#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 1.13 -1.12 3.14 3.41 -1.26 -5.03 113.62 113.89 1sus n SER 22 Ca 0.00 -0.60 0.11 0.00 -0.26 0.00 0.00 58.87 58.12 1sus n SER 22 Cb 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.18 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 3.49 -4.96 1.04 4.77 -1.26 -4.98 117.00 115.10 1sus n LEU 23 Ca 0.00 -1.71 -0.26 0.00 -0.03 0.00 0.00 56.01 54.01 1sus n LEU 23 Cb 0.00 -0.32 0.12 0.00 -2.33 0.00 0.00 43.42 40.89 1sus n LEU 23 CO 0.00 0.81 0.66 -0.76 -1.33 0.00 0.00 177.39 176.76 1sus s LEU 24 N -1.23 2.87 0.30 2.23 1.43 -1.26 -4.98 118.68 118.04 1sus s LEU 24 Ca 0.39 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1sus s LEU 24 Cb 0.22 -2.43 0.67 0.00 0.03 0.00 0.00 46.19 44.68 1sus s LEU 24 CO 0.29 -2.01 1.80 1.56 0.23 0.00 0.00 176.35 178.22 1sus h GLN 25 N -0.84 0.82 -3.24 1.70 4.20 -2.00 -3.44 115.11 112.31 1sus h GLN 25 Ca -0.41 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 1sus h GLN 25 Cb 1.27 -0.19 -0.15 0.00 0.30 0.00 0.00 27.48 28.72 1sus h GLN 25 CO 0.46 0.55 -0.09 -1.54 -0.67 0.00 0.00 178.83 177.53 1sus s SER 26 N -5.51 -0.25 0.22 1.46 1.04 -1.26 -5.03 113.70 104.36 1sus s SER 26 Ca -0.11 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 1sus s SER 26 Cb 0.24 0.45 0.21 0.00 0.10 0.00 0.00 66.02 67.02 1sus s SER 26 CO 0.80 -0.77 1.74 0.44 0.98 0.00 0.00 173.24 176.43 1sus h ASP 27 N 2.65 0.96 -0.21 7.02 3.32 -1.96 -2.37 116.42 125.83 1sus h ASP 27 Ca -0.33 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.55 1sus h ASP 27 Cb 1.23 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1sus h ASP 27 CO 0.45 0.96 -0.07 0.00 -1.72 0.00 0.00 179.24 178.87 1sus h ALA 28 N 1.16 0.12 -0.64 3.45 0.00 -1.98 0.35 119.26 121.72 1sus h ALA 28 Ca 0.19 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1sus h ALA 28 Cb 0.40 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1sus h ALA 28 CO 0.01 -0.49 0.35 1.25 0.00 0.00 0.00 179.25 180.37 1sus h LEU 29 N -0.02 0.51 -0.70 0.00 5.85 -1.89 0.42 115.31 119.48 1sus h LEU 29 Ca 0.11 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1sus h LEU 29 Cb 0.18 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1sus h LEU 29 CO -0.23 0.33 0.28 0.22 -0.34 0.00 0.00 178.44 178.70 1sus h TYR 30 N 0.64 1.06 -0.28 1.25 3.20 -0.84 -1.93 116.97 120.07 1sus h TYR 30 Ca 0.29 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1sus h TYR 30 Cb 0.19 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1sus h TYR 30 CO -0.09 0.82 0.16 1.96 -1.64 0.00 0.00 178.16 179.37 1sus h GLN 31 N 0.99 0.39 -0.57 1.82 1.08 0.97 -2.45 115.11 117.33 1sus h GLN 31 Ca 0.23 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.50 1sus h GLN 31 Cb 0.20 -0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.46 1sus h GLN 31 CO -0.02 0.33 0.03 -0.92 -0.95 0.00 0.00 178.83 177.30 1sus h TYR 32 N 0.35 0.02 -0.40 2.96 3.20 0.23 0.69 116.97 124.01 1sus h TYR 32 Ca 0.10 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.07 1sus h TYR 32 Cb 0.05 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 1sus h TYR 32 CO -0.03 -0.12 0.09 0.82 -1.64 0.00 0.00 178.16 177.28 1sus h ILE 33 N 0.15 0.81 -0.12 1.81 2.04 -0.99 0.42 117.51 121.63 1sus h ILE 33 Ca 0.30 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 1sus h ILE 33 Cb 0.47 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1sus h ILE 33 CO -0.47 0.04 -0.08 -0.07 0.00 0.00 