 179.24 176.86 1sus h GLU 146 N 1.00 0.01 -0.16 3.56 5.08 -0.70 -3.08 114.58 120.29 1sus h GLU 146 Ca 0.33 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.52 1sus h GLU 146 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1sus h GLU 146 CO -0.10 0.60 -0.60 0.52 -1.00 0.00 0.00 179.01 178.44 1sus h MET 147 N 0.00 0.55 -0.85 2.33 2.86 -0.56 -3.10 114.93 116.16 1sus h MET 147 Ca -0.01 -0.37 0.08 0.00 -2.06 0.00 0.00 59.70 57.34 1sus h MET 147 Cb 1.06 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.72 1sus h MET 147 CO 0.08 0.98 0.55 0.82 1.06 0.00 0.00 176.91 180.41 1sus h ILE 148 N 0.41 1.02 -0.05 -1.22 1.08 -1.25 -1.84 117.51 115.66 1sus h ILE 148 Ca -0.00 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1sus h ILE 148 Cb 1.15 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1sus h ILE 148 CO 0.11 0.16 0.04 0.11 -0.69 0.00 0.00 178.15 177.88 1sus h LYS 149 N 0.90 0.00 -5.00 2.37 1.57 -1.56 -3.37 116.57 111.47 1sus h LYS 149 Ca 0.38 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.47 1sus h LYS 149 Cb 0.30 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.43 1sus h LYS 149 CO -0.14 0.00 0.02 0.34 -0.57 0.00 0.00 179.45 179.09 1sus s ASP 150 N -6.80 6.23 0.67 0.86 -1.08 -0.69 -4.91 116.67 110.94 1sus s ASP 150 Ca -0.05 -0.81 0.38 0.00 -0.52 0.00 0.00 52.55 51.55 1sus s ASP 150 Cb 0.17 -2.28 2.07 0.00 -1.46 0.00 0.00 42.92 41.41 1sus s ASP 150 CO 0.65 -0.83 2.17 1.05 0.52 0.00 0.00 175.17 178.73 1sus h GLU 151 N 8.94 0.00 0.00 4.34 -0.00 -1.82 -0.43 114.58 125.61 1sus h GLU 151 Ca -0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.04 1sus h GLU 151 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.84 1sus h GLU 151 CO 0.93 0.00 -0.23 0.87 -0.00 0.00 0.00 179.01 180.58 1sus h LYS 152 N 0.00 0.00 0.00 1.06 1.57 -1.91 -2.68 116.57 114.61 1sus h LYS 152 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sus h LYS 152 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1sus h LYS 152 CO -0.00 0.23 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.11 1sus h ASN 153 N 0.00 0.00 -3.97 0.86 2.35 -1.33 -3.45 115.58 110.05 1sus h ASN 153 Ca -0.00 -0.02 -0.54 0.00 -0.55 0.00 0.00 56.30 55.19 1sus h ASN 153 Cb 0.47 0.00 0.11 0.00 0.05 0.00 0.00 38.32 38.95 1sus h ASN 153 CO 0.03 0.01 0.75 -1.00 -1.65 0.00 0.00 177.43 175.57 1sus s HIS 154 N -3.14 2.52 -1.19 1.19 3.76 -1.01 -2.30 115.29 115.11 1sus s HIS 154 Ca 0.09 1.20 -0.09 0.00 -0.15 0.00 0.00 55.06 56.11 1sus s HIS 154 Cb 0.11 -3.99 0.08 0.00 1.11 0.00 0.00 32.58 29.88 1sus s HIS 154 CO 0.63 -3.01 0.42 0.41 -0.85 0.00 0.00 174.74 172.33 1sus n GLY 155 N 0.50 -0.48 1.14 -2.22 0.00 0.11 -4.84 105.19 99.39 1sus n GLY 155 Ca 0.03 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1sus n GLY 155 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sus n SER 156 N -2.19 3.54 -4.26 1.61 3.41 -0.51 -4.07 113.62 111.14 1sus n SER 156 Ca -0.01 -1.97 -0.29 0.00 -0.26 0.00 0.00 58.87 56.34 1sus n SER 156 Cb 0.53 -0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 63.98 1sus n SER 156 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1sus s TYR 157 N -1.18 2.09 -0.00 7.33 1.51 -0.81 -4.91 117.35 121.37 1sus s TYR 157 Ca 0.40 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1sus s TYR 157 Cb 0.22 -1.34 -0.34 0.00 -0.11 0.00 0.00 41.96 40.39 1sus s TYR 157 CO 0.29 -0.03 0.91 -0.44 -1.11 0.00 0.00 175.55 175.17 1sus h ASP 158 N 5.55 0.73 -4.01 2.29 3.32 -1.41 -2.12 116.42 120.77 1sus h ASP 158 Ca -0.41 -0.93 -0.18 0.00 0.02 0.00 0.00 57.03 55.54 1sus h ASP 158 Cb 1.13 -0.24 -0.25 0.00 0.22 0.00 0.00 39.33 40.19 1sus h ASP 158 CO 0.47 1.67 -0.51 0.12 -1.72 0.00 0.00 179.24 179.27 1sus s PHE 159 N -2.56 -0.15 -0.06 4.55 5.36 -1.20 -4.47 117.98 119.45 1sus s PHE 159 Ca -0.11 0.36 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 1sus s PHE 159 Cb 0.04 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.79 1sus s PHE 159 CO 0.91 -0.13 0.01 0.42 -1.46 0.00 0.00 175.22 174.97 1sus s ILE 160 N -0.18 0.28 -0.21 3.12 1.01 -1.00 -1.88 121.20 122.34 1sus s ILE 160 Ca -0.03 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.71 1sus s ILE 160 Cb -0.02 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1sus s ILE 160 CO 0.00 0.23 0.06 0.12 0.00 0.00 0.00 174.94 175.35 1sus s PHE 161 N 1.82 3.15 -0.33 3.97 5.36 -0.22 0.42 117.98 132.15 1sus s PHE 161 Ca 0.02 -0.19 -0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1sus s PHE 161 Cb -0.12 -2.15 0.06 0.00 -0.34 0.00 0.00 43.02 40.47 1sus s PHE 161 CO -0.04 -0.11 0.05 0.08 -1.46 0.00 0.00 175.22 173.75 1sus s VAL 162 N 0.97 3.07 -0.38 3.12 1.01 0.17 -1.49 120.40 126.87 1sus s VAL 162 Ca 0.04 -1.56 0.12 0.00 0.00 0.00 0.00 61.98 60.58 1sus s VAL 162 Cb -0.14 -2.86 0.38 0.00 0.00 0.00 0.00 36.38 33.76 1sus s VAL 162 CO 0.03 -0.26 0.83 -0.67 0.00 0.00 0.00 175.10 175.03 1sus n ASP 163 N 4.61 1.62 0.00 3.32 -0.08 -0.48 -1.27 116.55 124.27 1sus n ASP 163 Ca -0.10 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.14 1sus n ASP 163 Cb 0.43 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.31 1sus n ASP 163 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sus n ALA 164 N 0.09 0.00 -0.65 -1.67 0.00 -1.14 -4.41 120.51 112.73 1sus n ALA 164 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sus n ALA 164 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1sus n ALA 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sus n ASP 165 N 0.00 0.00 0.00 0.00 9.92 -1.26 -4.96 116.55 120.25 1sus n ASP 165 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1sus n ASP 165 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1sus n ASP 165 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1sus n LYS 166 N 0.00 0.00 0.00 -1.24 3.00 -1.26 -4.80 118.16 113.86 1sus n LYS 166 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.37 1sus n LYS 166 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 35.03 35.37 1sus n LYS 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1sus n ASP 167 N 0.00 0.00 0.00 3.14 5.68 -1.26 -2.19 116.55 121.92 1sus n ASP 167 Ca 0.00 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.42 1sus n ASP 167 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1sus n ASP 167 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sus n ASN 168 N -0.79 0.74 0.00 -1.12 3.02 -1.26 -4.84 115.26 111.01 1sus n ASN 168 Ca 0.09 -0.87 -0.10 0.00 -0.03 0.00 0.00 54.58 53.66 1sus n ASN 168 Cb 0.04 0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 1sus n ASN 168 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1sus h TYR 169 N 0.00 -0.14 -0.94 3.10 -1.99 -1.82 -0.30 116.97 114.88 1sus h TYR 169 Ca 0.00 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1sus h TYR 169 Cb 0.00 0.08 -0.05 0.00 2.00 0.00 0.00 36.73 38.76 1sus h TYR 169 CO 0.00 -0.09 0.62 -0.07 -0.00 0.00 0.00 178.16 178.61 1sus h LEU 170 N -0.06 1.03 -0.85 3.88 -0.00 -1.88 0.04 115.31 117.47 1sus h LEU 170 Ca 0.06 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.85 1sus