#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sus n SER 22 N 0.00 1.75 -0.57 3.14 2.88 -1.26 -5.06 113.62 114.50 1sus n SER 22 Ca 0.00 -1.68 0.06 0.00 -1.33 0.00 0.00 58.87 55.92 1sus n SER 22 Cb 0.00 0.01 0.11 0.00 -0.75 0.00 0.00 64.21 63.58 1sus n SER 22 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sus n LEU 23 N 0.00 2.51 0.00 2.46 4.77 -1.26 -5.03 117.00 120.46 1sus n LEU 23 Ca -0.02 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 1sus n LEU 23 Cb 0.22 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1sus n LEU 23 CO 0.13 0.57 0.00 0.18 -1.33 0.00 0.00 177.39 176.94 1sus n LEU 24 N 0.59 0.00 -0.14 2.23 4.77 -1.26 -5.03 117.00 118.17 1sus n LEU 24 Ca 0.10 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1sus n LEU 24 Cb 0.37 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1sus n LEU 24 CO 0.08 -0.32 0.62 1.56 -1.33 0.00 0.00 177.39 178.00 1sus h GLN 25 N 0.00 0.94 -2.85 3.23 4.20 -1.99 -3.46 115.11 115.16 1sus h GLN 25 Ca 0.00 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.18 1sus h GLN 25 Cb 0.00 -0.01 -0.19 0.00 0.30 0.00 0.00 27.48 27.58 1sus h GLN 25 CO 0.00 1.10 -0.13 -1.54 -0.67 0.00 0.00 178.83 177.59 1sus s SER 26 N -6.72 -0.30 0.60 1.46 1.04 -1.26 -5.01 113.70 103.51 1sus s SER 26 Ca -0.11 0.16 0.29 0.00 0.48 0.00 0.00 55.95 56.76 1sus s SER 26 Cb 0.11 0.39 1.46 0.00 0.10 0.00 0.00 66.02 68.09 1sus s SER 26 CO 0.87 -0.56 1.87 0.44 0.98 0.00 0.00 173.24 176.84 1sus h ASP 27 N 3.39 0.00 0.02 7.02 3.32 -1.98 -1.98 116.42 126.21 1sus h ASP 27 Ca -0.30 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1sus h ASP 27 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1sus h ASP 27 CO 0.41 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.92 1sus h ALA 28 N 1.41 -0.03 -0.81 3.45 0.00 -1.96 0.20 119.26 121.52 1sus h ALA 28 Ca 0.21 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1sus h ALA 28 Cb 1.20 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1sus h ALA 28 CO -0.00 -0.15 0.44 1.25 0.00 0.00 0.00 179.25 180.78 1sus h LEU 29 N -0.76 0.59 -0.41 0.00 6.46 -1.77 1.45 115.31 120.87 1sus h LEU 29 Ca -0.00 0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.67 1sus h LEU 29 Cb 0.69 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1sus h LEU 29 CO 0.01 0.31 -0.32 0.22 -0.62 0.00 0.00 178.44 178.04 1sus h TYR 30 N 0.70 1.12 -0.71 1.25 5.03 -1.57 -2.78 116.97 120.02 1sus h TYR 30 Ca 0.41 -0.31 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1sus h TYR 30 Cb 0.45 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 1sus h TYR 30 CO -0.08 1.14 0.45 0.37 -1.32 0.00 0.00 178.16 178.73 1sus h GLN 31 N 0.78 0.95 -0.30 1.82 5.75 0.28 -2.53 115.11 121.85 1sus h GLN 31 Ca 0.08 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1sus h GLN 31 Cb 0.91 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 1sus h GLN 31 CO 0.08 0.65 0.18 -0.92 -2.65 0.00 0.00 178.83 176.17 1sus h TYR 32 N 0.97 0.34 -0.64 3.99 3.20 0.20 -1.10 116.97 123.93 1sus h TYR 32 Ca 0.26 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.22 1sus h TYR 32 Cb -0.08 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.01 1sus h TYR 32 CO -0.02 0.21 0.28 0.82 -1.64 0.00 0.00 178.16 177.81 1sus h ILE 33 N 0.37 0.83 -0.30 1.81 2.04 -1.21 -0.88 117.51 120.17 1sus h ILE 33 Ca 0.12 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1sus h ILE 33 Cb -0.02 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1sus h ILE 33 CO -0.05 0.09 0.01 -0.07 0.00 0.00 0.00 178.15 178.13 1sus h LEU 34 N 0.50 0.51 -1.02 1.44 3.38 -1.05 -2.72 115.31 116.36 1sus h LEU 34 Ca 0.31 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1sus h LEU 34 Cb 0.34 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1sus h LEU 34 CO -0.27 0.69 0.13 -0.33 0.09 0.00 0.00 178.44 178.74 1sus h GLU 35 N 0.32 0.83 -1.53 1.13 4.39 -0.77 -2.05 114.58 116.91 1sus h GLU 35 Ca 0.09 -0.17 -0.55 0.00 0.34 0.00 0.00 59.36 59.06 1sus h GLU 35 Cb 0.42 -0.12 -0.42 0.00 -0.10 0.00 0.00 28.75 28.53 1sus h GLU 35 CO 0.01 0.75 -0.81 0.25 -1.16 0.00 0.00 179.01 178.06 1sus n THR 36 N -4.27 2.16 0.01 1.13 -2.24 -0.38 -4.59 114.28 106.10 1sus n THR 36 Ca 0.04 -4.69 0.00 0.00 -2.27 0.00 0.00 64.05 57.13 1sus n THR 36 Cb 0.23 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1sus n THR 36 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sus n SER 37 N -0.37 -0.16 -0.08 3.42 2.88 -1.03 -4.91 113.62 113.38 1sus n SER 37 Ca 0.33 0.08 -0.07 0.00 -1.33 0.00 0.00 58.87 57.88 1sus n SER 37 Cb 0.66 0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 64.40 1sus n SER 37 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1sus n VAL 38 N -2.27 1.46 -0.29 2.46 0.24 -1.21 -4.55 118.33 114.17 1sus n VAL 38 Ca 0.00 0.17 0.12 0.00 -2.04 0.00 0.00 64.34 62.59 1sus n VAL 38 Cb 0.00 -2.37 0.26 0.00 -1.47 0.00 0.00 33.84 30.27 1sus n VAL 38 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1sus h PHE 39 N -1.00 0.25 -2.87 6.34 -1.00 -1.66 -3.37 116.94 113.63 1sus h PHE 39 Ca -0.01 0.05 -0.57 0.00 2.81 0.00 0.00 57.97 60.26 1sus h PHE 39 Cb 0.78 0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.33 1sus h PHE 39 CO -0.33 -0.23 1.20 -2.14 -1.61 0.00 0.00 178.31 175.20 1sus s PRO 40 N -5.97 3.38 0.12 1.51 0.02 -1.26 -4.57 135.00 128.23 1sus s PRO 40 Ca -0.12 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.05 1sus s PRO 40 Cb 0.25 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.63 1sus s PRO 40 CO 0.77 -1.80 0.00 0.54 -0.33 0.00 0.00 177.00 176.18 1sus n ARG 41 N 8.35 -4.55 -2.66 5.54 3.00 -1.26 -4.86 116.66 120.22 1sus n ARG 41 Ca 0.20 3.33 -0.03 0.00 -0.01 0.00 0.00 57.85 61.34 1sus n ARG 41 Cb 0.48 -3.73 0.04 0.00 0.00 0.00 0.00 32.46 29.24 1sus n ARG 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1sus n GLU 42 N 1.57 0.13 0.00 5.56 -0.00 -1.26 -4.92 120.64 121.71 1sus n GLU 42 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.16 56.50 1sus n GLU 42 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 31.44 31.38 1sus n GLU 42 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1sus n HIS 43 N -0.07 0.00 0.00 -1.84 -0.00 -1.26 -4.35 115.22 107.71 1sus n HIS 43 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1sus n HIS 43 Cb 0.69 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 1sus n HIS 43 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1sus n GLU 44 N -1.99 0.00 -0.25 -1.40 2.13 -1.26 -4.55 120.64 113.31 1sus n GLU 44 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1sus n GLU 44 Cb 0.00 -0.16 0.18 0.00 0.27 0.00 0.00 31.44 31.73 1sus n GLU 44 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sus h ALA 45 N 0.00 0.88 -0.42 4.31 0.00 -1.96 0.22 119.26 122.29 1sus h ALA 45 Ca 0.00 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1sus h ALA 45 Cb 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 1sus h ALA 45 CO 0.00 -0.40 -0.18 0.52 0.00 0.00 0.00 179.25 179.19 1sus h MET 46 N 0.17 -0.09 -0.67 0.00 2.86 -1.80 0.49 114.93 115.88 1sus h MET 46 Ca 0.42 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.10 1sus h MET 46 Cb 0.75 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 1sus h MET 46 CO -0.60 -0.06 0.42 0.87 1.06 0.00 0.00 176.91 178.59 1sus h LYS 47 N -0.09 0.79 0.41 1.72 1.79 -0.95 -1.36 116.57 118.87 1sus h LYS 47 Ca 0.21 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1sus h LYS 47 Cb 0.41 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1sus h LYS 47 CO -0.49 0.52 -0.20 1.49 -1.08 0.00 0.00 179.45 179.70 1sus h GLU 48 N 0.81 -0.53 -0.23 3.15 4.81 0.74 -1.37 114.58 121.96 1sus h GLU 48 Ca 0.27 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 1sus h GLU 