0.00 178.15 177.58 1sus h LEU 34 N 0.23 0.28 -0.57 1.44 3.38 -0.72 0.19 115.31 119.54 1sus h LEU 34 Ca 0.19 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1sus h LEU 34 Cb 0.22 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1sus h LEU 34 CO -0.24 0.66 0.23 -0.33 0.09 0.00 0.00 178.44 178.86 1sus h GLU 35 N -0.09 0.42 0.13 1.13 4.39 0.55 -0.77 114.58 120.35 1sus h GLU 35 Ca 0.02 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1sus h GLU 35 Cb 0.57 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1sus h GLU 35 CO 0.02 0.28 -1.88 1.79 -1.16 0.00 0.00 179.01 178.06 1sus h THR 36 N 0.44 0.72 0.00 1.13 1.35 -0.95 -3.41 112.91 112.19 1sus h THR 36 Ca 0.28 -2.37 -0.36 0.00 -0.55 0.00 0.00 66.41 63.40 1sus h THR 36 Cb 0.29 2.56 -0.07 0.00 -1.73 0.00 0.00 68.15 69.20 1sus h THR 36 CO -0.26 0.86 -2.36 -0.24 -0.25 0.00 0.00 175.52 173.27 1sus n SER 37 N -3.57 0.20 0.00 5.36 2.88 0.65 -4.75 113.62 114.39 1sus n SER 37 Ca -0.30 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1sus n SER 37 Cb 1.03 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.42 1sus n SER 37 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1sus n VAL 38 N -2.76 0.00 -0.23 2.46 0.31 -0.37 -4.16 118.33 113.59 1sus n VAL 38 Ca -0.33 0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.13 1sus n VAL 38 Cb 1.14 -0.71 0.22 0.00 -0.91 0.00 0.00 33.84 33.57 1sus n VAL 38 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1sus n PHE 39 N -1.22 0.47 0.28 3.52 3.72 -0.75 0.16 117.46 123.63 1sus n PHE 39 Ca 0.00 0.79 -0.16 0.00 -0.05 0.00 0.00 57.45 58.03 1sus n PHE 39 Cb 0.00 -1.02 -0.08 0.00 -0.94 0.00 0.00 39.48 37.43 1sus n PHE 39 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sus h PRO 40 N 0.00 -0.67 0.00 -1.08 0.11 -1.79 -3.14 132.00 125.43 1sus h PRO 40 Ca 0.42 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1sus h PRO 40 Cb 0.91 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1sus h PRO 40 CO -0.61 -0.41 -0.32 0.54 -0.21 0.00 0.00 178.00 176.99 1sus n ARG 41 N -5.36 0.03 -1.47 1.05 1.74 0.06 -4.94 116.66 107.78 1sus n ARG 41 Ca -0.12 0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.53 1sus n ARG 41 Cb 0.30 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1sus n ARG 41 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sus n GLU 42 N -1.56 0.59 -1.12 5.56 2.13 0.41 -4.92 120.64 121.73 1sus n GLU 42 Ca 0.06 0.21 -0.30 0.00 0.66 0.00 0.00 57.16 57.79 1sus n GLU 42 Cb 0.35 -1.42 0.14 0.00 0.27 0.00 0.00 31.44 30.78 1sus n GLU 42 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1sus s HIS 43 N -1.24 2.23 0.08 4.31 3.76 -1.26 -4.97 115.29 118.20 1sus s HIS 43 Ca 0.62 1.36 -0.31 0.00 -0.15 0.00 0.00 55.06 56.58 1sus s HIS 43 Cb -0.73 -3.15 -0.07 0.00 1.11 0.00 0.00 32.58 29.74 1sus s HIS 43 CO 0.58 -2.43 1.37 -1.83 -0.85 0.00 0.00 174.74 171.58 1sus s GLU 44 N -4.87 4.32 0.00 1.40 1.03 -1.26 -2.83 118.70 116.50 1sus s GLU 44 Ca 0.64 2.01 0.00 0.00 0.03 0.00 0.00 54.97 57.64 1sus s GLU 44 Cb -0.19 -3.36 0.00 0.00 -0.80 0.00 0.00 34.13 29.79 1sus s GLU 44 CO 0.57 -0.45 0.00 0.00 -1.33 0.00 0.00 175.26 174.05 1sus n ALA 45 N 4.36 0.00 0.20 -0.84 0.00 -1.26 -4.78 120.51 118.19 1sus n ALA 45 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.61 1sus n ALA 45 Cb 0.43 -0.05 0.52 0.00 0.00 0.00 0.00 19.45 20.35 1sus n ALA 45 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1sus h MET 46 N 2.13 0.08 0.00 