h LEU 170 Cb 0.14 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 1sus h LEU 170 CO -0.13 0.72 0.09 0.78 -0.00 0.00 0.00 178.44 179.89 1sus h ASN 171 N 1.20 0.90 -0.19 -0.43 2.35 -1.70 -2.59 115.58 115.12 1sus h ASN 171 Ca 0.37 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1sus h ASN 171 Cb -0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1sus h ASN 171 CO -0.11 0.91 -0.02 1.88 -1.65 0.00 0.00 177.43 178.44 1sus h TYR 172 N 0.89 0.38 -0.84 1.19 0.05 -0.33 -3.01 116.97 115.31 1sus h TYR 172 Ca 0.18 -0.07 0.20 0.00 0.05 0.00 0.00 58.73 59.08 1sus h TYR 172 Cb 0.40 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.99 1sus h TYR 172 CO 0.03 0.58 0.57 1.25 -1.05 0.00 0.00 178.16 179.53 1sus h HIS 173 N 0.08 0.41 -0.60 4.88 2.76 -0.81 0.43 115.15 122.30 1sus h HIS 173 Ca 0.05 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1sus h HIS 173 Cb 0.44 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1sus h HIS 173 CO 0.04 0.12 0.39 0.87 -1.30 0.00 0.00 177.93 178.05 1sus h LYS 174 N 0.32 0.80 0.00 5.26 1.57 -1.32 -2.55 116.57 120.64 1sus h LYS 174 Ca 0.42 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1sus h LYS 174 Cb 1.17 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1sus h LYS 174 CO -0.13 0.54 -1.85 2.89 -0.57 0.00 0.00 179.45 180.33 1sus n ARG 175 N -4.44 0.63 -0.13 3.15 0.00 -0.37 -4.47 116.66 111.04 1sus n ARG 175 Ca 0.06 -0.14 -0.06 0.00 -0.00 0.00 0.00 57.85 57.70 1sus n ARG 175 Cb 0.05 -1.42 0.11 0.00 -0.00 0.00 0.00 32.46 31.20 1sus n ARG 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1sus h LEU 176 N 0.00 0.84 -2.22 2.89 4.07 -0.10 -2.82 115.31 117.96 1sus h LEU 176 Ca -0.05 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1sus h LEU 176 Cb 0.96 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1sus h LEU 176 CO 0.00 0.93 0.00 -0.29 -1.08 0.00 0.00 178.44 178.01 1sus h ILE 177 N 0.78 0.00 -0.01 1.22 6.09 -1.68 0.73 117.51 124.65 1sus h ILE 177 Ca 0.14 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.63 1sus h ILE 177 Cb 0.55 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1sus h ILE 177 CO 0.03 0.00 -0.65 0.47 -3.07 0.00 0.00 178.15 174.94 1sus n ASP 178 N -2.67 1.23 -0.07 2.19 8.00 -1.08 -4.40 116.55 119.76 1sus n ASP 178 Ca -0.02 -1.11 -0.10 0.00 0.71 0.00 0.00 54.79 54.27 1sus n ASP 178 Cb 0.05 0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 41.78 1sus n ASP 178 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sus n LEU 179 N -0.86 0.40 -4.78 0.64 4.77 0.14 0.04 117.00 117.35 1sus n LEU 179 Ca 0.05 0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.83 1sus n LEU 179 Cb 0.32 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1sus n LEU 179 CO 0.31 0.46 0.60 -0.69 -1.33 0.00 0.00 177.39 176.74 1sus s VAL 180 N -2.53 4.27 0.83 4.08 1.01 -0.54 -1.42 120.40 126.10 1sus s VAL 180 Ca -0.08 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 1sus s VAL 180 Cb 0.07 -4.01 0.11 0.00 0.00 0.00 0.00 36.38 32.55 1sus s VAL 180 CO 0.83 0.19 1.19 -1.59 0.00 0.00 0.00 175.10 175.71 1sus s LYS 181 N -1.96 1.63 0.36 2.72 -2.85 -0.80 -4.08 119.74 114.77 1sus s LYS 181 Ca 0.48 -0.13 0.05 0.00 -1.00 0.00 0.00 55.97 55.37 1sus s LYS 181 Cb -0.19 -1.97 0.71 0.00 -2.06 0.00 0.00 37.83 34.32 1sus s LYS 181 CO 0.24 -1.76 1.99 -0.39 0.10 0.00 0.00 175.35 175.52 1sus h VAL 182 N -1.13 1.08 -0.98 1.79 -1.51 -1.88 -0.34 116.25 113.28 1sus h VAL 182 Ca -0.45 -0.27 0.21 0.00 -1.23 0.00 0.00 66.70 64.96 1sus h VAL 182 Cb 1.30 0.23 -0.19 