48 Cb 0.02 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 1sus h GLU 48 CO -0.11 -0.33 -0.40 1.25 -0.73 0.00 0.00 179.01 178.69 1sus h LEU 49 N -0.58 -1.29 -0.71 1.64 5.85 0.16 -1.96 115.31 118.42 1sus h LEU 49 Ca -0.06 0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1sus h LEU 49 Cb 0.44 0.54 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 1sus h LEU 49 CO 0.09 -0.39 0.34 0.03 -0.34 0.00 0.00 178.44 178.17 1sus h ARG 50 N -0.41 0.56 -0.96 1.25 3.08 -1.18 0.14 114.38 116.86 1sus h ARG 50 Ca 0.10 -0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.39 1sus h ARG 50 Cb 0.60 -0.13 -0.18 0.00 0.08 0.00 0.00 29.97 30.34 1sus h ARG 50 CO -0.46 0.37 0.07 0.93 -1.07 0.00 0.00 179.97 179.81 1sus h GLU 51 N 0.58 0.03 0.00 0.04 5.08 -0.44 0.18 114.58 120.05 1sus h GLU 51 Ca 0.35 -0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.43 1sus h GLU 51 Cb 0.39 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1sus h GLU 51 CO -0.28 0.02 -1.69 0.28 -1.00 0.00 0.00 179.01 176.34 1sus n VAL 52 N -5.45 1.57 0.74 3.13 0.31 -0.75 -3.92 118.33 113.96 1sus n VAL 52 Ca 0.23 -0.79 0.03 0.00 -0.01 0.00 0.00 64.34 63.81 1sus n VAL 52 Cb 0.75 -1.00 0.21 0.00 -0.91 0.00 0.00 33.84 32.89 1sus n VAL 52 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1sus n THR 53 N -3.03 0.00 1.10 2.52 -1.04 0.53 -0.54 114.28 113.82 1sus n THR 53 Ca -0.16 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.97 1sus n THR 53 Cb 1.03 -0.60 0.18 0.00 -1.82 0.00 0.00 70.33 69.12 1sus n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sus n ALA 54 N -0.79 2.52 -0.10 2.41 0.00 -0.64 -4.33 120.51 119.58 1sus n ALA 54 Ca 0.05 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 1sus n ALA 54 Cb 0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 1sus n ALA 54 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sus n LYS 55 N 1.06 0.53 -1.59 0.00 0.00 0.30 -4.88 118.16 113.59 1sus n LYS 55 Ca 0.15 0.51 -0.56 0.00 -0.00 0.00 0.00 58.31 58.41 1sus n LYS 55 Cb 0.55 -1.69 -0.08 0.00 -0.00 0.00 0.00 35.03 33.81 1sus n LYS 55 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1sus n HIS 56 N -4.47 1.83 -0.68 5.58 1.44 -1.26 -4.76 115.22 112.90 1sus n HIS 56 Ca -0.26 0.50 0.52 0.00 -2.01 0.00 0.00 57.72 56.47 1sus n HIS 56 Cb 0.57 -2.46 0.81 0.00 0.12 0.00 0.00 29.99 29.03 1sus n HIS 56 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1sus h PRO 57 N 8.81 0.00 -1.35 -1.40 0.11 -1.94 -0.44 132.00 135.79 1sus h PRO 57 Ca -0.37 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.03 1sus h PRO 57 Cb 1.33 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.16 1sus h PRO 57 CO 0.99 0.00 0.95 0.91 -0.21 0.00 0.00 178.00 180.64 1sus n TRP 58 N -3.90 3.15 0.87 0.65 8.01 -1.26 -4.56 117.44 120.40 1sus n TRP 58 Ca 0.43 -2.78 0.11 0.00 -1.31 0.00 0.00 57.50 53.95 1sus n TRP 58 Cb 1.99 -1.36 0.51 0.00 -2.01 0.00 0.00 31.31 30.44 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 -0.79 0.00 0.00 -0.99 0.23 -0.18 -3.04 115.26 110.50 1sus n ASN 59 Ca 0.60 0.32 0.05 0.00 -0.53 0.00 0.00 54.58 55.02 1sus n ASN 59 Cb 0.51 -0.43 0.30 0.00 -2.08 0.00 0.00 39.78 38.07 1sus n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sus n ILE 60 N -1.43 0.45 -0.10 1.53 0.13 -1.26 -2.16 119.36 116.52 1sus n ILE 60 Ca 0.07 0.11 -0.10 0.00 -1.10 0.00 0.00 62.75 61.74 1sus n ILE 60 Cb 0.24 -0.93 -0.15 0.00 -0.84 0.00 0.00 39.64 37.95 1sus n ILE 60 CO 0.00 0.00 0.00 0.23 2.80 0.00 0.00 176.55 179.58 1sus n MET 61 N -1.17 0.85 -1.38 9.51 2.81 -1.17 -5.01 117.12 121.56 1sus n MET 61 Ca 0.06 -0.00 -0.48 0.00 -1.81 0.00 0.00 57.70 55.47 1sus n MET 61 Cb 0.07 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 1sus n MET 61 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1sus n THR 62 N -2.73 1.78 -2.50 2.03 -1.04 -0.92 -4.86 114.28 106.05 1sus n THR 62 Ca -0.32 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 60.83 1sus n THR 62 Cb 1.12 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.60 1sus n THR 62 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1sus s THR 63 N -0.89 4.10 0.29 12.58 2.01 -1.26 -4.99 115.64 127.48 1sus s THR 63 Ca 0.65 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.96 1sus s THR 63 Cb -0.94 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 67.44 1sus s THR 63 CO 0.55 0.18 1.30 -0.94 -0.69 0.00 0.00 174.62 175.01 1sus s SER 64 N 0.65 6.85 0.38 3.53 1.04 -1.26 -4.80 113.70 120.08 1sus s SER 64 Ca 0.54 2.57 0.15 0.00 0.48 0.00 0.00 55.95 59.70 1sus s SER 64 Cb -0.28 -2.63 1.02 0.00 0.10 0.00 0.00 66.02 64.23 1sus s SER 64 CO 0.31 -0.50 1.79 0.00 0.98 0.00 0.00 173.24 175.81 1sus h ALA 65 N 4.07 2.10 -0.77 5.32 0.00 -1.98 0.46 119.26 128.46 1sus h ALA 65 Ca -0.47 0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.64 1sus h ALA 65 Cb 1.22 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1sus h ALA 65 CO 0.70 -0.48 0.31 0.38 0.00 0.00 0.00 179.25 180.15 1sus h ASP 66 N 0.47 0.28 1.08 0.00 3.04 -1.98 0.63 116.42 119.94 1sus h ASP 66 Ca 0.57 0.11 -0.17 0.00 -3.24 0.00 0.00 57.03 54.30 1sus h ASP 66 Cb 1.32 0.09 -0.03 0.00 -1.04 0.00 0.00 39.33 39.67 1sus h ASP 66 CO -0.30 0.09 -0.96 -0.08 -2.04 0.00 0.00 179.24 175.95 1sus h GLU 67 N 0.44 0.00 0.03 4.15 4.81 -0.56 -3.32 114.58 120.13 1sus h GLU 67 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1sus h GLU 67 Cb 0.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1sus h GLU 67 CO -0.42 0.61 -0.03 0.78 -0.73 0.00 0.00 179.01 179.22 1sus h GLY 68 N 3.39 -0.06 0.48 1.92 0.00 0.13 -2.50 103.07 106.42 1sus h GLY 68 Ca -0.07 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.39 1sus h GLY 68 CO 0.08 -0.04 0.30 -1.61 0.00 0.00 0.00 176.54 175.28 1sus h GLN 69 N -0.08 0.52 -0.91 4.80 4.15 -1.25 -1.19 115.11 121.15 1sus h GLN 69 Ca 0.00 -0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.57 1sus h GLN 69 Cb 0.08 -0.12 -0.10 0.00 0.21 0.00 0.00 27.48 27.55 1sus h GLN 69 CO -0.01 0.34 0.49 0.35 -1.93 0.00 0.00 178.83 178.07 1sus h PHE 70 N 0.53 0.86 0.33 3.99 3.57 -1.55 -1.52 116.94 123.16 1sus h PHE 70 Ca 0.32 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1sus h PHE 70 Cb 0.34 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1sus h PHE 70 CO -0.12 0.16 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.89 1sus h LEU 71 N 0.64 -0.38 -0.99 0.59 3.38 -0.93 -2.08 115.31 115.53 1sus h LEU 71 Ca 0.52 -0.13 0.37 0.00 0.09 0.00 0.00 57.88 58.73 1sus h LEU 71 Cb 0.81 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 1sus h LEU 71 CO -0.40 -0.07 0.50 0.28 0.09 0.00 0.00 178.44 178.84 1sus h SER 72 N -0.71 0.31 0.17 -0.43 0.02 -0.78 -0.42 113.55 111.71 1sus h SER 72 Ca -0.05 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1sus h SER 72 Cb 0.49 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1sus h SER 72 CO 0.08 -0.32 -0.08 -0.03 -1.14 0.00 0.00 176.83 175.34 1sus h MET 73 N 0.12 -0.22 -1.21 3.45 1.85 -1.23 -3.06 114.93 114.63 1sus h MET 73 Ca 0.78 0.01 0.44 0.00 -0.61 0.00 0.00 59.70 60.33 1sus h MET 73 Cb 1.93 0.05 -0.15 0.00 0.43 0.00 0.00 31.60 33.86 1sus h MET 73 CO -0.72 -0.14 0.75 -0.11 -0.40 0.00 0.00 176.91 176.28 1sus n LEU 74 N -3.12 0.25 0.01 3.39 7.94 -0.54 0.63 117.00 125.56 1sus n LEU 74 Ca -0.03 1.43 -0.10 0.00 -1.11 0.00 0.00 56.01 56.21 1sus n LEU 74 Cb 0.09 -0.70 0.05 0.00 0.53 0.00 0.00 43.42 43.38 1sus n LEU 74 CO 0.07 -1.58 0.46 -0.07 -1.11 0.00 0.00 177.39 175.16 1sus h LEU 75 N 0.00 0.61 0.13 -1.96 4.07 -1.18 -3.21 115.31 113.77 1sus h LEU 75 Ca 0.84 -0.34 -0.28 0.00 0.08 0.00 0.00 57.88 58.18 1sus h LEU 75 Cb 2.56 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 44.14 1sus h LEU 75 CO -0.55 1.06 -1.27 