0.00 2.86 -1.90 0.59 114.93 118.68 1sus h MET 46 Ca 0.00 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 1sus h MET 46 Cb 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1sus h MET 46 CO 0.00 0.17 -1.10 -0.22 1.06 0.00 0.00 176.91 176.83 1sus h LYS 47 N 0.08 0.00 0.01 1.72 3.64 -1.87 -1.91 116.57 118.24 1sus h LYS 47 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sus h LYS 47 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1sus h LYS 47 CO 0.01 0.64 -0.00 0.93 -2.27 0.00 0.00 179.45 178.75 1sus h GLU 48 N 0.00 -0.01 -1.01 1.90 5.08 -1.14 0.27 114.58 119.67 1sus h GLU 48 Ca -0.09 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.50 1sus h GLU 48 Cb 1.69 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.82 1sus h GLU 48 CO 0.09 -0.01 0.61 1.25 -1.00 0.00 0.00 179.01 179.95 1sus h LEU 49 N -0.01 0.67 -1.21 1.33 5.85 -0.11 0.55 115.31 122.38 1sus h LEU 49 Ca -0.00 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1sus h LEU 49 Cb 0.01 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1sus h LEU 49 CO 0.00 0.14 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.06 1sus h ARG 50 N 0.60 0.44 0.05 1.25 2.43 -1.22 0.23 114.38 118.16 1sus h ARG 50 Ca 0.63 -0.11 -0.23 0.00 -0.81 0.00 0.00 59.98 59.46 1sus h ARG 50 Cb 1.19 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1sus h ARG 50 CO -0.44 0.53 -1.06 0.93 -1.51 0.00 0.00 179.97 178.43 1sus h GLU 51 N 0.41 0.17 0.40 0.20 5.08 0.36 -3.10 114.58 118.09 1sus h GLU 51 Ca 0.08 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1sus h GLU 51 Cb 0.41 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1sus h GLU 51 CO 0.02 1.07 -0.19 0.28 -1.00 0.00 0.00 179.01 179.19 1sus h VAL 52 N 0.06 0.59 0.00 3.13 2.07 -0.01 -2.60 116.25 119.49 1sus h VAL 52 Ca -0.07 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1sus h VAL 52 Cb 1.77 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1sus h VAL 52 CO 0.16 0.07 0.24 0.74 0.02 0.00 0.00 177.57 178.80 1sus h THR 53 N -0.75 0.00 0.00 2.57 2.02 -0.64 0.94 112.91 117.05 1sus h THR 53 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1sus h THR 53 Cb 0.52 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1sus h THR 53 CO 0.09 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.75 1sus n ALA 54 N -1.90 2.62 0.77 6.16 0.00 -0.99 -3.25 120.51 123.92 1sus n ALA 54 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1sus n ALA 54 Cb 0.29 -1.35 0.14 0.00 0.00 0.00 0.00 19.45 18.53 1sus n ALA 54 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sus n LYS 55 N -1.97 0.15 -1.62 0.00 5.02 0.33 -4.94 118.16 115.13 1sus n LYS 55 Ca 0.05 0.02 -0.48 0.00 -2.02 0.00 0.00 58.31 55.88 1sus n LYS 55 Cb 0.40 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1sus n LYS 55 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1sus n HIS 56 N -1.78 1.78 -0.33 2.13 -0.00 -1.16 -4.88 115.22 110.99 1sus n HIS 56 Ca 0.04 0.52 0.16 0.00 0.46 0.00 0.00 57.72 58.89 1sus n HIS 56 Cb 0.39 -2.39 0.38 0.00 -0.12 0.00 0.00 29.99 28.25 1sus n HIS 56 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1sus h PRO 57 N 4.39 0.62 0.04 1.57 0.13 -1.92 -2.94 132.00 133.89 1sus h PRO 57 Ca -0.45 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 1sus h PRO 57 Cb 1.30 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1sus h PRO 57 CO 0.77 0.41 -1.94 0.91 -0.23 0.00 0.00 178.00 177.92 1sus n TRP 58 N -4.72 0.90 -3.45 