0.00 -2.13 0.00 0.00 31.29 30.50 1sus h VAL 182 CO 0.57 0.14 -0.19 0.61 -1.23 0.00 0.00 177.57 177.47 1sus n GLY 183 N -1.45 -1.59 0.00 5.19 0.00 -1.26 -4.09 105.19 101.99 1sus n GLY 183 Ca 0.09 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.14 1sus n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sus n GLY 184 N -1.59 -0.96 1.84 -0.02 0.00 -0.14 -4.55 105.19 99.77 1sus n GLY 184 Ca 0.17 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 1sus n GLY 184 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sus n VAL 185 N 0.00 -8.91 -4.46 1.61 0.31 -0.58 -4.35 118.33 101.96 1sus n VAL 185 Ca 0.00 1.89 -0.23 0.00 -0.01 0.00 0.00 64.34 65.99 1sus n VAL 185 Cb 0.00 -4.92 -0.16 0.00 -0.91 0.00 0.00 33.84 27.85 1sus n VAL 185 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1sus s ILE 186 N -0.36 0.93 -0.21 2.52 1.01 0.58 -2.37 121.20 123.29 1sus s ILE 186 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1sus s ILE 186 Cb 0.00 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 1sus s ILE 186 CO 0.04 0.30 -0.05 -0.83 0.00 0.00 0.00 174.94 174.40 1sus s GLY 187 N 0.61 1.60 -0.33 6.18 0.00 0.17 -1.03 107.32 114.51 1sus s GLY 187 Ca -0.11 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.38 1sus s GLY 187 CO 0.02 0.34 0.19 -0.19 0.00 0.00 0.00 173.10 173.46 1sus s TYR 188 N 1.31 3.20 0.26 1.90 2.02 -1.04 0.45 117.35 125.46 1sus s TYR 188 Ca 0.04 -0.58 -0.17 0.00 -0.37 0.00 0.00 57.07 55.98 1sus s TYR 188 Cb -0.14 -2.40 -0.08 0.00 -0.40 0.00 0.00 41.96 38.93 1sus s TYR 188 CO -0.02 -0.48 0.71 0.34 -1.57 0.00 0.00 175.55 174.52 1sus s ASP 189 N 1.62 6.90 -0.55 2.29 2.15 -0.40 -1.28 116.67 127.41 1sus s ASP 189 Ca 0.04 1.32 0.00 0.00 0.43 0.00 0.00 52.55 54.34 1sus s ASP 189 Cb -0.18 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1sus s ASP 189 CO 0.07 -0.07 0.00 0.59 -0.17 0.00 0.00 175.17 175.60 1sus n ASN 190 N 0.24 -2.72 0.00 -0.34 4.13 0.30 -4.89 115.26 111.98 1sus n ASN 190 Ca 0.00 0.03 0.06 0.00 1.68 0.00 0.00 54.58 56.35 1sus n ASN 190 Cb 0.52 -1.80 0.30 0.00 -1.54 0.00 0.00 39.78 37.26 1sus n ASN 190 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sus n THR 191 N -3.76 0.82 0.69 3.41 -2.24 -0.98 -1.32 114.28 110.90 1sus n THR 191 Ca -0.07 0.21 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1sus n THR 191 Cb 0.48 -0.99 0.04 0.00 -2.10 0.00 0.00 70.33 67.76 1sus n THR 191 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sus n LEU 192 N -1.36 2.07 -3.88 3.22 4.77 -0.98 -4.93 117.00 115.91 1sus n LEU 192 Ca 0.05 -0.91 -0.20 0.00 -0.03 0.00 0.00 56.01 54.92 1sus n LEU 192 Cb 0.12 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1sus n LEU 192 CO 0.10 0.38 -0.07 1.87 -1.33 0.00 0.00 177.39 178.34 1sus n TRP 193 N 0.52 -0.56 -1.80 -1.77 -0.00 -0.43 0.10 117.44 113.51 1sus n TRP 193 Ca 0.08 0.02 -0.18 0.00 -0.00 0.00 0.00 57.50 57.42 1sus n TRP 193 Cb 0.38 -1.12 -0.05 0.00 -0.00 0.00 0.00 31.31 30.51 1sus n TRP 193 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1sus n ASN 194 N -0.32 -5.15 0.00 5.87 5.15 -1.26 -1.97 115.26 117.59 1sus n ASN 194 Ca -0.05 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1sus n ASN 194 Cb 0.23 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 1sus n ASN 194 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sus n GLY 195 N -0.88 2.57 0.10 8.20 0.00 0.29 -4.84 105.19 110.63 1sus n GLY 195 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1sus n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sus n SER 