0.11 -1.08 0.00 0.00 178.44 176.71 1sus h LYS 76 N 0.41 0.34 -0.01 1.13 1.57 0.30 0.29 116.57 120.61 1sus h LYS 76 Ca 0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1sus h LYS 76 Cb 1.13 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1sus h LYS 76 CO 0.11 1.26 0.00 1.28 -0.57 0.00 0.00 179.45 181.53 1sus n LEU 77 N -3.59 0.01 0.00 2.94 4.77 0.02 -2.49 117.00 118.65 1sus n LEU 77 Ca -0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1sus n LEU 77 Cb 1.03 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1sus n LEU 77 CO 0.55 0.00 0.00 2.30 -1.33 0.00 0.00 177.39 178.91 1sus n ILE 78 N -0.49 0.00 -2.77 -0.08 -5.35 -1.19 -5.03 119.36 104.45 1sus n ILE 78 Ca 0.00 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1sus n ILE 78 Cb 0.00 0.39 -0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1sus n ILE 78 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1sus n ASN 79 N 0.00 -7.74 -4.50 7.28 3.02 1.00 -4.89 115.26 109.43 1sus n ASN 79 Ca 0.00 1.34 -0.43 0.00 -0.03 0.00 0.00 54.58 55.46 1sus n ASN 79 Cb 0.00 -4.97 -0.04 0.00 -0.61 0.00 0.00 39.78 34.15 1sus n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sus s ALA 80 N -1.55 3.18 -0.00 5.41 0.00 -1.01 -4.92 121.76 122.87 1sus s ALA 80 Ca -0.01 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1sus s ALA 80 Cb 0.00 -3.71 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 1sus s ALA 80 CO 0.71 -2.41 0.41 0.87 0.00 0.00 0.00 175.76 175.33 1sus h LYS 81 N 9.32 -0.02 -5.75 0.00 1.79 -1.94 -3.41 116.57 116.57 1sus h LYS 81 Ca -0.27 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.53 1sus h LYS 81 Cb 1.08 0.01 -0.25 0.00 -1.58 0.00 0.00 32.23 31.48 1sus h LYS 81 CO 1.09 -0.02 -0.76 1.21 -1.08 0.00 0.00 179.45 179.90 1sus s ASN 82 N -2.70 4.09 0.21 0.86 2.47 -1.26 -3.42 114.94 115.19 1sus s ASN 82 Ca -0.00 -0.25 0.04 0.00 0.42 0.00 0.00 52.86 53.07 1sus s ASN 82 Cb 0.00 -1.30 -0.01 0.00 -1.45 0.00 0.00 41.25 38.48 1sus s ASN 82 CO 0.01 0.25 0.20 0.35 -3.72 0.00 0.00 177.10 174.19 1sus n THR 83 N 2.98 0.00 -3.71 -5.21 -2.24 -1.07 -0.39 114.28 104.65 1sus n THR 83 Ca -0.18 -1.45 -0.13 0.00 -2.27 0.00 0.00 64.05 60.02 1sus n THR 83 Cb 0.53 0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 69.41 1sus n THR 83 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1sus s MET 84 N -2.79 0.57 -0.10 -0.78 1.75 0.53 -2.81 119.30 115.68 1sus s MET 84 Ca 0.24 0.63 -0.02 0.00 -1.25 0.00 0.00 55.69 55.29 1sus s MET 84 Cb 0.01 0.28 0.03 0.00 2.84 0.00 0.00 34.83 37.99 1sus s MET 84 CO 0.17 -0.08 0.01 -2.00 -0.65 0.00 0.00 175.02 172.47 1sus s GLU 85 N 0.17 0.66 -0.51 4.11 2.12 -1.12 -1.03 118.70 123.10 1sus s GLU 85 Ca -0.01 -0.03 -0.18 0.00 0.36 0.00 0.00 54.97 55.11 1sus s GLU 85 Cb -0.03 -1.27 0.07 0.00 0.26 0.00 0.00 34.13 33.16 1sus s GLU 85 CO 0.01 -0.38 0.58 0.42 -0.54 0.00 0.00 175.26 175.35 1sus s ILE 86 N 1.94 4.96 0.00 -3.70 1.01 -0.55 -2.37 121.20 122.48 1sus s ILE 86 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1sus s ILE 86 Cb -0.13 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1sus s ILE 86 CO -0.06 -0.79 0.00 0.61 0.00 0.00 0.00 174.94 174.70 1sus n GLY 87 N 5.19 3.17 0.00 6.18 0.00 0.23 -1.68 105.19 118.28 1sus n GLY 87 Ca -0.08 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.55 0.00 -2.79 1.61 0.31 -1.26 -4.74 118.33 112.01 1sus n VAL 88 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1sus n VAL 88 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.93 -3.02 0.00 3.52 9.36 -1.26 -2.88 117.16 121.94 1sus n TYR 89 Ca 0.00 1.64 0.00 0.00 3.32 0.00 0.00 57.90 62.86 1sus n TYR 89 Cb 0.00 -3.06 0.00 0.00 -0.63 0.00 0.00 39.34 35.65 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 1.63 0.00 -2.92 2.97 -1.04 -1.24 -4.28 114.28 109.41 1sus n THR 90 Ca -0.20 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.71 1sus n THR 90 Cb 0.37 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.91 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 0.28 0.07 3.41 0.00 -1.14 -4.49 105.19 103.32 1sus n GLY 91 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.11 -0.06 0.00 1.61 5.03 -1.81 0.48 116.97 121.12 1sus h TYR 92 Ca -0.24 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.06 1sus h TYR 92 Cb 1.16 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.45 1sus h TYR 92 CO 0.21 0.25 0.00 -1.13 -1.32 0.00 0.00 178.16 176.17 1sus n SER 93 N -4.97 0.00 -0.11 -2.11 3.41 -1.26 -2.63 113.62 105.95 1sus n SER 93 Ca -0.08 -0.40 -0.21 0.00 -0.26 0.00 0.00 58.87 57.92 1sus n SER 93 Cb 0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1sus n SER 93 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sus n LEU 94 N -0.98 1.81 -0.35 1.04 -0.00 -0.41 -3.75 117.00 114.36 1sus n LEU 94 Ca 0.09 0.31 0.29 0.00 -0.00 0.00 0.00 56.01 56.70 1sus n LEU 94 Cb 0.04 -0.73 0.61 0.00 -0.00 0.00 0.00 43.42 43.34 1sus n LEU 94 CO 0.07 0.23 1.26 0.25 -0.00 0.00 0.00 177.39 179.20 1sus h LEU 95 N -0.91 0.27 0.43 -1.96 6.46 0.15 0.22 115.31 119.97 1sus h LEU 95 Ca -0.42 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.39 1sus h LEU 95 Cb 1.33 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 1sus h LEU 95 CO -0.25 0.02 -0.20 0.00 -0.62 0.00 0.00 178.44 177.38 1sus h ALA 96 N 1.54 -0.57 -0.94 1.25 0.00 -1.72 -1.70 119.26 117.12 1sus h ALA 96 Ca 0.63 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.64 1sus h ALA 96 Cb 1.94 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.81 1sus h ALA 96 CO -0.22 -0.58 0.37 1.15 0.00 0.00 0.00 179.25 179.97 1sus h THR 97 N -1.05 0.29 0.16 0.00 2.02 -0.75 0.11 112.91 113.68 1sus h THR 97 Ca -0.06 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1sus h THR 97 Cb 0.54 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1sus h THR 97 CO 0.10 0.04 -0.08 0.00 0.37 0.00 0.00 175.52 175.95 1sus h ALA 98 N 1.82 -0.90 -0.47 6.16 0.00 -0.91 -0.26 119.26 124.69 1sus h ALA 98 Ca 0.64 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.64 1sus h ALA 98 Cb 1.38 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1sus h ALA 98 CO -0.65 -0.89 0.68 -0.07 0.00 0.00 0.00 179.25 178.32 1sus h LEU 99 N -0.24 0.00 0.07 0.00 3.38 -0.62 -2.10 115.31 115.80 1sus h LEU 99 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sus h LEU 99 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1sus h LEU 99 CO 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.53 1sus h ALA 100 N 1.09 -0.18 -2.46 1.53 0.00 -0.58 -3.46 119.26 115.20 1sus h ALA 100 Ca 0.23 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.54 1sus h ALA 100 Cb 1.58 0.03 0.18 0.00 0.00 0.00 0.00 17.79 19.59 1sus h ALA 100 CO -0.00 -0.17 -0.44 0.44 0.00 0.00 0.00 179.25 179.08 1sus n ILE 101 N -3.25 1.98 0.00 0.00 -6.64 -0.13 -4.95 119.36 106.38 1sus n ILE 101 Ca -0.01 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.51 1sus n ILE 101 Cb 0.03 -0.68 0.00 0.00 -1.44 0.00 0.00 39.64 37.56 1sus n ILE 101 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1sus n PRO 102 N -0.24 1.98 -0.00 6.28 -0.04 -1.26 -4.92 135.00 136.80 1sus n PRO 102 Ca 0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1sus n PRO 102 Cb 0.49 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 1sus n PRO 102 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sus n GLU 103 N 0.00 0.50 -0.07 0.54 4.07 -1.26 -4.27 120.64 120.15 1sus n GLU 103 Ca 0.00 -0.02 0.06 0.00 -0.06 0.00 0.00 57.16 57.14 1sus n GLU 103 Cb 0.00 -1.44 0.10 0.00 -0.06 0.00 0.00 31.44 30.04 1sus n GLU 103 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1sus n ASP 104 N -1.56 2.43 -4.80 4.31 5.75 -1.26 -4.98 116.55 116.45 1sus n ASP 104 Ca 0.03 -1.70 -0.38 0.00 -0.01 0.00 