1.56 8.01 -1.26 -4.96 117.44 113.52 1sus n TRP 58 Ca 0.23 0.26 -0.19 0.00 -1.31 0.00 0.00 57.50 56.50 1sus n TRP 58 Cb 0.66 -1.14 -0.05 0.00 -2.01 0.00 0.00 31.31 28.76 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 -3.18 0.17 0.00 -0.99 6.94 -1.11 -4.84 115.26 112.24 1sus n ASN 59 Ca -0.26 -0.72 0.00 0.00 -0.02 0.00 0.00 54.58 53.58 1sus n ASN 59 Cb 1.06 -0.90 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1sus n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sus n ILE 60 N -2.90 0.00 -1.36 1.53 3.06 -1.26 -4.95 119.36 113.49 1sus n ILE 60 Ca -0.13 0.58 -0.30 0.00 -2.50 0.00 0.00 62.75 60.41 1sus n ILE 60 Cb 0.36 -1.46 0.11 0.00 0.54 0.00 0.00 39.64 39.19 1sus n ILE 60 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1sus s MET 61 N -1.14 1.81 0.39 9.51 0.23 -1.26 -5.04 119.30 123.80 1sus s MET 61 Ca 0.00 0.82 -0.18 0.00 -1.03 0.00 0.00 55.69 55.30 1sus s MET 61 Cb 0.00 -1.87 -0.10 0.00 -1.53 0.00 0.00 34.83 31.33 1sus s MET 61 CO 0.00 -1.85 0.86 0.95 -2.03 0.00 0.00 175.02 172.94 1sus s THR 62 N -3.02 4.54 -0.33 3.16 -4.23 -1.26 -5.07 115.64 109.43 1sus s THR 62 Ca 0.62 1.20 -0.00 0.00 -1.18 0.00 0.00 61.69 62.33 1sus s THR 62 Cb -0.16 -3.62 0.11 0.00 1.34 0.00 0.00 72.50 70.17 1sus s THR 62 CO 0.56 -0.30 0.12 0.28 -0.54 0.00 0.00 174.62 174.74 1sus s THR 63 N -2.14 0.88 0.07 3.99 -1.32 -1.26 -5.11 115.64 110.75 1sus s THR 63 Ca 0.58 -1.55 -0.29 0.00 -1.21 0.00 0.00 61.69 59.22 1sus s THR 63 Cb -0.10 -1.66 -0.05 0.00 -1.51 0.00 0.00 72.50 69.18 1sus s THR 63 CO 0.17 -0.72 0.92 -0.44 -2.21 0.00 0.00 174.62 172.34 1sus s SER 64 N 1.44 7.40 0.28 8.08 0.01 -1.26 -4.97 113.70 124.67 1sus s SER 64 Ca 0.11 1.67 0.26 0.00 1.31 0.00 0.00 55.95 59.30 1sus s SER 64 Cb -0.18 -2.55 0.89 0.00 0.21 0.00 0.00 66.02 64.38 1sus s SER 64 CO -0.21 -0.10 1.76 0.00 0.41 0.00 0.00 173.24 175.10 1sus h ALA 65 N 5.91 1.00 -0.22 1.44 0.00 -2.01 -3.20 119.26 122.19 1sus h ALA 65 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1sus h ALA 65 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1sus h ALA 65 CO 0.72 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1sus n ASP 66 N -2.39 2.21 0.01 0.00 5.75 -1.26 -4.30 116.55 116.57 1sus n ASP 66 Ca 0.04 -1.79 -0.21 0.00 -0.01 0.00 0.00 54.79 52.82 1sus n ASP 66 Cb 0.35 -0.14 -0.14 0.00 -1.03 0.00 0.00 41.12 40.16 1sus n ASP 66 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1sus h GLU 67 N 2.94 0.24 -0.53 0.11 5.08 -1.95 -3.28 114.58 117.20 1sus h GLU 67 Ca 0.00 -0.41 0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1sus h GLU 67 Cb 0.64 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 1sus h GLU 67 CO 0.00 1.20 0.10 0.78 -1.00 0.00 0.00 179.01 180.09 1sus h GLY 68 N -0.20 0.65 1.58 -3.84 0.00 -1.79 0.29 103.07 99.76 1sus h GLY 68 Ca -0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1sus h GLY 68 CO 0.08 -0.09 0.17 -1.61 0.00 0.00 0.00 176.54 175.09 1sus h GLN 69 N 0.24 0.55 0.06 4.80 4.15 -1.80 -1.09 115.11 122.02 1sus h GLN 69 Ca 0.27 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1sus h GLN 69 Cb 0.38 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1sus h GLN 69 CO -0.36 0.44 -0.03 0.35 -1.93 0.00 0.00 178.83 177.31 1sus h PHE 70 N 0.55 -0.08 -0.86 3.99 3.57 -0.97 -2.46 116.94 120.68 1sus h PHE 70 Ca 0.14 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1sus h PHE 70 Cb 0.09 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1sus