196 N 0.00 0.19 0.00 1.61 3.41 -0.83 -1.24 113.62 116.75 1sus n SER 196 Ca 0.00 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 1sus n SER 196 Cb 0.00 -0.38 0.39 0.00 -0.26 0.00 0.00 64.21 63.96 1sus n SER 196 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1sus n VAL 197 N -1.73 0.00 -2.03 -3.33 0.24 -1.26 -2.68 118.33 107.54 1sus n VAL 197 Ca -0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1sus n VAL 197 Cb 0.31 -0.52 -0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1sus n VAL 197 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1sus n VAL 198 N -0.83 0.00 -2.37 3.34 0.24 -0.37 -5.09 118.33 113.24 1sus n VAL 198 Ca 0.10 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.34 61.92 1sus n VAL 198 Cb 0.05 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.70 1sus n VAL 198 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sus s ALA 199 N 0.00 3.44 0.28 2.33 0.00 -1.09 -4.97 121.76 121.75 1sus s ALA 199 Ca 0.02 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1sus s ALA 199 Cb 0.03 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 1sus s ALA 199 CO -0.01 -0.40 1.59 -0.35 0.00 0.00 0.00 175.76 176.59 1sus n PRO 200 N 2.92 2.65 -1.00 0.00 -0.04 -1.26 -4.82 135.00 133.44 1sus n PRO 200 Ca 0.06 0.94 -0.35 0.00 -0.04 0.00 0.00 63.50 64.11 1sus n PRO 200 Cb 0.45 -2.72 -0.11 0.00 -0.04 0.00 0.00 33.50 31.08 1sus n PRO 200 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1sus n PRO 201 N 2.31 0.32 0.00 0.54 -0.02 -1.26 -1.23 135.00 135.66 1sus n PRO 201 Ca 0.10 -1.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.16 1sus n PRO 201 Cb 0.36 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.78 1sus n PRO 201 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sus n ASP 202 N 12.43 0.00 -3.40 2.55 5.68 -1.26 -5.06 116.55 127.48 1sus n ASP 202 Ca 0.45 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 54.43 1sus n ASP 202 Cb 0.44 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.38 1sus n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sus n ALA 203 N 0.00 4.73 -0.66 2.12 0.00 -0.36 -5.07 120.51 121.27 1sus n ALA 203 Ca 0.00 -4.74 -0.25 0.00 0.00 0.00 0.00 53.44 48.45 1sus n ALA 203 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1sus n ALA 203 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sus n PRO 204 N 0.46 0.00 -4.53 0.00 -0.02 -1.26 -4.94 135.00 124.70 1sus n PRO 204 Ca 0.32 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.55 1sus n PRO 204 Cb 0.37 -0.61 -0.10 0.00 -0.02 0.00 0.00 33.50 33.14 1sus n PRO 204 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sus s LEU 205 N 0.37 2.30 0.42 2.45 1.02 -1.26 -5.11 118.68 118.87 1sus s LEU 205 Ca 0.37 -1.45 -0.26 0.00 0.02 0.00 0.00 54.13 52.81 1sus s LEU 205 Cb -0.53 -0.48 -0.10 0.00 0.02 0.00 0.00 46.19 45.11 1sus s LEU 205 CO 0.25 -0.65 1.40 0.54 0.02 0.00 0.00 176.35 177.91 1sus n ARG 206 N -0.84 2.27 -0.27 1.70 5.12 -1.26 -4.79 116.66 118.59 1sus n ARG 206 Ca -0.05 0.80 0.17 0.00 -1.93 0.00 0.00 57.85 56.85 1sus n ARG 206 Cb 0.66 -2.56 0.46 0.00 -1.16 0.00 0.00 32.46 29.87 1sus n ARG 206 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1sus h LYS 207 N 2.41 0.49 -0.20 5.56 3.64 -1.99 -1.71 116.57 124.77 1sus h LYS 207 Ca -0.50 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 58.65 1sus h LYS 207 Cb 1.27 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1sus h LYS 207 CO 0.61 0.32 -0.69 0.10 -2.27 0.00 0.00 179.45 177.53 1sus h TYR 208 N 0.51 1.06 -0.30 1.91 -0.00 -2.00 -1.81 116.97 116.34 1sus h TYR 208 Ca 0.49 -0.43 -0.11 0.00 -0.00 0.00 0.00 58.73 58.68 1sus h TYR 208 Cb 1.09 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 37.63 1sus h TYR 208 CO -0.00 1.26 -0.27 -0.39 -0.00 0.00 0.00 178.16 178.75 1sus h VAL 209 N 0.58 1.28 -0.58 -0.90 -1.51 -1.73 -0.92 116.25 112.45 1sus h VAL 209 Ca -0.03 -1.36 -0.07 0.00 -1.23 0.00 0.00 66.70 64.02 1sus h VAL 209 Cb 1.31 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 31.79 1sus h VAL 209 CO 0.14 0.44 0.10 -0.09 -1.23 0.00 0.00 177.57 176.93 1sus h ARG 210 N 0.52 0.93 0.58 5.19 2.43 -1.28 -0.95 114.38 121.80 1sus h ARG 210 Ca 0.07 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1sus h ARG 210 Cb 0.74 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1sus h ARG 210 CO 0.06 0.86 -0.28 -0.92 -1.51 0.00 0.00 179.97 178.18 1sus h TYR 211 N 0.88 -0.73 0.00 2.20 3.20 -0.88 -3.19 116.97 118.45 1sus h TYR 211 Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1sus h TYR 211 Cb 0.38 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1sus h TYR 211 CO 0.02 -0.39 0.00 0.66 -1.64 0.00 0.00 178.16 176.81 1sus n TYR 212 N -5.33 0.63 -0.24 -3.82 4.01 -0.39 -3.40 117.16 108.61 1sus n TYR 212 Ca -0.11 0.26 -0.07 0.00 -0.16 0.00 0.00 57.90 57.82 1sus n TYR 212 Cb 0.34 -0.92 0.04 0.00 -0.31 0.00 0.00 39.34 38.50 1sus n TYR 212 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1sus h ARG 213 N 0.00 1.00 -0.90 -0.72 2.43 -1.15 -2.49 114.38 112.55 1sus h ARG 213 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1sus h ARG 213 Cb 0.29 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1sus h ARG 213 CO 0.00 0.84 0.56 -0.44 -1.51 0.00 0.00 179.97 179.42 1sus h ASP 214 N 0.95 1.06 -0.42 -3.80 3.32 -1.70 -2.18 116.42 113.65 1sus h ASP 214 Ca 0.22 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1sus h ASP 214 Cb 0.21 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1sus h ASP 214 CO -0.02 0.80 -0.01 -0.26 -1.72 0.00 0.00 179.24 178.03 1sus h PHE 215 N 1.23 0.89 0.22 4.55 0.04 -1.69 -2.27 116.94 119.91 1sus h PHE 215 Ca 0.33 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 1sus h PHE 215 Cb -0.09 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.82 1sus h PHE 215 CO -0.00 0.82 -0.10 0.28 -0.60 0.00 0.00 178.31 178.70 1sus h VAL 216 N 0.77 0.86 -0.65 -0.55 2.07 -1.10 0.19 116.25 117.84 1sus h VAL 216 Ca 0.15 -0.66 0.12 0.00 0.82 0.00 0.00 66.70 67.13 1sus h VAL 216 Cb 0.48 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 1sus h VAL 216 CO 0.02 0.14 0.19 -0.07 0.02 0.00 0.00 177.57 177.87 1sus h LEU 217 N -0.64 0.11 -0.45 2.57 3.38 -1.38 0.36 115.31 119.26 1sus h LEU 217 Ca -0.03 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sus h LEU 217 Cb 0.46 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1sus h LEU 217 CO 0.05 0.05 0.22 -0.08 0.09 0.00 0.00 178.44 178.77 1sus h GLU 218 N 0.33 0.64 -0.07 1.13 4.81 -1.30 -1.48 114.58 118.63 1sus h GLU 218 Ca 0.34 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1sus h GLU 218 Cb 0.