#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 -0.72 -0.53 3.14 3.41 -1.26 -4.98 113.62 112.68 1sus n SER 22 Ca 0.00 -0.78 0.12 0.00 -0.26 0.00 0.00 58.87 57.95 1sus n SER 22 Cb 0.00 -0.15 0.21 0.00 -0.26 0.00 0.00 64.21 64.01 1sus n SER 22 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sus n LEU 23 N 0.00 1.89 -4.83 1.04 4.77 -1.26 -4.95 117.00 113.65 1sus n LEU 23 Ca 0.02 -0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 55.07 1sus n LEU 23 Cb 0.09 -0.03 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 1sus n LEU 23 CO 0.06 0.33 0.79 -0.76 -1.33 0.00 0.00 177.39 176.49 1sus s LEU 24 N -2.30 2.11 0.00 2.23 1.43 -1.26 -4.93 118.68 115.97 1sus s LEU 24 Ca 0.25 0.45 0.16 0.00 -1.03 0.00 0.00 54.13 53.96 1sus s LEU 24 Cb 0.19 -2.46 0.92 0.00 0.03 0.00 0.00 46.19 44.87 1sus s LEU 24 CO 0.46 -3.04 1.39 0.00 0.23 0.00 0.00 176.35 175.39 1sus n GLN 25 N -4.00 0.44 0.00 1.70 10.64 -1.26 -4.79 117.38 120.11 1sus n GLN 25 Ca 0.14 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 1sus n GLN 25 Cb 0.60 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 1sus n GLN 25 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1sus n SER 26 N -1.06 0.00 0.28 2.61 3.41 -1.26 -5.00 113.62 112.60 1sus n SER 26 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1sus n SER 26 Cb 0.07 0.00 0.80 0.00 -0.26 0.00 0.00 64.21 64.83 1sus n SER 26 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sus h ASP 27 N 0.00 0.00 -0.35 4.04 3.32 -1.94 0.27 116.42 121.75 1sus h ASP 27 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1sus h ASP 27 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1sus h ASP 27 CO 0.00 0.01 0.16 0.00 -1.72 0.00 0.00 179.24 177.69 1sus h ALA 28 N 1.99 0.46 -0.04 3.45 0.00 -1.98 0.19 119.26 123.33 1sus h ALA 28 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sus h ALA 28 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1sus h ALA 28 CO 0.00 0.03 0.02 1.25 0.00 0.00 0.00 179.25 180.55 1sus h LEU 29 N 0.43 0.06 -0.72 0.00 5.85 -1.38 -1.30 115.31 118.25 1sus h LEU 29 Ca 0.12 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1sus h LEU 29 Cb 0.14 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1sus h LEU 29 CO -0.01 0.17 0.43 0.22 -0.34 0.00 0.00 178.44 178.90 1sus h TYR 30 N -0.06 0.79 -0.09 1.25 5.03 -1.04 -0.99 116.97 121.87 1sus h TYR 30 Ca 0.01 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1sus h TYR 30 Cb 0.12 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 1sus h TYR 30 CO -0.03 0.40 -0.06 1.96 -1.32 0.00 0.00 178.16 179.12 1sus h GLN 31 N 0.80 0.13 -0.46 1.82 1.08 -0.34 -2.27 115.11 115.87 1sus h GLN 31 Ca 0.31 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.48 1sus h GLN 31 Cb 0.14 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1sus h GLN 31 CO -0.16 0.20 0.23 -0.92 -0.95 0.00 0.00 178.83 177.22 1sus h TYR 32 N 0.13 0.66 0.17 2.96 3.20 0.01 -0.63 116.97 123.46 1sus h TYR 32 Ca 0.03 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1sus h TYR 32 Cb 0.19 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1sus h TYR 32 CO 0.00 0.52 -0.08 0.82 -1.64 0.00 0.00 178.16 177.78 1sus h ILE 33 N 0.60 0.88 -0.23 1.81 2.04 -1.14 0.23 117.51 121.70 1sus h ILE 33 Ca 0.16 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1sus h ILE 33 Cb 0.11 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1sus h ILE 33 CO -0.02 0.05 -0.25 -0.07 0.00 0.00 0.00 178.15 177.86 1sus h LEU 34 N -0.32 -0.78 -0.48 1.44 3.38 -1.25 0.30 115.31 117.59 1sus h LEU 34 Ca -0.02 0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1sus h LEU 34 Cb 0.25 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1sus h LEU 34 CO 0.04 -0.28 -0.51 -0.33 0.09 0.00 0.00 178.44 177.44 1sus h GLU 35 N -0.26 0.66 0.00 1.13 5.08 -1.06 0.43 114.58 120.56 1sus h GLU 35 Ca 0.13 -0.40 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1sus h GLU 35 Cb 0.46 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1sus h GLU 35 CO -0.38 1.02 -0.48 1.15 -1.00 0.00 0.00 179.01 179.32 1sus h THR 36 N 0.52 0.78 0.00 1.13 2.02 -0.29 -3.40 112.91 113.67 1sus h THR 36 Ca 0.02 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1sus h THR 36 Cb 1.07 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1sus h THR 36 CO 0.10 0.45 -0.01 -1.54 0.37 0.00 0.00 175.52 174.89 1sus n SER 37 N -3.21 0.07 -0.03 4.18 3.41 0.07 -4.92 113.62 113.19 1sus n SER 37 Ca 0.02 -0.07 -0.03 0.00 -0.26 0.00 0.00 58.87 58.54 1sus n SER 37 Cb 0.72 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.81 1sus n SER 37 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sus n VAL 38 N -0.15 0.50 -0.17 -3.33 0.31 -0.03 -4.52 118.33 110.94 1sus n VAL 38 Ca 0.00 0.35 -0.03 0.00 -0.01 0.00 0.00 64.34 64.66 1sus n VAL 38 Cb 0.00 -1.73 0.04 0.00 -0.91 0.00 0.00 33.84 31.24 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 -0.31 -0.25 0.00 3.52 0.04 -1.33 0.50 116.94 119.10 1sus h PHE 39 Ca 0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1sus h PHE 39 Cb 0.31 0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1sus h PHE 39 CO -0.13 -0.21 0.00 -0.35 -0.60 0.00 0.00 178.31 177.01 1sus n PRO 40 N -5.36 0.54 0.00 1.51 -0.04 -1.26 -3.46 135.00 126.93 1sus n PRO 40 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1sus n PRO 40 Cb 0.27 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1sus n PRO 40 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sus n ARG 41 N -0.78 2.13 -1.54 0.54 5.12 0.02 -5.09 116.66 117.06 1sus n ARG 41 Ca 0.07 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.67 1sus n ARG 41 Cb 0.03 -0.84 0.07 0.00 -1.16 0.00 0.00 32.46 30.56 1sus n ARG 41 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1sus s GLU 42 N -1.45 2.48 0.44 5.56 -1.05 -0.37 -5.01 118.70 119.31 1sus s GLU 42 Ca 0.00 1.40 -0.23 0.00 -0.15 0.00 0.00 54.97 55.99 1sus s GLU 42 Cb 0.00 -1.91 -0.08 0.00 -0.44 0.00 0.00 34.13 31.70 1sus s GLU 42 CO 0.00 -1.50 1.13 -1.58 0.95 0.00 0.00 175.26 174.26 1sus s HIS 43 N -2.43 2.98 0.26 4.83 5.65 -1.26 -4.94 115.29 120.38 1sus s HIS 43 Ca 0.67 1.56 -0.02 0.00 0.25 0.00 0.00 55.06 57.52 1sus s HIS 43 Cb -0.21 -3.31 0.53 0.00 -1.18 0.00 0.00 32.58 28.41 1sus s HIS 43 CO 0.46 -1.26 1.72 0.93 -0.65 0.00 0.00 174.74 175.94 1sus h GLU 44 N 2.15 0.42 -0.35 2.88 4.39 -1.99 -0.21 114.58 121.87 1sus h GLU 44 Ca -0.49 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.28 1sus h GLU 44 Cb 1.24 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1sus h GLU 44 CO 0.61 0.28 0.25 0.00 -1.16 0.00 0.00 179.01 178.99 1sus h ALA 45 N 1.59 2.30 -0.24 3.43 0.00 -1.94 -0.49 119.26 123.91 1sus h ALA 45 Ca 0.45 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.16 1sus h ALA 45 Cb 0.