h PHE 70 CO 0.00 0.51 0.46 -0.07 -2.23 0.00 0.00 178.31 176.99 1sus h LEU 71 N -0.80 1.08 -0.16 0.59 -0.00 -0.49 0.22 115.31 115.74 1sus h LEU 71 Ca -0.01 -0.10 0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1sus h LEU 71 Cb 0.62 -0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 40.95 1sus h LEU 71 CO 0.01 0.87 -0.20 -1.28 -0.00 0.00 0.00 178.44 177.85 1sus h SER 72 N 1.21 -0.62 0.10 -0.43 0.87 -1.27 0.84 113.55 114.24 1sus h SER 72 Ca 0.30 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 1sus h SER 72 Cb 0.04 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1sus h SER 72 CO -0.05 -0.25 -0.05 -0.03 -0.53 0.00 0.00 176.83 175.93 1sus h MET 73 N -0.23 -0.13 0.16 2.24 1.85 -0.91 -1.92 114.93 115.98 1sus h MET 73 Ca 0.11 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.22 1sus h MET 73 Cb 0.40 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.43 1sus h MET 73 CO -0.30 -0.06 -0.26 1.25 -0.40 0.00 0.00 176.91 177.14 1sus h LEU 74 N -0.17 -0.72 -0.40 3.39 6.46 -0.00 -0.75 115.31 123.10 1sus h LEU 74 Ca -0.01 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1sus h LEU 74 Cb 0.14 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 1sus h LEU 74 CO 0.02 -0.36 0.07 -0.07 -0.62 0.00 0.00 178.44 177.48 1sus h LEU 75 N -0.49 -0.02 -1.04 2.25 3.38 0.74 -1.66 115.31 118.48 1sus h LEU 75 Ca 0.02 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1sus h LEU 75 Cb 0.50 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1sus h LEU 75 CO -0.12 0.02 -0.39 0.11 0.09 0.00 0.00 178.44 178.15 1sus h LYS 76 N 0.19 0.18 -0.11 1.13 1.57 -1.24 -1.53 116.57 116.76 1sus h LYS 76 Ca 0.20 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1sus h LYS 76 Cb 0.25 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1sus h LYS 76 CO -0.27 0.54 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.79 1sus h LEU 77 N 0.15 0.21 -2.06 2.94 3.38 -0.24 -2.66 115.31 117.03 1sus h LEU 77 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sus h LEU 77 Cb 0.76 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1sus h LEU 77 CO 0.06 0.51 0.00 2.30 0.09 0.00 0.00 178.44 181.39 1sus n ILE 78 N -4.13 0.17 -3.69 1.22 -5.35 -0.78 -4.97 119.36 101.83 1sus n ILE 78 Ca -0.01 -0.59 -0.24 0.00 -0.27 0.00 0.00 62.75 61.64 1sus n ILE 78 Cb 0.39 1.32 0.03 0.00 -1.74 0.00 0.00 39.64 39.64 1sus n ILE 78 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sus n ASN 79 N 1.38 -2.64 -4.76 7.28 4.05 -0.65 -4.91 115.26 115.01 1sus n ASN 79 Ca 0.16 -0.89 -0.41 0.00 0.45 0.00 0.00 54.58 53.89 1sus n ASN 79 Cb 0.59 -3.85 -0.03 0.00 1.23 0.00 0.00 39.78 37.73 1sus n ASN 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sus s ALA 80 N -3.63 3.52 0.00 5.20 0.00 -0.79 -4.91 121.76 121.15 1sus s ALA 80 Ca 0.17 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1sus s ALA 80 Cb -0.05 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1sus s ALA 80 CO 0.83 -0.59 0.00 1.63 0.00 0.00 0.00 175.76 177.63 1sus n LYS 81 N 1.61 0.00 -3.55 0.00 5.02 -1.26 -4.40 118.16 115.58 1sus n LYS 81 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 1sus n LYS 81 Cb 0.42 -0.31 -0.09 0.00 -0.02 0.00 0.00 35.03 35.04 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 -4.97 5.71 0.32 4.39 2.47 -1.26 -2.46 114.94 119.15 1sus s ASN 82 Ca 0.00 -1.78 0.00 0.00 0.42 0.00 0.00 52.86 51.50 1sus s ASN 82 Cb 0.00 -2.02 -0.00 0.00 -1.45 0.00 0.00 41.25 37.78 