0.00 54.79 52.73 1sus n ASP 104 Cb 0.33 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.05 2.39 0.19 6.12 0.00 -1.25 -4.91 107.32 108.81 1sus s GLY 105 Ca 0.19 -0.29 0.11 0.00 0.00 0.00 0.00 44.72 44.73 1sus s GLY 105 CO 0.17 0.27 -0.22 0.54 0.00 0.00 0.00 173.10 173.86 1sus s LYS 106 N -0.48 1.61 0.18 2.90 3.01 -1.22 -4.76 119.74 120.97 1sus s LYS 106 Ca 0.22 -1.50 0.09 0.00 -1.01 0.00 0.00 55.97 53.78 1sus s LYS 106 Cb -0.15 -1.89 -0.04 0.00 -1.01 0.00 0.00 37.83 34.73 1sus s LYS 106 CO 0.10 0.40 -0.13 0.42 0.51 0.00 0.00 175.35 176.66 1sus s ILE 107 N -1.71 3.02 -0.71 2.17 1.01 0.55 -2.61 121.20 122.91 1sus s ILE 107 Ca 0.22 -1.72 0.04 0.00 0.00 0.00 0.00 60.65 59.19 1sus s ILE 107 Cb -0.08 -2.49 0.17 0.00 0.01 0.00 0.00 42.46 40.08 1sus s ILE 107 CO 0.11 -0.10 0.51 -0.76 0.00 0.00 0.00 174.94 174.70 1sus s LEU 108 N -2.77 4.89 0.47 2.97 2.01 -1.13 -0.30 118.68 124.82 1sus s LEU 108 Ca 0.24 -3.78 -0.20 0.00 0.01 0.00 0.00 54.13 50.39 1sus s LEU 108 Cb -0.09 -1.67 -0.09 0.00 0.01 0.00 0.00 46.19 44.35 1sus s LEU 108 CO 0.14 -0.11 1.01 0.00 1.01 0.00 0.00 176.35 178.41 1sus s ALA 109 N -1.36 2.92 -0.18 4.21 0.00 -0.93 -2.79 121.76 123.63 1sus s ALA 109 Ca 0.25 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 1sus s ALA 109 Cb -0.06 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.92 1sus s ALA 109 CO -0.15 -0.19 0.37 -1.64 0.00 0.00 0.00 175.76 174.15 1sus s MET 110 N -3.21 0.27 -0.17 0.00 -1.94 -1.00 -2.07 119.30 111.17 1sus s MET 110 Ca 0.66 0.91 -0.09 0.00 -1.71 0.00 0.00 55.69 55.46 1sus s MET 110 Cb -0.14 0.16 0.06 0.00 2.01 0.00 0.00 34.83 36.92 1sus s MET 110 CO 0.18 -0.29 0.41 0.34 -0.01 0.00 0.00 175.02 175.65 1sus s ASP 111 N 2.55 -0.46 0.27 3.03 -1.08 -1.26 0.76 116.67 120.48 1sus s ASP 111 Ca 0.00 0.90 -0.03 0.00 -0.52 0.00 0.00 52.55 52.90 1sus s ASP 111 Cb -0.12 0.85 0.57 0.00 -1.46 0.00 0.00 42.92 42.75 1sus s ASP 111 CO -0.12 -0.20 1.62 0.40 0.52 0.00 0.00 175.17 177.39 1sus h ILE 112 N 5.66 0.24 -3.62 4.11 2.04 -1.90 -3.30 117.51 120.74 1sus h ILE 112 Ca -0.33 -0.03 -0.67 0.00 1.00 0.00 0.00 64.86 64.83 1sus h ILE 112 Cb 1.17 0.14 -0.17 0.00 -0.74 0.00 0.00 36.82 37.21 1sus h ILE 112 CO 0.27 0.02 -0.24 0.21 0.00 0.00 0.00 178.15 178.41 1sus s ASN 113 N -5.13 6.20 0.09 1.72 3.84 -1.26 -3.83 114.94 116.57 1sus s ASN 113 Ca -0.13 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 52.61 1sus s ASN 113 Cb 0.25 -2.21 -0.25 0.00 -0.55 0.00 0.00 41.25 38.48 1sus s ASN 113 CO 0.76 -0.43 1.19 0.50 -2.79 0.00 0.00 177.10 176.34 1sus h LYS 114 N 8.54 0.16 -0.00 0.43 3.64 -1.92 -3.38 116.57 124.04 1sus h LYS 114 Ca -0.29 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1sus h LYS 114 Cb 1.13 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1sus h LYS 114 CO 0.73 1.12 -0.01 0.93 -2.27 0.00 0.00 179.45 179.96 1sus h GLU 115 N 0.04 -0.01 -0.94 1.90 5.08 -1.95 -1.43 114.58 117.28 1sus h GLU 115 Ca -0.09 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1sus h GLU 115 Cb 1.89 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 31.01 1sus h GLU 115 CO 0.17 -0.01 -0.46 0.09 -1.00 0.00 0.00 179.01 177.81 1sus n ASN 116 N -2.58 -0.81 -0.17 1.42 5.03 -1.26 0.10 115.26 117.00 1sus n ASN 116 Ca -0.00 1.66 -0.03 0.00 0.87 0.00 0.00 54.58 57.08 1sus n ASN 116 Cb 0.00 -0.30 0.04 0.00 -1.02 0.00 0.00 39.78 38.51 1sus n ASN 116 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1sus h TYR 117 N 0.00 -0.26 -0.17 3.10 3.20 -1.69 0.31 116.97 121.46 1sus h TYR 117 Ca 0.24 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1sus h TYR 117 Cb 0.47 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1sus h TYR 117 CO -0.90 -0.22 -0.02 0.93 -1.64 0.00 0.00 178.16 176.32 1sus h GLU 118 N 0.01 0.24 0.00 1.82 5.08 0.79 0.49 114.58 123.00 1sus h GLU 118 Ca 0.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1sus h GLU 118 Cb 0.38 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1sus h GLU 118 CO -0.52 0.28 -0.05 1.25 -1.00 0.00 0.00 179.01 178.97 1sus h LEU 119 N 0.24 0.00 -1.79 1.33 5.85 0.34 -0.83 115.31 120.44 1sus h LEU 119 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1sus h LEU 119 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1sus h LEU 119 CO 0.01 0.05 -0.00 0.61 -0.34 0.00 0.00 178.44 178.76 1sus n GLY 120 N -1.32 0.64 0.32 3.75 0.00 -0.05 -4.43 105.19 104.10 1sus n GLY 120 Ca -0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 4.04 0.89 -0.24 0.99 5.85 0.53 -3.02 115.31 124.34 1sus h LEU 121 Ca 0.00 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1sus h LEU 121 Cb 0.86 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1sus h LEU 121 CO 0.00 0.84 -0.08 -0.65 -0.34 0.00 0.00 178.44 178.21 1sus h PRO 122 N 0.93 -0.03 -1.81 5.25 0.11 -1.78 0.19 132.00 134.87 1sus h PRO 122 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1sus h PRO 122 Cb 0.26 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1sus h PRO 122 CO -0.01 -0.02 0.00 0.28 -0.21 0.00 0.00 178.00 178.04 1sus n VAL 123 N -5.24 1.31 0.00 3.15 0.31 -1.14 -1.23 118.33 115.48 1sus n VAL 123 Ca -0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1sus n VAL 123 Cb 0.17 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1sus n VAL 123 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1sus n ILE 124 N 1.37 0.00 0.09 2.52 5.41 -0.02 -4.66 119.36 124.07 1sus n ILE 124 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1sus n ILE 124 Cb 0.38 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.30 1sus n ILE 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1sus h LYS 125 N 0.00 0.14 -0.11 0.38 1.63 0.45 -1.16 116.57 117.90 1sus h LYS 125 Ca 0.00 -0.16 -0.09 0.00 -0.85 0.00 0.00 60.65 59.56 1sus h LYS 125 Cb 0.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1sus h LYS 125 CO 0.00 0.92 -0.27 -0.22 -3.45 0.00 0.00 179.45 176.43 1sus h LYS 126 N 0.07 0.37 -0.00 1.90 3.64 -1.41 -3.13 116.57 118.02 1sus h LYS 126 Ca -0.04 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1sus h LYS 126 Cb 1.50 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1sus h LYS 126 CO 0.13 0.87 -0.07 0.00 -2.27 0.00 0.00 179.45 178.11 1sus n ALA 127 N -2.48 2.67 -0.28 5.00 0.00 -1.22 -5.03 120.51 119.17 1sus n ALA 127 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1sus n ALA 127 Cb 0.46 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.26 -0.36 2.93 0.00 0.00 -0.44 -4.86 105.19 103.71 1sus n GLY 128 Ca 0.15 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.00 0.44 1.61 3.14 -1.26 -4.61 118.33 117.64 1sus n VAL 129 Ca 0.00 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 1sus n VAL 129 Cb 0.00 -0.39 0.47 0.00 -1.06 0.00 0.00 33.84 32.86 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 0.00 6.55 2.03 -1.89 -3.19 116.42 119.92 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 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 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 -2.43 0.00 -0.26 4.15 1.44 -1.26 -2.20 115.22 114.65 1sus n HIS 131 Ca 0.03 -0.31 0.00 0.00 -2.01 0.00 0.00 57.72 55.43 1sus n HIS 131 Cb 0.33 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.25 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 0.51 0.74 -2.84 -1.40 5.02 -1.20 -4.98 118.16 114.01 1sus n LYS 132 Ca 0.00 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 1sus n LYS 132 Cb 0.35 -0.24 -0.02 0.00 -0.02 0.00 0.00 35.03 35.10 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 -0.11 4.57 -1.12 -0.18 1.01 -0.94 0.20 121.20 124.64 1sus s ILE 133 Ca 0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 60.65 58.89 1sus s ILE 133 Cb 0.00 -4.87 0.05 0.00 0.01 0.00 0.00 42.46 37.64 1sus