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sus h ALA 45 CO -0.44 -0.39 -0.59 0.52 0.00 0.00 0.00 179.25 178.34 1sus h MET 46 N 0.03 0.79 -0.24 0.00 2.86 -1.40 -1.43 114.93 115.54 1sus h MET 46 Ca 0.17 -0.53 -0.18 0.00 -2.06 0.00 0.00 59.70 57.10 1sus h MET 46 Cb 0.63 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1sus h MET 46 CO -0.01 1.15 -0.56 -0.22 1.06 0.00 0.00 176.91 178.34 1sus h LYS 47 N 0.59 0.80 -0.87 1.72 3.64 -1.29 -1.72 116.57 119.44 1sus h LYS 47 Ca 0.00 -0.54 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 1sus h LYS 47 Cb 1.19 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1sus h LYS 47 CO 0.13 1.17 0.48 1.49 -2.27 0.00 0.00 179.45 180.44 1sus h GLU 48 N 0.55 1.22 0.00 1.90 4.81 -1.10 -1.68 114.58 120.27 1sus h GLU 48 Ca -0.00 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 1sus h GLU 48 Cb 1.17 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1sus h GLU 48 CO 0.12 0.89 -0.57 1.25 -0.73 0.00 0.00 179.01 179.97 1sus h LEU 49 N 1.22 0.00 -0.42 1.64 5.85 -1.19 -2.26 115.31 120.15 1sus h LEU 49 Ca 0.31 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.92 1sus h LEU 49 Cb 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1sus h LEU 49 CO -0.05 0.57 -0.15 0.03 -0.34 0.00 0.00 178.44 178.50 1sus h ARG 50 N 0.00 0.85 -0.45 1.25 3.08 -0.61 -0.73 114.38 117.76 1sus h ARG 50 Ca -0.01 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 1sus h ARG 50 Cb 1.25 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1sus h ARG 50 CO 0.07 0.99 0.09 0.93 -1.07 0.00 0.00 179.97 180.98 1sus h GLU 51 N 0.67 0.74 0.14 0.04 5.08 -1.25 -1.70 114.58 118.29 1sus h GLU 51 Ca 0.10 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1sus h GLU 51 Cb 0.71 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1sus h GLU 51 CO 0.05 0.75 -0.10 0.28 -1.00 0.00 0.00 179.01 178.99 1sus h VAL 52 N 0.60 0.78 0.00 3.13 2.07 -1.22 -1.46 116.25 120.16 1sus h VAL 52 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1sus h VAL 52 Cb 0.36 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1sus h VAL 52 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1sus h THR 53 N -0.24 0.00 0.00 2.57 1.03 -1.05 -0.71 112.91 114.51 1sus h THR 53 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 1sus h THR 53 Cb 0.21 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 1sus h THR 53 CO -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.51 1sus h ALA 54 N 2.06 1.00 -0.57 0.00 0.00 -0.30 -3.10 119.26 118.36 1sus h ALA 54 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1sus h ALA 54 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1sus h ALA 54 CO 0.00 0.00 0.13 1.63 0.00 0.00 0.00 179.25 181.01 1sus n LYS 55 N -2.87 3.72 -2.59 0.00 5.02 -0.27 -4.92 118.16 116.25 1sus n LYS 55 Ca 0.04 -2.60 -0.42 0.00 -2.02 0.00 0.00 58.31 53.32 1sus n LYS 55 Cb 0.49 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 1sus n LYS 55 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1sus s HIS 56 N -2.54 3.58 0.20 2.13 2.46 -1.17 -4.91 115.29 115.04 1sus s HIS 56 Ca 0.46 1.55 0.01 0.00 0.47 0.00 0.00 55.06 57.55 1sus s HIS 56 Cb 0.36 -3.24 0.48 0.00 -0.13 0.00 0.00 32.58 30.05 1sus s HIS 56 CO 0.12 -0.52 1.01 -2.30 -2.47 0.00 0.00 174.74 170.59 1sus n PRO 57 N 3.69 -0.05 -3.60 2.88 -0.02 -1.26 -2.66 135.00 133.98 1sus n PRO 57 Ca 0.07 0.97 -0.28 0.00 -2.02 0.00 0.00 63.50 62.23 1sus n PRO 57 Cb 0.49 -1.53 -0.12 0.00 -0.02 0.00 0.00 33.50 32.32 1sus n PRO 57 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1sus s TRP 58 N -5.55 1.77 -1.14 6.00 -2.14 -1.26 -5.04 118.94 111.59 1sus s TRP 58 Ca -0.08 -2.43 -0.24 0.00 2.66 0.00 0.00 56.10 56.00 1sus s TRP 58 Cb 0.19 -1.55 -0.12 0.00 -3.10 0.00 0.00 33.47 28.89 1sus s TRP 58 CO 0.50 -0.76 1.98 0.54 -2.66 0.00 0.00 176.95 176.55 1sus s ASN 59 N 0.03 4.67 -0.01 -2.66 4.22 -1.09 -4.66 114.94 115.44 1sus s ASN 59 Ca 0.24 -1.43 0.20 0.00 -2.14 0.00 0.00 52.86 49.73 1sus s ASN 59 Cb -0.11 -2.59 0.59 0.00 1.28 0.00 0.00 41.25 40.42 1sus s ASN 59 CO -0.10 -3.44 1.49 2.30 -2.04 0.00 0.00 177.10 175.31 1sus n ILE 60 N 8.09 1.10 -0.96 0.54 -5.35 -1.26 -5.04 119.36 116.49 1sus n ILE 60 Ca 0.44 -1.03 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1sus n ILE 60 Cb 0.47 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 1sus n ILE 60 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 1sus n MET 61 N 1.35 0.00 0.00 6.28 0.00 -1.26 -5.17 117.12 118.32 1sus n MET 61 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.92 1sus n MET 61 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.83 1sus n MET 61 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1sus n THR 62 N 0.00 0.00 -2.31 3.17 5.66 -1.26 -5.00 114.28 114.54 1sus n THR 62 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1sus n THR 62 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1sus n THR 62 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1sus n THR 63 N 0.00 -1.10 -3.90 1.09 -1.04 -1.26 -4.99 114.28 103.08 1sus n THR 63 Ca 0.00 0.19 -0.30 0.00 -2.04 0.00 0.00 64.05 61.90 1sus n THR 63 Cb 0.00 -1.97 -0.15 0.00 -1.82 0.00 0.00 70.33 66.40 1sus n THR 63 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1sus s SER 64 N -0.39 4.45 0.55 8.00 0.01 -1.26 -4.98 113.70 120.09 1sus s SER 64 Ca 0.00 -2.02 0.39 0.00 1.31 0.00 0.00 55.95 55.63 1sus s SER 64 Cb 0.00 -1.33 1.56 0.00 0.21 0.00 0.00 66.02 66.46 1sus s SER 64 CO 0.00 -0.38 1.75 0.00 0.41 0.00 0.00 173.24 175.02 1sus h ALA 65 N 7.72 3.22 0.00 1.44 0.00 -2.02 0.61 119.26 130.22 1sus h ALA 65 Ca -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1sus h ALA 65 Cb 1.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1sus h ALA 65 CO 0.51 -1.62 -0.18 0.38 0.00 0.00 0.00 179.25 178.34 1sus h ASP 66 N 0.00 0.00 0.50 0.00 2.03 -1.98 -3.24 116.42 113.73 1sus h ASP 66 Ca 0.61 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.84 1sus h ASP 66 Cb 2.51 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 41.00 1sus h ASP 66 CO -0.01 0.18 -0.33 -0.33 -1.03 0.00 0.00 179.24 177.72 1sus h GLU 67 N 0.00 0.00 0.05 4.15 5.08 -1.24 -2.35 114.58 120.27 1sus h GLU 67 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1sus h GLU 67 Cb 0.84 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.10 1sus h GLU 67 CO 0.02 0.33 -1.11 0.78 -1.00 0.00 0.00 179.01 178.03 1sus h GLY 68 N 1.32 0.65 1.36 -3.84 0.00 -1.69 -0.99 103.07 99.88 1sus h GLY 68 Ca -0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.04 1sus h GLY 68 CO 0.04 1.09 0.11 -1.61 0.00 0.00 0.00 176.54 176.18 1sus h GLN 69 N 0.29 0.80 0.00 4.80 4.15 -1.66 -1.75 115.11 121.75 1sus h GLN 69 Ca -0.14 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 1sus h GLN 69 Cb 1.77 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1sus h GLN 69 CO 0.21 0.73 -0.00 0.35 -1.93 0.00 0.00 178.83 178.19 1sus h PHE 70 N 0.77 -0.00 -0.51 3.99 3.57 -1.35 -3.08 116.94 120.34 1sus h PHE 70 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1sus h PHE 70 Cb 0.30 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1sus h PHE 70 CO 0.02 0.59 0.28 -0.07 -2.23 0.00 0.00 178.31 176.90 1sus h LEU 71 N -0.59 0.61 0.72 0.59 3.38 -1.09 -1.99 115.31 116.93 1sus h LEU 71 Ca -0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1sus h LEU 71 Cb 0.59 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sus h LEU 71 CO 0.00 0.49 -0.38 -1.28 0.09 0.00 0.00 178.44 177.36 1sus h SER 72 N 0.70 -0.93 -0.17 -0.43 0.87 -1.39 -1.35 113.55 110.86 1sus h SER 72 Ca 0.18 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1sus h SER 72 Cb 0.01 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.16 1sus h SER 72 CO -0.03 -0.62 -0.31 -0.03 -0.53 0.00 0.00 176.83 175.31 1sus h MET 73 N -1.01 -0.35 -0.36 2.24 1.85 -1.39 -1.55 114.93 114.36 1sus h MET 73 Ca -0.09 0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.10 1sus h MET 73 Cb 0.80 0.08 -0.08 0.00 0.43 0.00 0.00 31.60 32.83 1sus h MET 73 CO 0.13 -0.23 -0.16 1.25 -0.40 0.00 0.00 176.91 177.50 1sus h LEU 74 N -0.36 -0.56 -0.55 3.39 6.46 -1.32 -1.18 115.31 121.20 1sus h LEU 74 Ca 0.11 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1sus h LEU 74 Cb 0.53 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 1sus h LEU 74 CO -0.37 -0.20 0.36 -0.07 -0.62 0.00 0.00 178.44 177.54 1sus h LEU 75 N -0.10 0.63 0.49 2.25 3.38 -0.91 -2.29 115.31 118.77 1sus h LEU 75 Ca 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1sus h LEU 75 Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sus h LEU 75 CO -0.43 0.47 -0.23 0.11 0.09 0.00 0.00 