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1sus h GLU 218 CO -0.39 0.53 -0.04 1.25 -0.73 0.00 0.00 179.01 179.63 1sus h LEU 219 N 0.58 -0.13 -0.65 1.64 7.12 0.88 -2.07 115.31 122.68 1sus h LEU 219 Ca 0.15 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 1sus h LEU 219 Cb 0.10 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 1sus h LEU 219 CO -0.02 -0.06 0.38 0.78 -0.13 0.00 0.00 178.44 179.39 1sus h ASN 220 N -0.04 0.78 -0.27 1.25 2.35 -0.16 -1.51 115.58 117.99 1sus h ASN 220 Ca 0.04 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1sus h ASN 220 Cb 0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1sus h ASN 220 CO -0.10 0.62 0.16 0.11 -1.65 0.00 0.00 177.43 176.57 1sus h LYS 221 N 0.88 0.31 -0.37 0.81 1.57 -1.08 -0.97 116.57 117.72 1sus h LYS 221 Ca 0.23 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1sus h LYS 221 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1sus h LYS 221 CO -0.04 0.21 0.16 0.00 -0.57 0.00 0.00 179.45 179.21 1sus h ALA 222 N 1.11 0.45 -0.84 3.86 0.00 -1.10 -2.39 119.26 120.36 1sus h ALA 222 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sus h ALA 222 Cb -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1sus h ALA 222 CO -0.04 -0.21 0.50 -0.07 0.00 0.00 0.00 179.25 179.42 1sus h LEU 223 N 0.34 1.01 -1.41 0.00 4.07 -1.00 -0.86 115.31 117.45 1sus h LEU 223 Ca 0.16 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.08 1sus h LEU 223 Cb 0.10 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 1sus h LEU 223 CO -0.13 0.78 0.42 0.00 -1.08 0.00 0.00 178.44 178.42 1sus h ALA 224 N 1.27 1.63 0.00 1.53 0.00 -0.70 -2.88 119.26 120.11 1sus h ALA 224 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1sus h ALA 224 Cb -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1sus h ALA 224 CO -0.06 0.31 -0.79 0.28 0.00 0.00 0.00 179.25 178.99 1sus h VAL 225 N 0.78 0.00 -2.38 0.00 2.07 -0.94 -3.47 116.25 112.30 1sus h VAL 225 Ca 0.25 -0.66 -0.58 0.00 0.82 0.00 0.00 66.70 66.53 1sus h VAL 225 Cb 0.04 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1sus h VAL 225 CO -0.07 0.00 1.36 -0.62 0.02 0.00 0.00 177.57 178.26 1sus s ASP 226 N -4.59 5.75 0.34 0.57 -1.08 -0.39 -4.89 116.67 112.38 1sus s ASP 226 Ca 0.04 1.63 0.25 0.00 -0.52 0.00 0.00 52.55 53.94 1sus s ASP 226 Cb 0.12 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 40.29 1sus s ASP 226 CO 0.75 -1.77 1.75 -0.65 0.52 0.00 0.00 175.17 175.78 1sus h PRO 227 N 13.60 0.00 -0.00 4.34 0.11 -1.91 -3.02 132.00 145.13 1sus h PRO 227 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1sus h PRO 227 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sus h PRO 227 CO 0.99 0.00 -0.33 0.54 -0.21 0.00 0.00 178.00 179.00 1sus n ARG 228 N -2.37 0.34 -4.34 1.05 1.74 -1.26 -4.85 116.66 106.97 1sus n ARG 228 Ca -0.00 -0.18 -0.18 0.00 -0.77 0.00 0.00 57.85 56.72 1sus n ARG 228 Cb 0.11 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 1sus n ARG 228 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1sus s ILE 229 N -2.78 1.02 -0.26 0.55 -4.36 -1.14 0.13 121.20 114.36 1sus s ILE 229 Ca 0.18 -2.03 -0.03 0.00 -0.26 0.00 0.00 60.65 58.51 1sus s ILE 229 Cb 0.18 -2.43 -0.16 0.00 1.25 0.00 0.00 42.46 41.31 1sus s ILE 229 CO 0.60 -0.25 -0.25 1.21 0.24 0.00 0.00 174.94 176.49 1sus n GLU 230 N -0.46 0.64 -1.73 0.37 4.07 -0.19 -4.88 120.64 118.46 1sus n GLU 230 Ca -0.04 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 1sus n GLU 230 Cb 0.64 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1sus n GLU 230 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1sus n ILE 231 N -3.54 -5.37 -3.67 6.31 -5.35 -1.22 -4.92 119.36 101.61 1sus n ILE 231 Ca -0.48 2.48 -0.09 0.00 -0.27 0.00 0.00 62.75 64.39 1sus n ILE 231 Cb 0.96 -3.48 -0.10 0.00 -1.74 0.00 0.00 39.64 35.28 1sus n ILE 231 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sus s MET 233 N 2.31 3.05 -0.32 0.00 1.75 -1.26 -0.31 119.30 124.52 1sus s MET 233 Ca -0.03 -1.23 -0.14 0.00 -1.25 