s ILE 133 CO 0.00 -1.63 1.60 -0.62 0.00 0.00 0.00 174.94 174.28 1sus s ASP 134 N 3.84 6.49 0.22 3.58 2.15 0.60 -4.90 116.67 128.65 1sus s ASP 134 Ca 0.38 -1.76 -0.23 0.00 0.43 0.00 0.00 52.55 51.36 1sus s ASP 134 Cb -0.03 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.93 1sus s ASP 134 CO -0.08 -1.52 0.79 0.12 -0.17 0.00 0.00 175.17 174.32 1sus s PHE 135 N 5.23 3.75 0.00 -5.34 5.36 -1.26 -2.18 117.98 123.54 1sus s PHE 135 Ca 0.51 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 1sus s PHE 135 Cb 0.01 -2.74 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 1sus s PHE 135 CO -0.02 0.37 0.00 0.54 -1.46 0.00 0.00 175.22 174.65 1sus n ARG 136 N 1.00 3.60 -3.68 10.12 3.00 -0.88 -4.96 116.66 124.86 1sus n ARG 136 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.72 1sus n ARG 136 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.92 1sus n ARG 136 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1sus s GLU 137 N 3.33 1.33 1.89 5.56 0.41 -1.26 -4.66 118.70 125.30 1sus s GLU 137 Ca 0.00 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 1sus s GLU 137 Cb 0.00 0.52 0.00 0.00 -1.78 0.00 0.00 34.13 32.87 1sus s GLU 137 CO 0.00 -0.56 0.00 0.41 -0.49 0.00 0.00 175.26 174.62 1sus n GLY 138 N -0.33 0.81 3.38 -1.39 0.00 -1.24 -4.77 105.19 101.64 1sus n GLY 138 Ca -0.12 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 0.21 -0.12 1.61 -0.02 -1.26 -3.83 135.00 131.59 1sus n PRO 139 Ca 0.00 0.08 -0.16 0.00 -2.02 0.00 0.00 63.50 61.40 1sus n PRO 139 Cb 0.00 -1.17 -0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1sus n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sus n ALA 140 N -0.69 1.46 -0.13 3.55 0.00 -1.26 -4.27 120.51 119.16 1sus n ALA 140 Ca 0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 53.44 52.36 1sus n ALA 140 Cb 0.36 -0.12 0.02 0.00 0.00 0.00 0.00 19.45 19.72 1sus n ALA 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sus h LEU 141 N 0.00 -0.38 -0.14 0.00 6.46 -1.97 -0.12 115.31 119.16 1sus h LEU 141 Ca -0.57 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.34 1sus h LEU 141 Cb 1.99 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 42.16 1sus h LEU 141 CO -0.06 -0.14 -0.01 -0.65 -0.62 0.00 0.00 178.44 176.96 1sus h PRO 142 N 0.01 0.03 0.00 5.25 0.11 -1.99 -0.42 132.00 134.99 1sus h PRO 142 Ca 0.21 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1sus h PRO 142 Cb 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1sus h PRO 142 CO -0.44 0.02 0.00 0.28 -0.21 0.00 0.00 178.00 177.65 1sus n VAL 143 N -5.14 1.18 1.01 3.15 0.31 -0.86 -1.28 118.33 116.72 1sus n VAL 143 Ca -0.04 0.30 0.12 0.00 -0.01 0.00 0.00 64.34 64.71 1sus n VAL 143 Cb 0.09 -1.14 0.32 0.00 -0.91 0.00 0.00 33.84 32.19 1sus n VAL 143 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1sus n LEU 144 N -1.43 2.31 -0.01 7.52 7.94 -0.11 -3.84 117.00 129.37 1sus n LEU 144 Ca 0.03 -0.91 0.06 0.00 -1.11 0.00 0.00 56.01 54.08 1sus n LEU 144 Cb 0.10 -0.10 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 1sus n LEU 144 CO 0.08 0.45 -0.71 0.47 -1.11 0.00 0.00 177.39 176.57 1sus n ASP 145 N 0.76 1.50 -0.31 1.96 8.00 -0.40 -4.16 116.55 123.90 1sus n ASP 145 Ca 0.17 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.79 1sus n ASP 145 Cb 0.45 1.62 0.29 0.00 -0.02 0.00 0.00 41.12 43.46 1sus n ASP 145 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1sus h GLU 146 N 0.00 0.49 0.19 -1.24 4.11 -1.66 -1.86 114.58 114.60 1sus h GLU 146 Ca -0.04 -0.03 -0.26 0.00 0.07 0.00 0.00 59.36 59.10 1sus h GLU 146 Cb 0.82 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 29.98 1sus h GLU 146 CO 0.00 0.32 -1.18 0.52 0.07 0.00 0.00 179.01 178.75 1sus h MET 147 N 0.50 0.40 -0.89 1.06 2.86 -1.81 -3.31 114.93 113.75 1sus h MET 147 Ca 0.54 -0.68 0.26 0.00 -2.06 0.00 0.00 59.70 57.76 1sus h MET 147 Cb 0.95 0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.83 1sus h MET 147 CO -0.47 1.33 0.90 0.82 1.06 0.00 0.00 176.91 180.54 1sus h ILE 148 N -0.14 0.19 0.42 -1.22 1.08 -1.50 -1.10 117.51 115.24 1sus h ILE 148 Ca -0.21 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1sus h ILE 148 Cb 1.89 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1sus h ILE 148 CO 0.20 0.00 -0.20 0.11 -0.69 0.00 0.00 178.15 177.56 1sus h LYS 149 N 0.00 -0.54 -5.81 2.37 1.57 -1.59 -3.42 116.57 109.14 1sus h LYS 149 Ca 0.42 0.04 -0.54 0.00 -1.87 0.00 0.00 60.65 58.70 1sus h LYS 149 Cb 2.21 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.65 1sus h LYS 149 CO -0.00 -0.35 1.56 -0.25 -0.57 0.00 0.00 179.45 179.84 1sus n ASP 150 N -5.15 2.78 0.22 0.86 8.00 -0.42 -4.78 116.55 118.06 1sus n ASP 150 Ca -0.07 -0.11 0.12 0.00 0.71 0.00 0.00 54.79 55.43 1sus n ASP 150 Cb 0.23 -1.56 0.62 0.00 -0.02 0.00 0.00 41.12 40.39 1sus n ASP 150 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1sus h GLU 151 N 17.02 0.00 -2.87 -1.24 4.11 -1.83 -2.82 114.58 126.96 1sus h GLU 151 Ca -0.33 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.47 1sus h GLU 151 Cb 1.26 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.10 1sus h GLU 151 CO 1.05 0.00 -0.46 1.63 0.07 0.00 0.00 179.01 181.30 1sus n LYS 152 N -2.39 2.24 0.00 1.06 4.76 -1.26 -4.34 118.16 118.22 1sus n LYS 152 Ca -0.02 -4.55 0.00 0.00 -2.87 0.00 0.00 58.31 50.88 1sus n LYS 152 Cb 0.21 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 1sus n LYS 152 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1sus n ASN 153 N 1.67 0.00 -4.76 4.39 4.05 -1.06 -5.10 115.26 114.45 1sus n ASN 153 Ca 0.23 -0.17 -0.40 0.00 0.45 0.00 0.00 54.58 54.69 1sus n ASN 153 Cb 0.37 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.34 1sus n ASN 153 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1sus s HIS 154 N 0.00 3.58 0.00 1.20 3.76 -1.26 -3.26 115.29 119.31 1sus s HIS 154 Ca 0.00 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 56.59 1sus s HIS 154 Cb 0.00 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.40 1sus s HIS 154 CO 0.00 -0.57 0.00 0.41 -0.85 0.00 0.00 174.74 173.73 1sus n GLY 155 N 1.30 0.32 0.00 -2.22 0.00 0.11 -4.82 105.19 99.87 1sus n GLY 155 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.26 0.00 -4.59 1.61 3.41 -0.80 -4.46 113.62 108.53 1sus n SER 156 Ca 0.00 -0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.20 1sus n SER 156 Cb 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.00 2.76 -0.04 7.33 1.51 0.06 -4.71 117.35 122.26 1sus s TYR 157 Ca 0.05 -0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.04 1sus s TYR 157 Cb 0.02 -1.44 -0.10 0.00 -0.11 0.00 0.00 41.96 40.34 1sus s TYR 157 CO 0.04 0.44 0.10 -0.25 -1.11 0.00 0.00 175.55 174.76 1sus n ASP 158 N 0.66 3.30 -3.68 2.29 8.00 0.48 -4.16 116.55 123.44 1sus n ASP 158 Ca -0.13 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.23 1sus n ASP 158 Cb 0.52 1.02 -0.14 0.00 -0.02 0.00 0.00 41.12 42.51 1sus n ASP 158 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1sus s PHE 159 N -2.35 -0.35 -0.15 1.24 5.36 -1.24 -4.55 117.98 115.93 1sus s PHE 159 Ca -0.03 0.85 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1sus s PHE 159 Cb 0.03 -0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.68 1sus s PHE 159 CO 0.30 -0.31 -0.12 0.42 -1.46 0.00 0.00 175.22 174.05 1sus s ILE 160 N 2.09 1.47 -0.42 3.12 1.01 -1.25 -0.34 121.20 126.87 1sus s ILE 160 Ca -0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1sus s ILE 160 Cb -0.12 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 41.00 1sus s ILE 160 CO -0.08 0.36 0.25 0.12 0.00 0.00 0.00 174.94 175.60 1sus s PHE 161 N 1.51 3.38 -0.73 3.97 5.36 -0.20 -0.57 117.98 130.70 1sus s PHE 161 Ca 0.03 -1.72 -0.19 0.00 -0.96 0.00 0.00 56.93 54.10 1sus s PHE 161 Cb -0.14 -3.05 0.12 0.00 -0.34 0.00 0.00 43.02 39.62 1sus s PHE 161 CO -0.10 -0.89 0.87 0.08 -1.46 0.00 0.00 175.22 173.73 1sus s VAL 162 N 1.37 4.82 -0.47 3.12 1.01 -1.01 -1.49 120.40 127.75 1sus s VAL 162 Ca 0.04 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.83 1sus s VAL 162 Cb -0.23 -4.60 0.26 0.00 0.00 0.00 0.00 36.38 31.80 1sus s VAL 162 CO 0.01 -1.27 0.61 -0.67 0.00 0.00 0.00 175.10 173.77 1sus n ASP 163 N 6.29 1.46 0.00 3.32 2.03 -0.68 -2.09 116.55 126.88 1sus n ASP 163 Ca 0.04 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1sus n ASP 163 Cb 0.45 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1sus n ASP 163 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sus n ALA 164 N 1.14 0.00 -1.67 -1.67 0.00 -1.18 -4.46 120.51 112.67 1sus n ALA 164 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.49 1sus n ALA 164 Cb 0.49 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.14 1sus n ALA 164 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sus n ASP 165 N 0.00 -0.40 0.00 0.00 5.68 -1.26 -5.05 116.55 115.52 1sus n ASP 165 Ca 0.00 -1.