178.44 178.45 1sus h LYS 76 N 0.74 -0.63 -0.97 1.13 1.79 -0.85 -1.76 116.57 116.02 1sus h LYS 76 Ca 0.20 0.04 0.24 0.00 -2.18 0.00 0.00 60.65 58.95 1sus h LYS 76 Cb -0.07 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.65 1sus h LYS 76 CO -0.04 -0.37 0.64 -0.07 -1.08 0.00 0.00 179.45 178.54 1sus h LEU 77 N -0.78 0.38 -1.76 2.94 3.38 -1.15 0.40 115.31 118.72 1sus h LEU 77 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sus h LEU 77 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sus h LEU 77 CO 0.11 0.12 0.00 2.30 0.09 0.00 0.00 178.44 181.06 1sus n ILE 78 N -4.52 0.00 -3.16 1.22 -5.35 -0.87 -4.98 119.36 101.70 1sus n ILE 78 Ca 0.22 -0.46 -0.23 0.00 -0.27 0.00 0.00 62.75 62.01 1sus n ILE 78 Cb 0.81 1.33 0.04 0.00 -1.74 0.00 0.00 39.64 40.08 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 1.15 -6.13 -4.76 7.28 3.02 0.13 -4.94 115.26 111.01 1sus n ASN 79 Ca 0.15 -0.35 -0.41 0.00 -0.03 0.00 0.00 54.58 53.94 1sus n ASN 79 Cb 0.56 -4.92 -0.01 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.21 3.67 0.00 5.41 0.00 -1.04 -4.90 121.76 121.69 1sus s ALA 80 Ca 0.37 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1sus s ALA 80 Cb -0.17 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1sus s ALA 80 CO 0.46 -1.03 0.00 1.63 0.00 0.00 0.00 175.76 176.82 1sus n LYS 81 N 1.38 1.52 -4.03 0.00 5.02 -1.26 -4.44 118.16 116.34 1sus n LYS 81 Ca 0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 1sus n LYS 81 Cb 0.38 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.40 1sus n LYS 81 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1sus s ASN 82 N -2.97 4.50 0.45 4.39 2.47 -1.26 -1.08 114.94 121.45 1sus s ASN 82 Ca 0.00 -1.66 0.05 0.00 0.42 0.00 0.00 52.86 51.67 1sus s ASN 82 Cb 0.00 -1.53 -0.05 0.00 -1.45 0.00 0.00 41.25 38.22 1sus s ASN 82 CO 0.00 -0.27 0.01 0.42 -3.72 0.00 0.00 177.10 173.54 1sus s THR 83 N 1.07 1.62 0.07 -5.21 -4.23 0.01 -0.97 115.64 107.99 1sus s THR 83 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1sus s THR 83 Cb -0.19 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1sus s THR 83 CO -0.07 0.00 -0.05 -0.32 -0.54 0.00 0.00 174.62 173.65 1sus s MET 84 N -3.78 0.68 -0.27 3.99 1.75 -0.79 -1.34 119.30 119.54 1sus s MET 84 Ca 0.23 -1.21 -0.06 0.00 -1.25 0.00 0.00 55.69 53.41 1sus s MET 84 Cb 0.07 0.01 0.14 0.00 2.84 0.00 0.00 34.83 37.89 1sus s MET 84 CO 0.12 -0.06 0.53 -2.00 -0.65 0.00 0.00 175.02 172.96 1sus s GLU 85 N -3.63 0.48 -0.27 4.11 2.12 -0.39 -2.18 118.70 118.93 1sus s GLU 85 Ca 0.07 1.08 -0.10 0.00 0.36 0.00 0.00 54.97 56.38 1sus s GLU 85 Cb 0.05 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.83 1sus s GLU 85 CO -0.07 -0.40 0.14 0.42 -0.54 0.00 0.00 175.26 174.81 1sus s ILE 86 N 2.76 4.93 0.00 -3.70 1.01 -0.16 -1.24 121.20 124.80 1sus s ILE 86 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1sus s ILE 86 Cb -0.13 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1sus s ILE 86 CO -0.17 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1sus n GLY 87 N 5.00 -0.24 0.34 6.18 0.00 -0.36 -1.08 105.19 115.03 1sus n GLY 87 Ca -0.15 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 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 1.22 -2.59 1.61 0.31 -1.25 -4.59 118.33 113.58 1sus n VAL 88 Ca 0.00 -0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 1sus n VAL 88 Cb 0.00 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 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 -4.01 -0.10 0.00 3.52 9.36 -1.26 -1.60 117.16 123.08 1sus n TYR 89 Ca -0.35 0.04 0.00 0.00 3.32 0.00 0.00 57.90 60.92 1sus n TYR 89 Cb 0.70 -0.80 0.00 0.00 -0.63 0.00 0.00 39.34 38.62 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 1.05 0.00 -1.75 2.97 -1.04 -1.07 -4.31 114.28 110.13 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 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.66 0.23 3.41 0.00 -0.62 -4.05 105.19 104.82 1sus n GLY 91 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.48 0.00 1.61 3.20 -1.75 0.29 116.97 119.83 1sus h TYR 92 Ca 0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1sus h TYR 92 Cb 0.85 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1sus h TYR 92 CO 0.00 -0.19 -0.31 0.66 -1.64 0.00 0.00 178.16 176.68 1sus h SER 93 N -0.73 0.00 -0.17 -2.11 4.64 -1.93 -2.07 113.55 111.18 1sus h SER 93 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1sus h SER 93 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1sus h SER 93 CO 0.09 0.31 0.06 0.25 -0.87 0.00 0.00 176.83 176.67 1sus h LEU 94 N 0.00 0.24 -1.11 5.97 6.46 -1.82 -1.49 115.31 123.56 1sus h LEU 94 Ca -0.00 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1sus h LEU 94 Cb 0.85 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.69 1sus h LEU 94 CO 0.04 0.37 0.27 0.25 -0.62 0.00 0.00 178.44 178.75 1sus h LEU 95 N 0.11 0.81 -1.02 2.25 6.46 -0.16 -1.58 115.31 122.17 1sus h LEU 95 Ca 0.06 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1sus h LEU 95 Cb 0.21 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1sus h LEU 95 CO -0.00 0.71 0.07 0.00 -0.62 0.00 0.00 178.44 178.60 1sus h ALA 96 N 1.41 1.20 -0.02 1.25 0.00 -1.00 -1.28 119.26 120.82 1sus h ALA 96 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1sus h ALA 96 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sus h ALA 96 CO -0.02 0.54 -0.25 1.15 0.00 0.00 0.00 179.25 180.67 1sus h THR 97 N 0.74 1.50 -0.96 0.00 2.02 -0.81 -2.73 112.91 112.66 1sus h THR 97 Ca 0.16 -1.81 0.04 0.00 0.77 0.00 0.00 66.41 65.56 1sus h THR 97 Cb 0.35 2.58 -0.06 0.00 -1.74 0.00 0.00 68.15 69.28 1sus h THR 97 CO 0.01 0.50 0.63 0.00 0.37 0.00 0.00 175.52 177.03 1sus h ALA 98 N 0.33 1.39 0.00 6.16 0.00 -1.22 0.07 119.26 125.99 1sus h ALA 98 Ca -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1sus h ALA 98 Cb 0.95 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sus h ALA 98 CO 0.05 0.51 -0.42 -0.07 0.00 0.00 0.00 179.25 179.32 1sus h LEU 99 N 1.20 0.00 0.14 0.00 3.38 -1.29 -3.34 115.31 115.39 1sus h LEU 99 Ca 0.39 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.13 1sus h LEU 99 Cb 0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1sus h LEU 99 CO -0.12 0.42 -1.06 0.00 0.09 0.00 0.00 178.44 177.77 1sus h ALA 100 N 1.58 -0.02 -2.36 1.53 0.00 -0.73 -3.47 119.26 115.80 1sus h ALA 100 Ca -0.00 -0.83 -0.50 0.00 0.00 0.00 0.00 54.91 53.57 1sus h ALA 100 Cb 0.92 0.22 0.10 0.00 0.00 0.00 0.00 17.79 19.04 1sus h ALA 100 CO 0.05 0.54 0.35 0.96 0.00 0.00 0.00 179.25 181.16 1sus s ILE 101 N -2.46 3.69 0.93 0.00 -4.36 -0.22 -4.79 121.20 113.98 1sus s ILE 101 Ca -0.15 0.55 -0.10 0.00 -0.26 0.00 0.00 60.65 60.69 1sus s ILE 101 Cb 0.02 -3.27 0.15 0.00 1.25 0.00 0.00 42.46 40.61 1sus s ILE 101 CO 0.82 -0.72 1.14 -0.81 0.24 0.00 0.00 174.94 175.62 1sus n PRO 102 N -3.25 -0.51 0.04 0.37 -0.04 -1.26 -4.82 135.00 125.52 1sus n PRO 102 Ca 0.07 -0.08 0.20 0.00 -0.04 0.00 0.00 63.50 63.65 1sus n PRO 102 Cb 0.54 -2.37 0.72 0.00 -0.04 0.00 0.00 33.50 32.35 1sus n PRO 102 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1sus h GLU 103 N -1.92 0.00 -0.51 0.54 3.07 -1.95 0.20 114.58 114.01 1sus h GLU 103 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1sus h GLU 103 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1sus h GLU 103 CO 0.41 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.62 1sus n ASP 104 N -4.18 2.73 -4.78 1.42 5.75 -1.26 -4.94 116.55 111.29 1sus n ASP 104 Ca 0.08 -2.10 -0.32 0.00 -0.01 0.00 0.00 54.79 52.44 1sus n ASP 104 Cb 0.58 -0.36 0.06 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.91 1.90 -0.02 6.12 0.00 0.71 -4.99 107.32 110.13 1sus s GLY 105 Ca 