0.00 0.00 55.69 53.04 1sus s MET 233 Cb -0.11 -4.18 -0.03 0.00 2.84 0.00 0.00 34.83 33.36 1sus s MET 233 CO -0.12 -1.26 0.29 -0.51 -0.65 0.00 0.00 175.02 172.76 1sus s LEU 234 N 2.24 4.32 0.00 4.11 1.43 -0.17 -4.98 118.68 125.62 1sus s LEU 234 Ca 0.10 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1sus s LEU 234 Cb -0.23 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1sus s LEU 234 CO 0.08 -0.22 0.63 -0.81 0.23 0.00 0.00 176.35 176.26 1sus n PRO 235 N 5.22 0.48 -3.22 1.29 -0.04 -1.26 -2.02 135.00 135.46 1sus n PRO 235 Ca -0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.02 1sus n PRO 235 Cb 0.50 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.64 1sus n PRO 235 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sus s VAL 236 N 0.69 4.74 0.00 0.52 0.11 -1.26 -4.58 120.40 120.61 1sus s VAL 236 Ca 0.00 0.86 0.00 0.00 -2.93 0.00 0.00 61.98 59.91 1sus s VAL 236 Cb 0.00 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 1sus s VAL 236 CO 0.00 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 1sus n GLY 237 N -0.13 3.49 1.09 6.54 0.00 -1.26 0.23 105.19 115.15 1sus n GLY 237 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1sus n GLY 237 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sus n ASP 238 N 7.30 3.96 0.00 1.61 2.03 -1.26 -4.28 116.55 125.91 1sus n ASP 238 Ca 0.00 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1sus n ASP 238 Cb 0.00 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 1sus n ASP 238 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sus n GLY 239 N -0.46 0.18 3.11 0.27 0.00 0.13 -2.33 105.19 106.10 1sus n GLY 239 Ca 0.25 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 1sus n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sus s ILE 240 N -0.35 1.37 -0.37 -0.61 -1.09 -0.85 0.11 121.20 119.40 1sus s ILE 240 Ca 0.00 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 57.68 1sus s ILE 240 Cb 0.00 -1.18 0.06 0.00 -1.58 0.00 0.00 42.46 39.75 1sus s ILE 240 CO 0.00 0.40 0.16 -0.89 -1.23 0.00 0.00 174.94 173.38 1sus s THR 241 N 0.14 3.88 -0.21 2.92 2.01 -0.40 -1.00 115.64 122.98 1sus s THR 241 Ca -0.06 -1.30 -0.25 0.00 0.31 0.00 0.00 61.69 60.39 1sus s THR 241 Cb -0.12 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 1sus s THR 241 CO 0.02 -0.33 0.83 -0.63 -0.69 0.00 0.00 174.62 173.83 1sus s ILE 242 N 1.38 4.85 -0.15 1.82 1.09 0.58 -2.50 121.20 128.28 1sus s ILE 242 Ca 0.01 1.61 -0.02 0.00 -1.10 0.00 0.00 60.65 61.14 1sus s ILE 242 Cb -0.21 -4.13 -0.02 0.00 -1.06 0.00 0.00 42.46 37.04 1sus s ILE 242 CO 0.02 -0.03 -0.07 0.00 -0.10 0.00 0.00 174.94 174.75 1sus s ARG 244 N 0.48 3.36 0.07 0.00 3.52 -1.26 -0.31 118.95 124.81 1sus s ARG 244 Ca -0.06 -0.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.58 1sus s ARG 244 Cb -0.15 -2.84 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1sus s ARG 244 CO 0.03 -0.04 1.21 0.50 -0.81 0.00 0.00 175.30 176.20 1sus s ARG 245 N 1.03 4.43 0.00 5.12 3.52 -1.26 -1.02 118.95 130.78 1sus s ARG 245 Ca -0.00 1.80 0.09 0.00 -0.13 0.00 0.00 55.73 57.48 1sus s ARG 245 Cb -0.15 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 1sus s ARG 245 CO -0.01 -0.26 0.37 0.44 -0.81 0.00 0.00 175.30 175.03 1sus n ILE 246 N 3.85 0.00 -0.25 4.11 -5.35 0.12 -4.43 119.36 117.41 1sus n ILE 246 Ca 0.09 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1sus n ILE 246 Cb 0.46 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1sus n ILE 246 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08