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 1sus n ASP 165 Cb 0.00 -0.94 0.00 0.00 -1.14 0.00 0.00 41.12 39.04 1sus n ASP 165 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sus n LYS 166 N -3.83 0.00 0.14 0.11 4.01 -1.26 -4.65 118.16 112.69 1sus n LYS 166 Ca 0.15 0.00 0.09 0.00 -0.51 0.00 0.00 58.31 58.04 1sus n LYS 166 Cb 0.53 -0.68 0.51 0.00 -0.51 0.00 0.00 35.03 34.88 1sus n LYS 166 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1sus n ASP 167 N -2.68 0.48 -0.61 4.39 5.68 -1.26 -0.93 116.55 121.62 1sus n ASP 167 Ca 0.00 0.72 0.11 0.00 -0.50 0.00 0.00 54.79 55.12 1sus n ASP 167 Cb 0.45 -0.78 0.02 0.00 -1.14 0.00 0.00 41.12 39.67 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 -2.15 2.27 0.16 -1.12 3.02 -1.26 -4.51 115.26 111.66 1sus n ASN 168 Ca -0.01 -1.63 -0.15 0.00 -0.03 0.00 0.00 54.58 52.75 1sus n ASN 168 Cb 0.04 0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 39.49 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 3.00 -1.13 -0.59 3.10 0.05 -1.30 0.14 116.97 120.24 1sus h TYR 169 Ca 0.00 0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.96 1sus h TYR 169 Cb 0.81 0.46 -0.03 0.00 1.01 0.00 0.00 36.73 38.99 1sus h TYR 169 CO 0.00 -0.52 0.42 1.25 -1.05 0.00 0.00 178.16 178.25 1sus h LEU 170 N -0.70 0.08 0.16 3.88 6.46 -1.79 -1.55 115.31 121.84 1sus h LEU 170 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1sus h LEU 170 Cb 0.69 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1sus h LEU 170 CO -0.18 0.04 -0.08 0.78 -0.62 0.00 0.00 178.44 178.39 1sus h ASN 171 N 0.09 -0.18 -0.97 1.25 2.35 -1.41 -3.27 115.58 113.43 1sus h ASN 171 Ca 0.28 0.01 0.30 0.00 -0.55 0.00 0.00 56.30 56.34 1sus h ASN 171 Cb 1.00 0.05 -0.18 0.00 0.05 0.00 0.00 38.32 39.24 1sus h ASN 171 CO -0.03 -0.03 0.16 -1.22 -1.65 0.00 0.00 177.43 174.66 1sus n TYR 172 N -3.14 0.76 -0.38 1.19 4.01 0.33 0.30 117.16 120.22 1sus n TYR 172 Ca -0.03 1.16 0.31 0.00 -0.16 0.00 0.00 57.90 59.19 1sus n TYR 172 Cb 0.08 -1.31 0.58 0.00 -0.31 0.00 0.00 39.34 38.38 1sus n TYR 172 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1sus h HIS 173 N 0.00 0.71 0.08 -0.72 2.76 -1.34 0.38 115.15 117.02 1sus h HIS 173 Ca 0.65 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.68 1sus h HIS 173 Cb 1.47 -0.18 0.02 0.00 1.55 0.00 0.00 27.41 30.27 1sus h HIS 173 CO -0.36 -0.23 -0.74 -0.22 -1.30 0.00 0.00 177.93 175.07 1sus h LYS 174 N 0.16 0.36 -1.04 5.26 1.63 -0.27 -2.33 116.57 120.34 1sus h LYS 174 Ca 0.79 -0.50 -0.48 0.00 -0.85 0.00 0.00 60.65 59.61 1sus h LYS 174 Cb 2.17 0.17 -0.26 0.00 -0.60 0.00 0.00 32.23 33.71 1sus h LYS 174 CO -0.54 1.19 0.62 0.54 -3.45 0.00 0.00 179.45 177.81 1sus n ARG 175 N -4.15 2.17 0.00 1.90 1.74 -0.04 -3.92 116.66 114.36 1sus n ARG 175 Ca -0.12 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 1sus n ARG 175 Cb 0.77 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1sus n ARG 175 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1sus n LEU 176 N -0.82 0.00 -0.12 0.55 7.94 0.11 -4.82 117.00 119.84 1sus n LEU 176 Ca 0.52 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.38 1sus n LEU 176 Cb 1.27 0.00 0.16 0.00 0.53 0.00 0.00 43.42 45.38 1sus n LEU 176 CO 0.57 0.00 0.91 -0.29 -1.11 0.00 0.00 177.39 177.46 1sus h ILE 177 N 0.00 1.24 -0.14 1.96 -0.00 -1.53 -2.70 117.51 116.34 1sus h ILE 177 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 64.86 63.90 1sus h ILE 177 Cb 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 36.82 37.62 1sus h ILE 177 CO 0.00 0.34 0.00 0.47 -0.00 0.00 0.00 178.15 178.96 1sus n ASP 178 N -4.23 1.21 0.04 2.19 8.00 -1.26 -3.27 116.55 119.23 1sus n ASP 178 Ca 0.03 -1.69 0.11 0.00 0.71 0.00 0.00 54.79 53.95 1sus n ASP 178 Cb 0.28 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.04 0.53 -0.07 0.64 7.99 -1.02 0.04 117.00 125.16 1sus n LEU 179 Ca 0.14 0.07 -0.14 0.00 -0.01 0.00 0.00 56.01 56.07 1sus n LEU 179 Cb 0.25 -0.06 -0.05 0.00 -0.11 0.00 0.00 43.42 43.45 1sus n LEU 179 CO 0.11 -0.03 -0.84 1.33 -1.51 0.00 0.00 177.39 176.45 1sus n VAL 180 N -2.22 1.21 -0.58 4.08 0.24 -1.25 -0.76 118.33 119.05 1sus n VAL 180 Ca -0.00 -0.04 0.01 0.00 -2.04 0.00 0.00 64.34 62.27 1sus n VAL 180 Cb 0.50 -1.91 -0.01 0.00 -1.47 0.00 0.00 33.84 30.95 1sus n VAL 180 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1sus n LYS 181 N -3.99 -0.28 0.00 7.34 5.02 -1.20 -4.38 118.16 120.68 1sus n LYS 181 Ca -0.25 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1sus n LYS 181 Cb 0.58 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 1sus n LYS 181 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1sus n VAL 182 N -2.98 0.00 -0.09 -0.18 0.31 -1.26 -3.33 118.33 110.79 1sus n VAL 182 Ca -0.01 0.00 0.24 0.00 -0.01 0.00 0.00 64.34 64.57 1sus n VAL 182 Cb 0.13 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.55 1sus n VAL 182 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1sus h GLY 183 N 0.00 0.00 -1.73 2.92 0.00 -1.83 -3.39 103.07 99.04 1sus h GLY 183 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.53 1sus h GLY 183 CO 0.00 0.00 -0.35 0.61 0.00 0.00 0.00 176.54 176.80 1sus n GLY 184 N -1.64 -1.84 0.00 4.60 0.00 -1.21 -4.69 105.19 100.41 1sus n GLY 184 Ca 0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1sus n GLY 184 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sus n VAL 185 N -2.97 0.00 -2.35 1.61 3.14 -0.85 -4.70 118.33 112.21 1sus n VAL 185 Ca -0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1sus n VAL 185 Cb 0.35 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.13 1sus n VAL 185 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1sus n ILE 186 N 0.00-13.42 -3.98 1.55 5.41 -1.23 -2.63 119.36 105.06 1sus n ILE 186 Ca 0.00 3.15 -0.30 0.00 1.00 0.00 0.00 62.75 66.60 1sus n ILE 186 Cb 0.00 -6.12 -0.16 0.00 -0.71 0.00 0.00 39.64 32.65 1sus n ILE 186 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1sus s GLY 187 N -0.60 1.22 -0.26 7.39 0.00 0.26 -1.68 107.32 113.65 1sus s GLY 187 Ca -0.01 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.32 1sus s GLY 187 CO 0.03 0.71 0.85 -0.19 0.00 0.00 0.00 173.10 174.50 1sus s TYR 188 N 1.43 3.28 0.10 1.90 1.51 -0.21 -2.41 117.35 122.96 1sus s TYR 188 Ca -0.01 1.10 -0.22 0.00 -1.01 0.00 0.00 57.07 56.93 1sus s TYR 188 Cb -0.16 -3.13 -0.07 0.00 -0.11 0.00 0.00 41.96 38.49 1sus s TYR 188 CO -0.08 -0.46 0.68 0.34 -1.11 0.00 0.00 175.55 174.91 1sus s ASP 189 N 1.40 7.21 0.00 2.29 2.15 -0.89 -1.58 116.67 127.26 1sus s ASP 189 Ca 0.36 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.77 1sus s