0.31 0.36 0.02 0.00 0.00 0.00 0.00 44.72 45.41 1sus s GLY 105 CO 0.19 0.70 -0.07 0.54 0.00 0.00 0.00 173.10 174.46 1sus s LYS 106 N -4.54 0.72 -0.10 2.90 -0.14 -0.24 -4.68 119.74 113.66 1sus s LYS 106 Ca 0.63 -0.22 -0.00 0.00 -1.36 0.00 0.00 55.97 55.02 1sus s LYS 106 Cb -0.18 -0.70 0.02 0.00 -1.68 0.00 0.00 37.83 35.30 1sus s LYS 106 CO 0.49 0.08 -0.07 0.42 -0.76 0.00 0.00 175.35 175.50 1sus s ILE 107 N 0.20 0.98 -0.39 2.17 1.01 -0.41 -0.81 121.20 123.95 1sus s ILE 107 Ca -0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 1sus s ILE 107 Cb -0.07 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1sus s ILE 107 CO 0.00 0.35 0.75 -0.22 0.00 0.00 0.00 174.94 175.82 1sus s LEU 108 N 1.59 4.20 -0.33 2.97 2.96 -0.45 -1.00 118.68 128.61 1sus s LEU 108 Ca 0.02 0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.02 1sus s LEU 108 Cb -0.13 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1sus s LEU 108 CO -0.06 -0.75 0.16 0.00 -1.32 0.00 0.00 176.35 174.37 1sus s ALA 109 N 3.06 3.24 -0.11 5.97 0.00 -0.10 -1.26 121.76 132.55 1sus s ALA 109 Ca 0.29 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1sus s ALA 109 Cb -0.13 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1sus s ALA 109 CO 0.18 -1.08 -0.12 -1.64 0.00 0.00 0.00 175.76 173.10 1sus s MET 110 N 1.57 3.15 0.07 0.00 -1.94 -0.37 -0.23 119.30 121.55 1sus s MET 110 Ca 0.03 -0.66 -0.19 0.00 -1.71 0.00 0.00 55.69 53.16 1sus s MET 110 Cb -0.18 -2.59 0.04 0.00 2.01 0.00 0.00 34.83 34.11 1sus s MET 110 CO 0.06 0.35 0.44 0.34 -0.01 0.00 0.00 175.02 176.20 1sus s ASP 111 N -0.01 -0.32 0.20 3.03 -1.08 -1.02 -1.22 116.67 116.26 1sus s ASP 111 Ca -0.03 -0.05 0.13 0.00 -0.52 0.00 0.00 52.55 52.08 1sus s ASP 111 Cb -0.14 0.46 -0.03 0.00 -1.46 0.00 0.00 42.92 41.75 1sus s ASP 111 CO 0.04 -0.75 1.30 -0.29 0.52 0.00 0.00 175.17 175.99 1sus h ILE 112 N 2.72 1.01 -3.70 4.11 6.09 -1.87 0.12 117.51 125.99 1sus h ILE 112 Ca -0.32 -2.48 -0.63 0.00 -1.37 0.00 0.00 64.86 60.06 1sus h ILE 112 Cb 1.23 2.47 -0.38 0.00 0.47 0.00 0.00 36.82 40.61 1sus h ILE 112 CO 0.44 0.58 -0.79 0.21 -3.07 0.00 0.00 178.15 175.51 1sus s ASN 113 N -6.42 4.02 0.33 2.19 3.84 -1.26 -4.19 114.94 113.45 1sus s ASN 113 Ca 0.02 -1.24 0.26 0.00 0.21 0.00 0.00 52.86 52.11 1sus s ASN 113 Cb 0.08 -1.29 0.83 0.00 -0.55 0.00 0.00 41.25 40.33 1sus s ASN 113 CO 0.77 -0.22 1.76 0.07 -2.79 0.00 0.00 177.10 176.69 1sus h LYS 114 N 7.90 0.00 -0.11 0.43 2.10 -1.96 -3.28 116.57 121.65 1sus h LYS 114 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1sus h LYS 114 Cb 1.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 1sus h LYS 114 CO 0.43 0.00 0.06 0.93 -2.00 0.00 0.00 179.45 178.87 1sus h GLU 115 N 0.00 0.13 -0.76 0.07 5.08 -1.98 0.17 114.58 117.30 1sus h GLU 115 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sus h GLU 115 Cb 0.67 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1sus h GLU 115 CO 0.00 0.08 0.46 -0.91 -1.00 0.00 0.00 179.01 177.64 1sus h ASN 116 N 0.13 0.91 -0.23 1.42 -0.26 -1.98 -2.27 115.58 113.29 1sus h ASN 116 Ca 0.04 -0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1sus h ASN 116 Cb -0.01 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1sus h ASN 116 CO -0.02 0.70 0.10 0.22 -1.06 0.00 0.00 177.43 177.37 1sus h TYR 117 N 1.03 0.35 0.00 1.19 3.20 -1.60 -2.02 116.97 119.12 1sus h TYR 117 Ca 0.27 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1sus h TYR 117 Cb -0.04 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1sus h TYR 117 CO -0.01 0.36 0.00 0.39 -1.64 0.00 0.00 178.16 177.26 1sus n GLU 118 N -4.81 0.00 0.08 1.82 1.02 0.02 0.16 120.64 118.94 1sus n GLU 118 Ca -0.03 0.36 -0.10 0.00 -0.02 0.00 0.00 57.16 57.38 1sus n GLU 118 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 1sus n GLU 118 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1sus h LEU 119 N 0.00 0.27 0.00 -4.62 5.85 -0.80 -3.32 115.31 112.68 1sus h LEU 119 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1sus h LEU 119 Cb 0.14 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1sus h LEU 119 CO 0.00 1.06 -1.58 0.61 -0.34 0.00 0.00 178.44 178.19 1sus n GLY 120 N 1.01 -0.71 0.47 3.75 0.00 -0.18 -4.53 105.19 105.00 1sus n GLY 120 Ca -0.04 -0.40 0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 0.25 -1.03 0.99 5.85 -0.38 0.38 115.31 121.37 1sus h LEU 121 Ca 0.00 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1sus h LEU 121 Cb 0.68 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1sus h LEU 121 CO 0.00 0.01 -0.27 1.55 -0.34 0.00 0.00 178.44 179.39 1sus h PRO 122 N 0.20 0.36 -0.52 5.25 0.13 -1.80 -0.98 132.00 134.64 1sus h PRO 122 Ca 0.63 -0.14 -0.11 0.00 -0.87 0.00 0.00 66.00 65.52 1sus h PRO 122 Cb 2.02 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 33.11 1sus h PRO 122 CO -0.21 0.61 -0.10 0.28 -0.23 0.00 0.00 178.00 178.35 1sus h VAL 123 N 0.32 1.27 -0.36 1.56 2.07 -0.55 -2.37 116.25 118.18 1sus h VAL 123 Ca 0.05 -1.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.19 1sus h VAL 123 Cb 0.65 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1sus h VAL 123 CO 0.05 0.43 -0.35 0.40 0.02 0.00 0.00 177.57 178.12 1sus h ILE 124 N 0.86 1.28 -0.54 4.57 2.04 -1.24 -2.44 117.51 122.04 1sus h ILE 124 Ca 0.14 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 1sus h ILE 124 Cb 0.64 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1sus h ILE 124 CO 0.04 0.50 0.25 0.11 0.00 0.00 0.00 178.15 179.06 1sus h LYS 125 N 0.70 0.78 -0.80 2.37 1.57 -1.02 -2.40 116.57 117.76 1sus h LYS 125 Ca 0.07 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1sus h LYS 125 Cb 0.91 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1sus h LYS 125 CO 0.08 0.64 0.40 -0.22 -0.57 0.00 0.00 179.45 179.79 1sus h LYS 126 N 0.72 1.13 0.00 3.15 3.64 -1.36 -1.04 116.57 122.82 1sus h LYS 126 Ca 0.18 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sus h LYS 126 Cb 0.12 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1sus h LYS 126 CO -0.02 0.86 0.00 0.00 -2.27 0.00 0.00 179.45 178.01 1sus n ALA 127 N -2.42 1.42 -1.02 5.00 0.00 -0.93 -4.88 120.51 117.68 1sus n ALA 127 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1sus n ALA 127 Cb 0.12 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.54 0.47 0.14 0.00 0.00 -0.39 -4.94 105.19 99.93 1sus n GLY 128 Ca 0.01 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.65 1sus n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sus n VAL 129 N -2.95 0.72 0.29 1.61 0.24 -1.21 -4.69 118.33 112.35 1sus n VAL 129 Ca -0.01 -0.86 0.11 0.00 -2.04 0.00 0.00 64.34 61.54 1sus n VAL 129 Cb 0.04 0.66 0.49 0.00 -1.47 0.00 0.00 33.84 33.55 1sus n VAL 129 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1sus n ASP 130 N -0.15 0.55 0.00 -1.34 5.75 -1.25 -2.07 116.55 118.05 1sus n ASP 130 Ca 0.02 0.68 0.10 0.00 -0.01 0.00 0.00 54.79 55.58 1sus n ASP 130 Cb 0.23 -0.78 0.43 0.00 -1.03 0.00 0.00 41.12 39.96 1sus n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sus n HIS 131 N -2.16 0.02 0.39 2.11 1.44 -1.26 -2.29 115.22 113.47 1sus n HIS 131 Ca 0.01 0.01 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 1sus n HIS 131 Cb 0.14 -0.51 0.19 0.00 0.12 0.00 0.00 29.99 29.93 1sus n HIS 131 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1sus h LYS 132 N 0.00 0.00 -5.38 -1.40 1.57 -1.69 -3.46 116.57 106.20 1sus h LYS 132 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1sus h LYS 132 Cb 0.35 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 1sus h LYS 132 CO 0.00 0.00 0.03 0.42 -0.57 0.00 0.00 179.45 179.33 1sus s ILE 133 N -3.20 5.02 -0.78 1.86 1.01 -0.97 -1.29 121.20 122.85 1sus s ILE 133 Ca 0.06 0.81 -0.13 0.00 0.00 0.00 0.00 60.65 61.39 1sus s ILE 133 Cb 0.10 -3.90 0.21 0.00 0.01 0.00 0.00 42.46 38.88 1sus s ILE 133 CO 0.69 -0.02 0.72 -0.62 0.00 0.00 0.00 174.94 175.71 1sus s ASP 134 N 1.60 6.60 0.14 3.58 2.15 -0.17 -4.98 116.67 125.59 1sus s ASP 134 Ca 0.22 -2.60 -0.24 0.00 0.43 0.00 0.00 52.55 50.36 1sus s ASP 134 Cb -0.15 -2.19 -0.08 0.00 -0.30 0.00 0.00 42.92 40.21 1sus s ASP 134 CO 0.10 -0.59 0.73 0.12 -0.17 0.00 0.00 175.17 175.37 1sus s PHE 135 N 0.31 3.88 -0.04 -5.34 2.19 -1.26 -0.93 117.98 116.79 1sus s PHE 135 Ca 0.16 1.56 -0.01 0.00 0.33 0.00 0.00 56.93 58.97 1sus s PHE 135 Cb -0.13 -2.72 0.03 0.00 -1.31 0.00 0.00 43.02 38.89 1sus s PHE 135 CO -0.07 0.52 0.02 1.03 1.83 0.00 0.00 175.22 178.54 1sus s ARG 136 N -1.08 0.23 0.26 10.12 0.52 0.69 -4.94 118.95 124.75 1sus s ARG 136 Ca 0.35 0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.58 1sus s ARG 136 Cb -0.22 -0.56 -0.08 0.00 0.52 0.00 0.00 34.95 34.60 1sus s ARG 136 CO 0.25 -0.22 0.69 -2.00 0.02 0.00 0.00 175.30 174.03 1sus s GLU 137 N 1.51 4.04 0.00 3.54 2.12 -1.26 -2.43 118.70 126.22 1sus s GLU 137 Ca -0.03 0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1sus s GLU 137 Cb -0.13 -2.63 0.00 0.00 0.26 0.00 0.00 34.13 31.63 1sus s GLU 137 CO -0.03 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.38 1sus n GLY 138 N 0.08 2.29 3.57 -1.50 0.00 0.41 -4.92 105.19 105.12 1sus n GLY 138 Ca 0.01 -2.05 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 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 0.20 1.18 0.04 1.61 -0.02 -1.26 -4.23 135.00 132.52 1sus n PRO 139 Ca 0.00 0.42 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 1sus n PRO 139 Cb 0.00 -1.75 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.99 0.34 -0.87 3.55 0.00 -1.95 -3.38 119.26 118.93 1sus h ALA 140 Ca -0.38 -1.25 0.23 0.00 0.00 0.00 0.00 54.91 53.50 1sus h ALA 140 Cb 1.35 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 19.49 1sus h ALA 140 CO 0.61 1.20 0.11 1.25 0.00 0.00 0.00 179.25 182.42 1sus h LEU 141 N 0.08 -0.24 -0.64 0.00 5.85 -1.99 0.38 115.31 118.75 1sus h LEU 141 Ca -0.34 0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 1sus h LEU 141 Cb 2.05 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 43.43 1sus h LEU 141 CO 0.14 -0.22 -0.37 -0.65 -0.34 0.00 0.00 178.44 176.99 1sus h PRO 142 N 0.12 0.65 -0.02 5.25 0.11 -1.99 -0.79 132.00 135.32 1sus h PRO 142 Ca 0.53 -0.32 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 1sus h PRO 142 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1sus h PRO 142 CO -0.74 0.92 -0.23 0.28 -0.21 0.00 0.00 178.00 178.02 1sus h VAL 143 N 0.54 1.18 0.02 3.15 2.07 -0.58 -2.09 116.25 120.53 1sus h VAL 143 Ca 0.05 -0.84 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 1sus h VAL 143 Cb 0.89 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1sus h VAL 143 CO 0.08 0.24 -0.65 -0.07 0.02 0.00 0.00 177.57 177.19 1sus h LEU 144 N 0.04 0.54 -1.27 2.57 -0.00 -0.16 -2.71 115.31 114.31 1sus h LEU 144 Ca 0.01 -0.79 0.02 0.00 -0.00 0.00 0.00 57.88 57.12 1sus h LEU 144 Cb 0.43 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.89 1sus h LEU 144 CO 0.03 1.26 0.50 0.44 -0.00 0.00 0.00 178.44 180.67 1sus h ASP 145 N -0.12 0.84 0.29 -0.43 3.32 -0.91 -1.36 116.42 118.05 1sus h ASP 145 Ca -0.09 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1sus h ASP 145 Cb 1.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1sus h ASP 145 CO 0.13 0.59 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.77 1sus h GLU 146 N 0.98 -0.37 -1.01 3.56 4.39 -1.45 -3.13 114.58 117.54 1sus h GLU 146 Ca 0.29 0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.25 1sus h GLU 146 Cb -0.05 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.57 1sus h GLU 146 CO -0.07 -0.05 0.61 0.52 -1.16 0.00 0.00 179.01 178.87 1sus h MET 147 N -0.75 0.57 0.00 2.33 2.86 -1.14 0.99 114.93 119.79 1sus h MET 147 Ca -0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1sus h MET 147 Cb 0.50 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1sus h MET 147 CO 0.06 0.38 0.00 -0.89 1.06 0.00 0.00 176.91 177.52 1sus n ILE 148 N -4.81 1.02 0.86 -1.22 5.41 -0.54 -2.61 119.36 117.47 1sus n ILE 148 Ca 0.26 0.33 0.12 0.00 1.00 0.00 0.00 62.75 64.46 1sus n ILE 148 Cb 0.73 -1.22 0.53 0.00 -0.71 0.00 0.00 39.64 38.97 1sus n ILE 148 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1sus n LYS 149 N -1.95 0.00 -4.00 0.38 5.02 0.34 -4.56 118.16 113.39 1sus n LYS 149 Ca 0.02 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.07 1sus n LYS 149 Cb 0.16 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.52 1sus n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sus s ASP 150 N -3.00 4.23 0.19 4.39 2.15 -1.07 -4.99 116.67 118.57 1sus s ASP 150 Ca 0.12 -1.38 0.09 0.00 0.43 0.00 0.00 52.55 51.80 1sus s ASP 150 Cb 0.16 -1.39 0.47 0.00 -0.30 0.00 0.00 42.92 41.86 1sus s ASP 150 CO 0.45 -0.23 1.15 -1.84 -0.17 0.00 0.00 175.17 174.54 1sus n GLU 151 N 4.52 0.06 0.26 4.34 0.28 -1.26 0.19 120.64 129.02 1sus n GLU 151 Ca -0.11 0.48 0.15 0.00 -0.16 0.00 0.00 57.16 57.52 1sus n GLU 151 Cb 0.43 -1.89 0.56 0.00 1.43 0.00 0.00 31.44 31.97 1sus n GLU 151 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1sus h LYS 152 N 0.00 0.00 0.00 3.44 1.57 -1.94 -2.76 116.57 116.88 1sus h LYS 152 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1sus h LYS 152 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1sus h LYS 152 CO 0.00 0.07 -0.81 -0.91 -0.57 0.00 0.00 179.45 177.22 1sus h ASN 153 N 0.00 0.00 -3.57 0.86 2.35 -0.53 -3.44 115.58 111.25 1sus h ASN 153 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1sus h ASN 153 Cb 0.63 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.07 1sus h ASN 153 CO 0.01 0.32 0.73 -1.00 -1.65 0.00 0.00 177.43 175.83 1sus s HIS 154 N -3.09 2.98 -1.60 1.19 3.76 -1.04 -2.65 115.29 114.84 1sus s HIS 154 Ca 0.01 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 1sus s HIS 154 Cb 0.08 -3.81 0.00 0.00 1.11 0.00 0.00 32.58 29.96 1sus s HIS 154 CO 0.76 -2.49 0.00 0.41 -0.85 0.00 0.00 174.74 172.57 1sus n GLY 155 N 1.65 0.57 0.55 -2.22 0.00 -0.24 -4.92 105.19 100.58 1sus n GLY 155 Ca 0.04 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.00 2.08 -4.63 1.61 3.41 -0.65 -3.91 113.62 110.54 1sus n SER 156 Ca -0.19 -1.53 -0.34 0.00 -0.26 0.00 0.00 58.87 56.55 1sus n SER 156 Cb 0.61 0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.81 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 -2.39 3.01 0.03 7.33 2.02 -0.86 -4.90 117.35 121.59 1sus s TYR 157 Ca 0.21 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1sus s TYR 157 Cb 0.19 -1.71 -0.26 0.00 -0.40 0.00 0.00 41.96 39.78 1sus s TYR 157 CO 0.52 0.40 0.95 -0.44 -1.57 0.00 0.00 175.55 175.40 1sus h ASP 158 N 4.95 0.25 -4.31 2.29 3.32 -1.40 -1.57 116.42 119.95 1sus h ASP 158 Ca -0.49 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.12 1sus h ASP 158 Cb 1.18 -0.08 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 1sus h ASP 158 CO 0.54 1.28 -0.13 0.12 -1.72 0.00 0.00 179.24 179.34 1sus s PHE 159 N -2.64 -0.47 -0.01 4.55 5.36 -1.25 -2.54 117.98 120.99 1sus s PHE 159 Ca -0.06 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 1sus s PHE 159 Cb 0.08 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 1sus s PHE 159 CO 0.84 -0.34 -0.00 0.42 -1.46 0.00 0.00 175.22 174.69 1sus s ILE 160 N -0.31 0.05 -0.06 3.12 1.01 -0.81 -1.89 121.20 122.30 1sus s ILE 160 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1sus s ILE 160 Cb -0.03 -0.08 0.01 0.00 0.01 0.00 0.00 42.46 42.36 1sus s ILE 160 CO 0.03 0.04 -0.16 0.12 0.00 0.00 0.00 174.94 174.97 1sus