ASP 189 Cb -0.15 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1sus s ASP 189 CO 0.09 0.21 0.00 0.59 -0.17 0.00 0.00 175.17 175.89 1sus n ASN 190 N 1.83 -1.58 0.00 -0.34 5.03 0.45 -4.85 115.26 115.79 1sus n ASN 190 Ca -0.07 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.40 1sus n ASN 190 Cb 0.50 -0.33 0.13 0.00 -1.02 0.00 0.00 39.78 39.06 1sus n ASN 190 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1sus n THR 191 N -2.78 0.00 0.33 3.41 -2.24 -1.23 -0.39 114.28 111.38 1sus n THR 191 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1sus n THR 191 Cb 0.11 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.74 0.69 -2.90 3.22 4.77 -1.07 -4.94 117.00 116.03 1sus n LEU 192 Ca 0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1sus n LEU 192 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1sus n LEU 192 CO 0.03 0.15 0.00 1.87 -1.33 0.00 0.00 177.39 178.11 1sus n TRP 193 N -0.73 0.00 0.00 -1.77 -0.00 0.47 -3.69 117.44 111.72 1sus n TRP 193 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 1sus n TRP 193 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.44 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 0.65 0.00 -4.27 5.87 2.85 -1.26 -3.55 115.26 115.56 1sus n ASN 194 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1sus n ASN 194 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1sus n ASN 194 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1sus s GLY 195 N 0.00 3.05 0.24 8.20 0.00 -1.26 -4.79 107.32 112.77 1sus s GLY 195 Ca 0.00 -3.72 0.17 0.00 0.00 0.00 0.00 44.72 41.17 1sus s GLY 195 CO 0.00 1.27 1.28 0.23 0.00 0.00 0.00 173.10 175.88 1sus h SER 196 N 6.72 0.00 -0.18 1.64 0.87 -1.63 -3.30 113.55 117.66 1sus h SER 196 Ca 0.15 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 1sus h SER 196 Cb 0.89 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.68 1sus h SER 196 CO 0.91 0.40 -0.68 0.55 -0.53 0.00 0.00 176.83 177.47 1sus n VAL 197 N -3.07 1.87 -1.15 2.23 3.14 -1.26 -5.03 118.33 115.06 1sus n VAL 197 Ca -0.01 -3.07 -0.31 0.00 -2.96 0.00 0.00 64.34 57.99 1sus n VAL 197 Cb 0.71 -0.14 0.12 0.00 -1.06 0.00 0.00 33.84 33.47 1sus n VAL 197 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1sus s VAL 198 N -3.04 2.92 1.02 1.55 0.11 -1.25 -4.99 120.40 116.73 1sus s VAL 198 Ca 0.39 0.30 -0.24 0.00 -2.93 0.00 0.00 61.98 59.50 1sus s VAL 198 Cb 0.38 -2.71 -0.14 0.00 -1.53 0.00 0.00 36.38 32.38 1sus s VAL 198 CO -0.06 -0.39 -1.15 0.00 -3.33 0.00 0.00 175.10 170.16 1sus n ALA 199 N -3.77 -5.44 -0.77 1.54 0.00 -1.26 -4.97 120.51 105.84 1sus n ALA 199 Ca 0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 53.44 52.22 1sus n ALA 199 Cb 0.54 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 19.08 1sus n ALA 199 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sus n PRO 200 N 1.67 -2.33 0.00 0.00 -0.02 -1.26 -4.23 135.00 128.82 1sus n PRO 200 Ca -0.01 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1sus n PRO 200 Cb 0.70 -0.58 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 1sus n PRO 200 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sus n PRO 201 N -2.72 0.00 0.00 0.52 -0.02 -1.26 0.10 135.00 131.62 1sus n PRO 201 Ca 0.04 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1sus n PRO 201 Cb 0.17 -1.12 0.26 0.00 -0.02 0.00 0.00 33.50 32.79 1sus n PRO 201 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sus n ASP 202 N -0.47 0.79 -4.47 2.55 8.00 -1.26 -4.76 116.55 116.93 1sus n ASP 202 Ca 0.00 -0.59 -0.43 0.00 0.71 0.00 0.00 54.79 54.48 1sus n ASP 202 Cb 0.00 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1sus n ASP 202 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sus s ALA 203 N -2.80 3.24 -1.12 2.24 0.00 0.28 -4.98 121.76 118.63 1sus s ALA 203 Ca 0.16 -1.65 -0.25 0.00 0.00 0.00 0.00 51.96 50.22 1sus s ALA 203 Cb 0.18 -3.64 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 1sus s ALA 203 CO 0.64 -2.38 2.04 -2.14 0.00 0.00 0.00 175.76 173.92 1sus s PRO 204 N 3.48 1.80 0.14 0.00 0.02 -1.26 -4.95 135.00 134.24 1sus s PRO 204 Ca 0.22 -0.73 0.04 0.00 0.02 0.00 0.00 61.00 60.55 1sus s PRO 204 Cb -0.17 -5.09 -0.04 0.00 0.02 0.00 0.00 34.50 29.22 1sus s PRO 204 CO 0.13 -4.75 0.17 -0.48 -0.33 0.00 0.00 177.00 171.73 1sus s LEU 205 N 14.15 3.96 1.23 -5.54 2.34 -1.26 -5.11 118.68 128.45 1sus s LEU 205 Ca 0.76 -0.02 -0.17 0.00 0.06 0.00 0.00 54.13 54.75 1sus s LEU 205 Cb -0.03 -2.57 0.26 0.00 -0.56 0.00 0.00 46.19 43.29 1sus s LEU 205 CO 0.15 0.08 0.61 0.54 -1.06 0.00 0.00 176.35 176.68 1sus n ARG 206 N -0.25 -2.93 0.00 1.48 1.74 -1.26 -4.76 116.66 110.68 1sus n ARG 206 Ca -0.08 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 1sus n ARG 206 Cb 0.54 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1sus n ARG 206 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1sus n LYS 207 N -4.01 0.00 -0.21 5.56 3.00 -1.26 -2.18 118.16 119.06 1sus n LYS 207 Ca 0.05 0.34 0.02 0.00 -0.00 0.00 0.00 58.31 58.72 1sus n LYS 207 Cb 0.55 -1.27 0.13 0.00 0.00 0.00 0.00 35.03 34.44 1sus n LYS 207 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.40 177.50 1sus h TYR 208 N 0.00 0.22 -0.38 5.64 -0.00 -1.98 -0.00 116.97 120.46 1sus h TYR 208 Ca 0.00 0.04 0.06 0.00 -0.00 0.00 0.00 58.73 58.83 1sus h TYR 208 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 36.68 1sus h TYR 208 CO 0.14 -0.05 0.08 -0.24 -0.00 0.00 0.00 178.16 178.08 1sus h VAL 209 N 0.26 0.81 -0.47 -0.90 3.04 -1.95 0.43 116.25 117.47 1sus h VAL 209 Ca 0.35 -0.07 0.04 0.00 -1.01 0.00 0.00 66.70 66.01 1sus h VAL 209 Cb 0.54 0.59 -0.03 0.00 -2.01 0.00 0.00 31.29 30.38 1sus h VAL 209 CO -0.44 0.04 0.31 -0.09 -1.01 0.00 0.00 177.57 176.38 1sus h ARG 210 N 0.20 0.47 0.26 4.17 2.43 -0.67 0.80 114.38 122.05 1sus h ARG 210 Ca 0.18 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1sus h ARG 210 Cb 0.21 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1sus h ARG 210 CO -0.24 0.31 -0.13 -0.92 -1.51 0.00 0.00 179.97 177.49 1sus h TYR 211 N 0.49 -0.33 0.00 2.20 3.20 0.92 -3.36 116.97 120.09 1sus h TYR 211 Ca 0.20 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1sus h TYR 211 Cb 0.17 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1sus h TYR 211 CO -0.00 -0.20 -0.22 1.88 -1.64 0.00 0.00 178.16 177.98 1sus h TYR 212 N -0.78 0.00 -0.92 -3.82 0.05 -0.19 -3.14 116.97 108.16 1sus h TYR 212 Ca -0.04 0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.90 1sus h TYR 212 Cb 0.27 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.85 1sus h TYR 212 CO 0.03 0.22 -0.33 -0.09 -1.05 0.00 0.00 178.16 176.94 1sus h ARG 213 N 0.00 -0.02 -0.55 4.88 2.43 -0.97 0.75 114.38 120.90 1sus h ARG 213 Ca -0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1sus h ARG 213 Cb 0.42 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 1sus h ARG 213 CO 0.03 -0.01 0.00 -0.44 -1.51 0.00 0.00 179.97 178.04 1sus h ASP 214 N -0.02 -0.23 -0.32 -3.80 5.19 -1.72 0.65 116.42 116.16 1sus h ASP 214 Ca 0.37 0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.78 1sus h ASP 214 Cb 0.62 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1sus h ASP 214 CO -0.94 -0.08 -0.32 -0.26 -3.12 0.00 0.00 179.24 174.52 1sus h PHE 215 N 0.12 0.94 0.07 4.55 0.04 -1.12 -2.70 116.94 118.84 1sus h PHE 215 Ca 0.28 -0.28 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1sus h PHE 215 Cb 0.43 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1sus h PHE 215 CO -0.33 1.06 -0.11 0.28 -0.60 0.00 0.00 178.31 178.61 1sus h VAL 216 N 0.56 0.74 -0.92 -0.55 2.07 -0.34 0.84 116.25 118.64 1sus h VAL 216 Ca 0.05 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.80 1sus h VAL 216 Cb 0.90 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1sus h VAL 216 CO 0.08 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.22 1sus h LEU 217 N -0.22 0.34 0.10 2.57 3.38 -0.86 0.22 115.31 120.84 1sus h LEU 217 Ca 0.02 0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 1sus h LEU 217 Cb 0.24 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.99 1sus h LEU 217 CO -0.06 0.12 -1.22 -0.08 0.09 0.00 0.00 178.44 177.29 1sus h GLU 218 N 0.33 0.64 -0.88 1.13 4.81 -0.70 -0.03 114.58 119.87 1sus h GLU 218 Ca 0.48 -0.83 0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1sus h GLU 218 Cb 1.33 0.27 -0.06 0.00 0.63 0.00 0.00 28.75 30.92 1sus h GLU 218 CO -0.16 1.38 0.56 1.25 -0.73 0.00 0.00 179.01 181.31 1sus h LEU 219 N 0.30 0.91 0.02 1.64 7.12 0.36 -1.97 115.31 123.69 1sus h LEU 219 Ca -0.18 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.83 1sus h LEU 219 Cb 1.89 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 1sus h LEU 219 CO 0.23 0.60 -0.01 0.78 -0.13 0.00 0.00 178.44 179.91 1sus h ASN 220 N 1.05 -0.02 -0.72 1.25 2.35 -0.93 0.18 115.58 118.74 1sus h ASN 220 Ca 0.37 -0.73 0.21 0.00 -0.55 0.00 0.00 56.30 55.60 1sus h ASN 220 Cb 0.09 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1sus h ASN 220 CO -0.15 0.78 0.69 0.11 -1.65 0.00 0.00 177.43 177.21 1sus h LYS 221 N -0.91 0.00 0.00 0.81 1.79 -0.90 -1.40 116.57 115.98 1sus h LYS 221 Ca -0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 1sus h LYS 221 Cb 0.75 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.33 1sus h LYS 221 CO 0.00 0.00 -2.45 0.00 -1.08 0.00 0.00 179.45 175.92 1sus n ALA 222 N -2.43 1.28 0.04 3.86 0.00 -0.75 -4.27 120.51 118.23 1sus n ALA 222 Ca 0.15 -1.07 0.02 0.00 0.00 0.00 0.00 53.44 52.54 1sus n ALA 222 Cb 0.94 -0.02 0.12 0.00 0.00 0.00 0.00 19.45 20.49 1sus n ALA 222 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1sus n LEU 223 N -3.80 0.11 -1.31 0.00 7.94 0.05 -0.22 117.00 119.77 1sus n LEU 223 Ca -0.49 0.52 0.07 0.00 -1.11 0.00 0.00 56.01 55.00 1sus n LEU 223 Cb 0.93 -0.53 0.32 0.00 0.53 0.00 0.00 43.42 44.67 1sus n LEU 223 CO 0.15 -0.56 0.78 0.00 -1.11 0.00 0.00 177.39 176.66 1sus n ALA 224 N -1.52 3.41 0.00 1.96 0.00 -0.59 -4.27 120.51 119.50 1sus n ALA 224 Ca -0.00 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.25 1sus n ALA 224 Cb 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1sus n ALA 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sus n VAL 225 N -0.09 0.00 -1.81 0.00 0.31 0.69 -5.05 118.33 112.37 1sus n VAL 225 Ca 0.25 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 64.05 1sus n VAL 225 Cb 1.03 0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 34.74 1sus n VAL 225 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sus s ASP 226 N -0.32 5.64 0.00 4.52 -1.08 -1.09 -4.86 116.67 119.48 1sus s ASP 226 Ca 0.00 1.53 0.05 0.00 -0.52 0.00 0.00 52.55 53.61 1sus s ASP 226 Cb 0.00 -2.52 0.29 0.00 -1.46 0.00 0.00 42.92 39.23 1sus s ASP 226 CO 0.00 -1.87 0.67 -2.65 0.52 0.00 0.00 175.17 171.84 1sus n PRO 227 N 8.61 0.34 -0.13 4.34 -0.02 -1.26 -2.31 135.00 144.56 1sus n PRO 227 Ca 0.26 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.82 1sus n PRO 227 Cb 0.46 -1.22 0.14 0.00 -0.02 0.00 0.00 33.50 32.86 1sus n PRO 227 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sus n ARG 228 N -0.72 2.05 -4.08 -0.52 1.74 -1.26 -4.44 116.66 109.43 1sus n ARG 228 Ca 0.04 -1.86 -0.09 0.00 -0.77 0.00 0.00 57.85 55.17 1sus n ARG 228 Cb 0.02 -1.32 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.10 0.12 -0.02 0.55 -4.36 -0.98 -2.31 121.20 113.09 1sus s ILE 229 Ca 0.25 -1.73 0.06 0.00 -0.26 0.00 0.00 60.65 58.96 1sus s ILE 229 Cb 0.14 -1.87 -0.09 0.00 1.25 0.00 0.00 42.46 41.90 1sus s ILE 229 CO 0.20 -0.53 0.10 -0.62 0.24 0.00 0.00 174.94 174.34 1sus n GLU 230 N -0.09 0.94 -0.65 0.37 1.02 -1.14 -4.84 120.64 116.27 1sus n GLU 230 Ca -0.08 -0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1sus n GLU 230 Cb 0.63 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.88 1sus n GLU 230 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1sus n ILE 231 N -1.84 0.00 0.00 -3.67 -5.35 -1.20 -4.91 119.36 102.39 1sus n ILE 231 Ca -0.03 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1sus n ILE 231 Cb 0.30 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.00 3.39 -0.39 0.00 -1.94 -1.26 -1.82 119.30 117.28 1sus s MET 233 Ca 0.00 -0.14 -0.14 0.00 -1.71 0.00 0.00 55.69 53.70 1sus s MET 233 Cb 0.00 -3.96 0.01 0.00 2.01 0.00 0.00 34.83 32.89 1sus s MET 233 CO 0.00 -1.16 0.28 -0.51 -0.01 0.00 0.00 175.02 173.61 1sus s LEU 234 N 3.36 4.92 0.00 -0.03 1.43 -0.70 -4.95 118.68 122.70 1sus s LEU 234 Ca 0.30 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1sus s LEU 234 Cb -0.12 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 1sus s LEU 234 CO 0.22 -0.38 0.31 -0.81 0.23 0.00 0.00 176.35 175.91 1sus n PRO 235 N 5.14 0.11 -3.45 1.29 -0.04 -1.26 -3.07 135.00 133.71 1sus n PRO 235 Ca -0.12 -0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 1sus n PRO 235 Cb 0.48 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 1sus n PRO 235 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sus s VAL 236 N 2.05 4.98 0.00 0.52 1.01 -1.26 -4.83 120.40 122.86 1sus s VAL 236 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1sus s VAL 236 Cb 0.01 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1sus s VAL 236 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1sus n GLY 237 N -0.15 2.45 0.76 4.51 0.00 -1.26 0.65 105.19 112.15 1sus n GLY 237 Ca -0.00 0.36 0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 5.06 2.84 0.00 1.61 2.03 -1.26 -4.52 116.55 122.31 1sus n ASP 238 Ca 0.00 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.46 1sus n ASP 238 Cb 0.00 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.87 3.40 3.36 0.27 0.00 0.21 -2.59 105.19 110.71 1sus n GLY 239 Ca 0.13 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.85 -0.97 -0.22 -0.61 1.01 -1.17 0.17 121.20 117.55 1sus s ILE 240 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 1sus s ILE 240 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1sus s ILE 240 CO 0.00 -0.00 0.33 -0.89 0.00 0.00 0.00 174.94 174.38 1sus s THR 241 N 2.85 5.24 -0.20 2.92 2.01 -0.61 -1.72 115.64 126.13 1sus s THR 241 Ca 0.08 0.54 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 1sus s THR 241 Cb -0.14 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1sus s THR 241 CO -0.20 0.27 -0.06 0.27 -0.69 0.00 0.00 174.62 174.21 1sus s ILE 242 N 1.34 3.31 0.39 1.82 -4.36 -0.76 -1.05 121.20 121.89 1sus s ILE 242 Ca 0.15 -0.52 0.08 0.00 -0.26 0.00 0.00 60.65 60.09 1sus s ILE 242 Cb -0.15 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.07 1sus s ILE 242 CO 0.07 0.45 0.43 0.00 0.24 0.00 0.00 174.94 176.13 1sus s ARG 244 N -4.17 0.19 -0.20 0.00 3.52 -1.25 -2.01 118.95 115.04 1sus s ARG 244 Ca 0.48 0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.92 1sus s ARG 244 Cb -0.07 -0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 32.87 1sus s ARG 244 CO 0.29 -0.16 1.26 0.50 -0.81 0.00 0.00 175.30 176.38 1sus s ARG 245 N 1.15 4.17 0.00 5.12 3.00 -1.26 -2.87 118.95 128.27 1sus s ARG 245 Ca -0.08 1.56 0.00 0.00 -1.00 0.00 0.00 55.73 56.21 1sus s ARG 245 Cb -0.13 -3.78 0.00 0.00 0.00 0.00 0.00 34.95 31.03 1sus s ARG 245 CO -0.02 -0.79 0.00 0.44 0.00 0.00 0.00 175.30 174.93 1sus n ILE 246 N 5.54 0.00 0.82 4.11 -5.35 -0.98 -4.30 119.36 119.20 1sus n ILE 246 Ca 0.14 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.72 1sus n ILE 246 Cb 0.45 -0.77 0.08 0.00 -1.74 0.00 0.00 39.64 37.66 1sus n ILE 246 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08