s PHE 161 N 0.25 1.71 -0.15 3.97 5.36 -0.93 -0.35 117.98 127.84 1sus s PHE 161 Ca -0.02 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 55.37 1sus s PHE 161 Cb -0.04 -1.19 0.02 0.00 -0.34 0.00 0.00 43.02 41.47 1sus s PHE 161 CO -0.01 -0.26 -0.19 0.08 -1.46 0.00 0.00 175.22 173.39 1sus s VAL 162 N 0.40 1.88 -0.41 3.12 1.01 0.74 -0.98 120.40 126.16 1sus s VAL 162 Ca -0.12 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1sus s VAL 162 Cb -0.15 -1.70 0.33 0.00 0.00 0.00 0.00 36.38 34.86 1sus s VAL 162 CO 0.04 0.51 0.85 -0.67 0.00 0.00 0.00 175.10 175.84 1sus n ASP 163 N 4.43 -0.42 0.00 3.32 2.03 -0.24 -0.82 116.55 124.84 1sus n ASP 163 Ca -0.20 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 51.88 1sus n ASP 163 Cb 0.51 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.44 0.00 -0.19 -1.67 0.00 -1.25 -4.46 120.51 113.37 1sus n ALA 164 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 1sus n ALA 164 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.48 0.00 0.00 5.68 -1.26 -4.88 116.55 115.62 1sus n ASP 165 Ca 0.00 0.98 0.00 0.00 -0.50 0.00 0.00 54.79 55.27 1sus n ASP 165 Cb 0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1sus n ASP 165 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1sus n LYS 166 N -4.17 0.00 0.00 0.11 3.00 -1.26 -4.84 118.16 111.01 1sus n LYS 166 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.42 1sus n LYS 166 Cb 0.12 0.00 0.59 0.00 0.00 0.00 0.00 35.03 35.73 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 0.19 0.00 0.00 3.14 5.75 -1.26 -2.78 116.55 121.59 1sus n ASP 167 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 1sus n ASP 167 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1sus n ASP 167 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sus n ASN 168 N -0.99 0.73 -0.12 -1.12 3.02 -1.26 -4.79 115.26 110.72 1sus n ASN 168 Ca 0.15 -0.88 -0.05 0.00 -0.03 0.00 0.00 54.58 53.77 1sus n ASN 168 Cb 0.07 0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.40 -0.56 3.10 -1.99 -1.92 -0.40 116.97 114.80 1sus h TYR 169 Ca 0.00 0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.84 1sus h TYR 169 Cb 0.02 0.24 -0.06 0.00 2.00 0.00 0.00 36.73 38.93 1sus h TYR 169 CO 0.00 -0.25 0.26 1.25 -0.00 0.00 0.00 178.16 179.42 1sus h LEU 170 N -0.08 0.34 -0.14 3.88 7.12 -1.86 -0.57 115.31 124.00 1sus h LEU 170 Ca 0.20 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.27 1sus h LEU 170 Cb 0.39 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 1sus h LEU 170 CO -0.47 0.22 0.06 0.78 -0.13 0.00 0.00 178.44 178.90 1sus h ASN 171 N 0.49 0.09 -0.62 1.25 2.35 -1.64 -2.56 115.58 114.95 1sus h ASN 171 Ca 0.26 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.10 1sus h ASN 171 Cb 0.23 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.53 1sus h ASN 171 CO -0.21 0.07 0.28 1.88 -1.65 0.00 0.00 177.43 177.80 1sus h TYR 172 N 0.14 0.51 -0.92 1.19 0.05 -0.50 -2.59 116.97 114.85 1sus h TYR 172 Ca 0.05 0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.95 1sus h TYR 172 Cb 0.01 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.54 1sus h TYR 172 CO -0.09 0.19 0.56 1.25 -1.05 0.00 0.00 178.16 179.03 1sus h HIS 173 N 0.51 1.03 -0.57 4.88 2.76 -0.74 0.23 115.15 123.26 1sus h HIS 173 Ca 0.30 0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.66 1sus h HIS 173 Cb 0.29 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 1sus h HIS 173 CO -0.12 0.47 0.41 0.87 -1.30 0.00 0.00 177.93 178.25 1sus h LYS 174 N 0.97 0.03 0.00 5.26 1.79 -1.08 -2.54 116.57 120.99 1sus h LYS 174 Ca 0.42 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1sus h LYS 174 Cb 0.31 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1sus h LYS 174 CO -0.22 0.02 -0.74 0.54 -1.08 0.00 0.00 179.45 177.97 1sus n ARG 175 N -4.38 0.49 -0.30 3.15 5.12 -0.48 -4.58 116.66 115.68 1sus n ARG 175 Ca 0.11 0.38 0.20 0.00 -1.93 0.00 0.00 57.85 56.60 1sus n ARG 175 Cb 0.63 -1.57 0.37 0.00 -1.16 0.00 0.00 32.46 30.73 1sus n ARG 175 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1sus n LEU 176 N -4.54 0.08 0.21 0.55 4.32 0.69 0.05 117.00 118.35 1sus n LEU 176 Ca -0.10 1.48 0.18 0.00 -0.02 0.00 0.00 56.01 57.55 1sus n LEU 176 Cb 0.39 -0.62 0.84 0.00 -1.62 0.00 0.00 43.42 42.41 1sus n LEU 176 CO 0.16 -1.57 1.16 -0.29 -1.22 0.00 0.00 177.39 175.62 1sus h ILE 177 N 0.00 0.35 0.00 -0.08 6.09 -1.70 -0.30 117.51 121.87 1sus h ILE 177 Ca 0.63 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 63.91 1sus h ILE 177 Cb 1.48 0.79 -0.04 0.00 0.47 0.00 0.00 36.82 39.52 1sus h ILE 177 CO -0.76 0.00 -1.50 0.44 -3.07 0.00 0.00 178.15 173.26 1sus h ASP 178 N 0.00 0.00 1.51 2.19 3.32 -0.65 -3.36 116.42 119.43 1sus h ASP 178 Ca 0.09 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1sus h ASP 178 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1sus h ASP 178 CO -0.00 0.73 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.68 1sus h LEU 179 N 0.00 0.00 -9.93 1.55 -0.00 -1.07 -0.63 115.31 105.23 1sus h LEU 179 Ca -0.20 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.19 1sus h LEU 179 Cb 1.74 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.41 1sus h LEU 179 CO 0.06 0.43 0.41 -0.69 -0.00 0.00 0.00 178.44 178.65 1sus s VAL 180 N -3.00 3.76 0.53 1.22 1.01 -0.53 -1.63 120.40 121.75 1sus s VAL 180 Ca 0.04 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 1sus s VAL 180 Cb 0.07 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 1sus s VAL 180 CO 0.74 0.07 1.02 -1.59 0.00 0.00 0.00 175.10 175.34 1sus s LYS 181 N -2.31 3.71 0.06 2.72 -2.85 -0.59 -3.74 119.74 116.75 1sus s LYS 181 Ca 0.55 1.16 -0.31 0.00 -1.00 0.00 0.00 55.97 56.37 1sus s LYS 181 Cb -0.23 -2.09 -0.08 0.00 -2.06 0.00 0.00 37.83 33.37 1sus s LYS 181 CO 0.29 -0.48 1.64 0.08 0.10 0.00 0.00 175.35 176.97 1sus s VAL 182 N -2.37 3.09 0.00 1.79 1.01 -1.26 0.94 120.40 123.60 1sus s VAL 182 Ca 0.63 0.53 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1sus s VAL 182 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1sus s VAL 182 CO 0.29 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1sus n GLY 183 N 3.97 0.48 3.89 4.51 0.00 0.94 -5.00 105.19 113.99 1sus n GLY 183 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1sus n GLY 183 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sus s GLY 184 N -1.73 1.61 -0.04 -0.02 0.00 0.27 -4.73 107.32 102.69 1sus s GLY 184 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 44.72 44.28 1sus s GLY 184 CO 0.00 -0.07 -0.17 0.54 0.00 0.00 0.00 173.10 173.40 1sus s VAL 185 N -3.44 1.41 -0.01 1.40 0.11 -1.05 -1.39 120.40 117.43 1sus s VAL 185 Ca 0.60 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1sus s VAL 185 Cb -0.11 -1.21 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1sus s VAL 185 CO 0.50 0.41 -0.05 -0.63 -3.33 0.00 0.00 175.10 172.00 1sus s ILE 186 N 0.01 3.82 -0.10 7.04 1.01 -0.53 -1.93 121.20 130.52 1sus s ILE 186 Ca -0.03 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1sus s ILE 186 Cb -0.11 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1sus s ILE 186 CO 0.02 0.43 -0.14 -0.83 0.00 0.00 0.00 174.94 174.42 1sus s GLY 187 N -1.33 0.98 -0.21 6.18 0.00 0.52 -0.41 107.32 113.05 1sus s GLY 187 Ca 0.17 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 1sus s GLY 187 CO 0.07 0.23 0.04 -0.19 0.00 0.00 0.00 173.10 173.25 1sus s TYR 188 N 0.94 3.12 0.32 1.90 1.51 -0.80 -0.18 117.35 124.16 1sus s TYR 188 Ca -0.08 -0.24 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 1sus s TYR 188 Cb -0.15 -2.12 -0.05 0.00 -0.11 0.00 0.00 41.96 39.52 1sus s TYR 188 CO -0.00 -0.12 0.61 0.34 -1.11 0.00 0.00 175.55 175.26 1sus s ASP 189 N 0.94 6.45 -1.03 2.29 2.15 -0.00 -1.51 116.67 125.96 1sus s ASP 189 Ca 0.03 0.80 -0.02 0.00 0.43 0.00 0.00 52.55 53.79 1sus s ASP 189 Cb -0.14 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1sus s ASP 189 CO 0.02 -0.26 0.24 0.59 -0.17 0.00 0.00 175.17 175.60 1sus n ASN 190 N -1.08 -4.30 -0.14 -0.34 4.13 0.11 -4.88 115.26 108.75 1sus n ASN 190 Ca -0.01 -0.12 0.05 0.00 1.68 0.00 0.00 54.58 56.18 1sus n ASN 190 Cb 0.54 -3.29 0.24 0.00 -1.54 0.00 0.00 39.78 35.73 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 -4.03 0.08 0.24 3.41 -2.24 0.05 -2.84 114.28 108.95 1sus n THR 191 Ca -0.10 -0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1sus n THR 191 Cb 0.59 -0.03 0.04 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.37 1.67 -3.16 3.22 4.77 -0.86 -4.98 117.00 117.28 1sus n LEU 192 Ca 0.08 -1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 54.77 1sus n LEU 192 Cb 0.09 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1sus n LEU 192 CO 0.06 0.36 -0.15 1.87 -1.33 0.00 0.00 177.39 178.19 1sus n TRP 193 N 0.35 -0.58 0.00 -1.77 -0.00 -1.13 -2.15 117.44 112.16 1sus n TRP 193 Ca 0.04 0.31 0.00 0.00 -0.00 0.00 0.00 57.50 57.85 1sus n TRP 193 Cb 0.19 -1.11 0.00 0.00 -0.00 0.00 0.00 31.31 30.39 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 -0.99 0.00 -3.39 5.87 2.85 -1.26 -4.51 115.26 113.83 1sus n ASN 194 Ca -0.05 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.44 1sus n ASN 194 Cb 0.27 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.26 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 -0.61 -0.01 8.20 0.00 -0.91 -5.00 107.32 108.99 1sus s GLY 195 Ca 0.00 2.46 0.02 0.00 0.00 0.00 0.00 44.72 47.20 1sus s GLY 195 CO 0.00 3.29 0.94 -1.14 0.00 0.00 0.00 173.10 176.18 1sus n SER 196 N 5.32 0.26 -0.73 1.64 3.41 -1.26 -4.66 113.62 117.61 1sus n SER 196 Ca -0.08 -1.95 0.05 0.00 -0.26 0.00 0.00 58.87 56.63 1sus n SER 196 Cb 0.51 -0.19 0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.14 1.09 -2.60 -3.33 0.24 -1.26 -5.07 118.33 107.26 1sus n VAL 197 Ca 0.01 -1.79 -0.41 0.00 -2.04 0.00 0.00 64.34 60.11 1sus n VAL 197 Cb 0.66 0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 33.24 1sus n VAL 197 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sus s VAL 198 N -1.63 4.24 0.11 3.34 0.11 -1.26 -4.97 120.40 120.34 1sus s VAL 198 Ca 0.28 1.81 -0.36 0.00 -2.93 0.00 0.00 61.98 60.78 1sus s VAL 198 Cb 0.29 -4.15 -0.16 0.00 -1.53 0.00 0.00 36.38 30.82 1sus s VAL 198 CO -0.06 0.25 1.33 0.00 -3.33 0.00 0.00 175.10 173.29 1sus n ALA 199 N 2.94 -0.74 -0.12 1.54 0.00 -1.26 -4.88 120.51 118.00 1sus n ALA 199 Ca 0.04 0.50 -0.05 0.00 0.00 0.00 0.00 53.44 53.93 1sus n ALA 199 Cb 0.48 -2.09 0.02 0.00 0.00 0.00 0.00 19.45 17.86 1sus n ALA 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sus h PRO 200 N 4.44 0.03 -0.03 0.00 0.11 -2.03 0.06 132.00 134.58 1sus h PRO 200 Ca -0.47 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1sus h PRO 200 Cb 1.33 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1sus h PRO 200 CO 0.77 0.02 0.03 -1.00 -0.21 0.00 0.00 178.00 177.61 1sus h PRO 201 N 0.03 0.00 -5.29 1.05 0.13 -2.05 -3.38 132.00 122.49 1sus h PRO 201 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 1sus h PRO 201 Cb 0.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 1sus h PRO 201 CO -0.38 0.00 0.03 -3.47 -0.23 0.00 0.00 178.00 173.95 1sus n ASP 202 N -4.05 1.68 -0.21 1.44 2.03 0.00 -4.70 116.55 112.74 1sus n ASP 202 Ca -0.02 -1.65 0.03 0.00 0.52 0.00 0.00 54.79 53.67 1sus n ASP 202 Cb 0.11 -1.66 0.29 0.00 -0.72 0.00 0.00 41.12 39.14 1sus n ASP 202 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sus h ALA 203 N 12.50 1.56 0.00 -1.67 0.00 -1.84 -3.37 119.26 126.45 1sus h ALA 203 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sus h ALA 203 Cb 1.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sus h ALA 203 CO 1.01 0.36 0.00 -2.30 0.00 0.00 0.00 179.25 178.32 1sus n PRO 204 N -4.46 0.00 -4.09 0.00 -0.02 -1.26 -4.65 135.00 120.52 1sus n PRO 204 Ca 0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.26 1sus n PRO 204 Cb 0.13 -0.53 -0.16 0.00 -0.02 0.00 0.00 33.50 32.92 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 0.00 2.16 0.39 2.45 1.43 -1.26 -5.09 118.68 118.77 1sus s LEU 205 Ca 0.00 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.14 1sus s LEU 205 Cb 0.00 -1.42 -0.11 0.00 0.03 0.00 0.00 46.19 44.69 1sus s LEU 205 CO 0.00 -0.03 1.46 0.54 0.23 0.00 0.00 176.35 178.55 1sus n ARG 206 N 4.63 2.53 -0.20 1.70 1.74 -1.26 -4.74 116.66 121.07 1sus n ARG 206 Ca -0.20 0.89 0.30 0.00 -0.77 0.00 0.00 57.85 58.08 1sus n ARG 206 Cb 0.49 -2.63 0.72 0.00 -1.02 0.00 0.00 32.46 30.02 1sus n ARG 206 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1sus h LYS 207 N 2.76 0.00 -0.13 5.56 1.79 -1.98 -1.16 116.57 123.42 1sus h LYS 207 Ca -0.50 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.86 1sus h LYS 207 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1sus h LYS 207 CO 0.63 0.00 -0.33 -0.92 -1.08 0.00 0.00 179.45 177.75 1sus h TYR 208 N 0.00 0.58 -0.01 -1.35 5.03 -2.00 -1.87 116.97 117.35 1sus h TYR 208 Ca 0.45 -0.22 -0.22 0.00 2.58 0.00 0.00 58.73 61.32 1sus h TYR 208 Cb 1.94 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 40.11 1sus h TYR 208 CO 0.00 0.95 -0.91 -0.39 -1.32 0.00 0.00 178.16 176.49 1sus h VAL 209 N 0.04 1.41 -0.23 1.81 -1.51 -1.61 -2.98 116.25 113.19 1sus h VAL 209 Ca -0.00 -2.44 -0.03 0.00 -1.23 0.00 0.00 66.70 62.99 1sus h VAL 209 Cb 0.94 2.39 -0.01 0.00 -2.13 0.00 0.00 31.29 32.48 1sus h VAL 209 CO 0.07 0.73 0.02 -0.09 -1.23 0.00 0.00 177.57 177.07 1sus h ARG 210 N 0.22 0.34 -0.25 5.19 2.43 -1.33 -0.21 114.38 120.76 1sus h ARG 210 Ca -0.07 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1sus h ARG 210 Cb 1.54 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1sus h ARG 210 CO 0.15 0.35 0.03 -0.92 -1.51 0.00 0.00 179.97 178.07 1sus h TYR 211 N 0.33 0.46 0.00 2.20 3.20 -1.18 -3.21 116.97 118.77 1sus h TYR 211 Ca 0.08 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1sus h TYR 211 Cb 0.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1sus h TYR 211 CO 0.00 0.56 -0.63 1.88 -1.64 0.00 0.00 178.16 178.34 1sus h TYR 212 N 0.23 0.00 -0.95 -3.82 0.05 -1.42 -3.35 116.97 107.71 1sus h TYR 212 Ca 0.08 0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.05 1sus h TYR 212 Cb 0.35 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.01 1sus h TYR 212 CO 0.03 0.21 0.61 -0.09 -1.05 0.00 0.00 178.16 177.86 1sus h ARG 213 N 0.00 0.56 0.26 4.88 2.43 -1.03 -1.49 114.38 119.98 1sus h ARG 213 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1sus h ARG 213 Cb 1.18 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1sus h ARG 213 CO 0.02 0.37 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.29 1sus h ASP 214 N 0.57 -0.29 -0.90 -3.80 5.19 -1.70 -0.63 116.42 114.87 1sus h ASP 214 Ca 0.51 -0.02 0.09 0.00 -0.62 0.00 0.00 57.03 56.99 1sus h ASP 214 Cb 1.04 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 40.55 1sus h ASP 214 CO -0.26 -0.17 0.55 -0.26 -3.12 0.00 0.00 179.24 175.98 1sus h PHE 215 N -0.39 1.00 -0.51 4.55 0.04 -1.53 -0.09 116.94 120.01 1sus h PHE 215 Ca -0.04 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1sus h PHE 215 Cb 0.30 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1sus h PHE 215 CO -0.05 0.45 0.15 0.28 -0.60 0.00 0.00 178.31 178.54 1sus h VAL 216 N 0.93 1.23 -0.82 -0.55 2.07 -1.11 0.97 116.25 118.98 1sus h VAL 216 Ca 0.42 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1sus h VAL 216 Cb 0.32 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1sus h VAL 216 CO -0.22 0.29 0.40 -0.07 0.02 0.00 0.00 177.57 177.99 1sus h LEU 217 N 0.70 1.07 -0.38 2.57 3.38 -0.26 -1.24 115.31 121.15 1sus h LEU 217 Ca 0.16 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1sus h LEU 217 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1sus h LEU 217 CO -0.00 0.90 0.08 -0.08 0.09 0.00 0.00 178.44 179.43 1sus h GLU 218 N 1.16 0.62 -0.71 1.13 4.81 -0.58 -2.75 114.58 118.26 1sus h GLU 218 Ca 0.28 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1sus h GLU 218 Cb 0.11 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1sus h GLU 218 CO -0.04 0.66 0.41 1.25 -0.73 0.00 0.00 179.01 180.57 1sus h LEU 219 N 0.48 0.86 -0.57 1.64 7.12 -0.56 -2.38 115.31 121.91 1sus h LEU 219 Ca 0.12 -0.08 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 1sus h LEU 219 Cb 0.33 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 1sus h LEU 219 CO 0.00 0.69 0.18 0.78 -0.13 0.00 0.00 178.44 179.96 1sus h ASN 220 N 0.97 0.82 -0.18 1.25 2.35 -1.07 -0.56 115.58 119.16 1sus h ASN 220 Ca 0.25 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1sus h ASN 220 Cb -0.01 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1sus h ASN 220 CO -0.04 0.81 0.06 0.11 -1.65 0.00 0.00 177.43 176.71 1sus h LYS 221 N 0.79 0.28 -0.32 0.81 1.57 -1.40 0.61 116.57 118.91 1sus h LYS 221 Ca 0.18 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1sus h LYS 221 Cb 0.27 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1sus h LYS 221 CO -0.01 0.39 -0.10 0.00 -0.57 0.00 0.00 179.45 179.16 1sus h ALA 222 N 0.88 0.19 -0.18 3.86 0.00 -1.28 -1.03 119.26 121.71 1sus h ALA 222 Ca 0.06 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1sus h ALA 222 Cb 0.22 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1sus h ALA 222 CO -0.00 -0.48 -0.19 -0.07 0.00 0.00 0.00 179.25 178.50 1sus h LEU 223 N -0.03 0.29 -1.31 0.00 4.07 -0.91 -2.16 115.31 115.26 1sus h LEU 223 Ca 0.16 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1sus h LEU 223 Cb 0.27 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1sus h LEU 223 CO -0.35 0.50 -0.15 0.00 -1.08 0.00 0.00 178.44 177.37 1sus h ALA 224 N 1.53 1.04 -0.01 1.53 0.00 0.36 -3.10 119.26 120.61 1sus h ALA 224 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sus h ALA 224 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sus h ALA 224 CO 0.03 0.18 -0.24 0.28 0.00 0.00 0.00 179.25 179.50 1sus n VAL 225 N -3.33 0.00 -1.82 0.00 0.31 -0.63 -4.99 118.33 107.87 1sus n VAL 225 Ca 0.00 -0.38 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 1sus n VAL 225 Cb 0.37 1.23 -0.03 0.00 -0.91 0.00 0.00 33.84 34.51 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 -1.77 5.89 0.64 4.52 -1.08 -0.85 -4.87 116.67 119.16 1sus s ASP 226 Ca 0.15 1.79 0.41 0.00 -0.52 0.00 0.00 52.55 54.38 1sus s ASP 226 Cb 0.13 -2.52 2.24 0.00 -1.46 0.00 0.00 42.92 41.32 1sus s ASP 226 CO 0.35 -1.63 2.33 -0.65 0.52 0.00 0.00 175.17 176.09 1sus h PRO 227 N 13.01 0.00 -0.00 4.34 0.11 -1.92 -2.82 132.00 144.72 1sus h PRO 227 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 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 0.98 0.00 -0.38 0.54 -0.21 0.00 0.00 178.00 178.94 1sus n ARG 228 N -3.27 0.22 -4.56 1.05 1.74 -1.26 -4.81 116.66 105.77 1sus n ARG 228 Ca -0.03 -0.12 -0.27 0.00 -0.77 0.00 0.00 57.85 56.66 1sus n ARG 228 Cb 0.09 -1.50 -0.08 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 -2.86 0.67 -0.09 0.55 -4.36 -1.07 -0.35 121.20 113.69 1sus s ILE 229 Ca 0.15 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.49 1sus s ILE 229 Cb 0.18 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 1sus s ILE 229 CO 0.63 0.00 -0.14 -0.62 0.24 0.00 0.00 174.94 175.06 1sus n GLU 230 N -0.99 0.22 -1.05 0.37 -0.58 -0.83 -4.85 120.64 112.93 1sus n GLU 230 Ca -0.08 0.10 0.02 0.00 -0.42 0.00 0.00 57.16 56.78 1sus n GLU 230 Cb 0.65 -0.87 -0.01 0.00 -0.57 0.00 0.00 31.44 30.63 1sus n GLU 230 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1sus n ILE 231 N -3.54 -1.72 -3.57 -3.67 -5.35 -1.24 -4.94 119.36 95.32 1sus n ILE 231 Ca -0.18 0.92 -0.00 0.00 -0.27 0.00 0.00 62.75 63.22 1sus n ILE 231 Cb 0.57 -1.52 -0.04 0.00 -1.74 0.00 0.00 39.64 36.91 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 2.70 3.35 -0.14 0.00 -1.94 -1.26 -1.86 119.30 120.14 1sus s MET 233 Ca -0.05 -0.51 -0.06 0.00 -1.71 0.00 0.00 55.69 53.36 1sus s MET 233 Cb -0.10 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 1sus s MET 233 CO -0.19 -0.73 0.07 -0.51 -0.01 0.00 0.00 175.02 173.66 1sus s LEU 234 N 2.21 3.94 -1.25 -0.03 1.43 -0.55 -4.98 118.68 119.44 1sus s LEU 234 Ca 0.14 0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1sus s LEU 234 Cb -0.16 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 1sus s LEU 234 CO 0.13 0.28 2.92 -0.81 0.23 0.00 0.00 176.35 179.11 1sus n PRO 235 N 2.80 3.59 -4.17 1.29 -0.04 -1.26 -1.82 135.00 135.38 1sus n PRO 235 Ca -0.18 -2.32 -0.34 0.00 -0.04 0.00 0.00 63.50 60.61 1sus n PRO 235 Cb 0.53 -2.60 -0.13 0.00 -0.04 0.00 0.00 33.50 31.25 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 0.97 3.54 0.00 0.52 1.01 -1.26 -4.85 120.40 120.33 1sus s VAL 236 Ca 0.65 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1sus s VAL 236 Cb 0.21 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1sus s VAL 236 CO -0.07 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1sus n GLY 237 N 4.26 2.59 2.06 4.51 0.00 -1.26 -1.38 105.19 115.96 1sus n GLY 237 Ca -0.18 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 7.02 4.78 -0.10 1.61 2.03 -1.26 -4.48 116.55 126.16 1sus n ASP 238 Ca 0.00 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 52.04 1sus n ASP 238 Cb 0.00 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 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 -0.25 0.21 2.99 0.27 0.00 -0.48 -2.03 105.19 105.91 1sus n GLY 239 Ca 0.44 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.05 1.16 -0.38 -0.61 1.01 -0.76 0.05 121.20 121.62 1sus s ILE 240 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1sus s ILE 240 Cb 0.00 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1sus s ILE 240 CO 0.00 0.37 0.27 -0.89 0.00 0.00 0.00 174.94 174.69 1sus s THR 241 N 1.04 5.17 -0.22 2.92 2.01 -0.57 -1.49 115.64 124.50 1sus s THR 241 Ca -0.07 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 1sus s THR 241 Cb -0.15 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 1sus s THR 241 CO -0.01 -0.21 0.64 -0.63 -0.69 0.00 0.00 174.62 173.72 1sus s ILE 242 N 1.67 5.00 -0.09 1.82 -1.09 -0.78 -1.90 121.20 125.83 1sus s ILE 242 Ca 0.05 1.18 -0.01 0.00 -2.23 0.00 0.00 60.65 59.64 1sus s ILE 242 Cb -0.19 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 1sus s ILE 242 CO 0.10 0.07 -0.05 0.00 -1.23 0.00 0.00 174.94 173.83 1sus s ARG 244 N -0.60 3.16 0.00 0.00 3.52 -1.26 -1.45 118.95 122.33 1sus s ARG 244 Ca 0.09 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 1sus s ARG 244 Cb -0.12 -2.70 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 1sus s ARG 244 CO 0.02 -0.13 1.25 0.50 -0.81 0.00 0.00 175.30 176.13 1sus s ARG 245 N 1.19 4.36 -0.06 5.12 3.52 -0.48 -1.97 118.95 130.61 1sus s ARG 245 Ca 0.02 1.79 0.14 0.00 -0.13 0.00 0.00 55.73 57.54 1sus s ARG 245 Cb -0.14 -3.48 -0.21 0.00 -1.56 0.00 0.00 34.95 29.56 1sus s ARG 245 CO -0.06 -0.42 0.22 0.44 -0.81 0.00 0.00 175.30 174.67 1sus n ILE 246 N 4.39 0.36 -1.82 4.11 -5.35 0.52 -0.04 119.36 121.53 1sus n ILE 246 Ca 0.11 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1sus n ILE 246 Cb 0.45 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1sus n ILE 246 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08