1sus s ASN 82 CO 0.00 -0.66 0.00 0.35 -3.72 0.00 0.00 177.10 173.08 1sus n THR 83 N 4.93 0.00 -3.66 -5.21 -2.24 -1.14 0.09 114.28 107.04 1sus n THR 83 Ca -0.09 -1.54 -0.13 0.00 -2.27 0.00 0.00 64.05 60.03 1sus n THR 83 Cb 0.41 0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.88 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 -3.17 0.70 -0.07 -0.78 1.75 -0.83 -0.92 119.30 115.99 1sus s MET 84 Ca 0.01 0.90 0.05 0.00 -1.25 0.00 0.00 55.69 55.39 1sus s MET 84 Cb 0.00 0.30 -0.00 0.00 2.84 0.00 0.00 34.83 37.97 1sus s MET 84 CO 0.00 -0.10 -0.21 -2.00 -0.65 0.00 0.00 175.02 172.07 1sus s GLU 85 N 0.55 2.38 -0.32 4.11 2.12 -0.88 -2.13 118.70 124.52 1sus s GLU 85 Ca -0.02 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.58 1sus s GLU 85 Cb -0.05 -1.94 0.10 0.00 0.26 0.00 0.00 34.13 32.49 1sus s GLU 85 CO -0.03 0.24 0.04 0.42 -0.54 0.00 0.00 175.26 175.40 1sus s ILE 86 N 0.14 1.97 0.00 -3.70 1.01 -0.85 -1.33 121.20 118.45 1sus s ILE 86 Ca -0.09 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.49 1sus s ILE 86 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1sus s ILE 86 CO 0.05 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 175.05 1sus n GLY 87 N 4.40 0.83 0.00 6.18 0.00 -0.51 -1.95 105.19 114.13 1sus n GLY 87 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1sus n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sus n VAL 88 N 0.00 0.00 -2.15 1.61 0.31 -1.22 -4.49 118.33 112.38 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 -0.10 -0.02 0.00 -0.91 0.00 0.00 33.84 32.81 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 0.00 -2.56 0.00 3.52 4.19 -1.26 -4.03 117.16 117.03 1sus n TYR 89 Ca 0.00 1.40 0.00 0.00 3.31 0.00 0.00 57.90 62.61 1sus n TYR 89 Cb 0.00 -2.93 0.00 0.00 0.49 0.00 0.00 39.34 36.90 1sus n TYR 89 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1sus n THR 90 N 0.84 0.00 -0.56 2.97 -1.04 -1.08 -4.17 114.28 111.24 1sus n THR 90 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1sus n THR 90 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.65 0.39 3.41 0.00 -1.26 -4.10 105.19 104.28 1sus n GLY 91 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1sus n GLY 91 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sus h TYR 92 N 0.00 -1.27 0.00 1.61 3.20 -1.85 0.99 116.97 119.64 1sus h TYR 92 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1sus h TYR 92 Cb 0.00 0.55 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1sus h TYR 92 CO 0.00 -0.47 -0.15 0.66 -1.64 0.00 0.00 178.16 176.56 1sus h SER 93 N -0.57 0.00 -0.30 -2.11 4.64 -1.92 -1.96 113.55 111.34 1sus h SER 93 Ca 0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1sus h SER 93 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1sus h SER 93 CO -0.28 0.15 -0.06 0.25 -0.87 0.00 0.00 176.83 176.02 1sus h LEU 94 N 0.00 0.57 0.28 5.97 7.12 -1.49 -1.68 115.31 126.08 1sus h LEU 94 Ca -0.00 -0.35 -0.00 0.00 0.13 0.00 0.00 57.88 57.65 1sus h LEU 94 Cb 0.30 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1sus h LEU 94 CO 0.02 0.79 -0.23 0.25 -0.13 0.00 0.00 178.44 179.14 1sus h LEU 95 N 0.34 -0.61 -0.73 2.25 6.46 0.16 -0.64 115.31 122.55 1sus h LEU 95 Ca 0.08 0.05 0.16 0.00 -0.12 0.00 0.00 57.88 58.05 1sus h LEU 95 Cb 0.54 0.20 -0.11 0.00 -0.73 0.00 0.00 40.66 40.55 1sus h LEU 95 CO 0.03 -0.35 0.14 0.00 -0.62 0.00 0.00 178.44 177.64 1sus h ALA 96 N 0.13 0.91 -0.35 1.25 0.00 -1.33 0.22 119.26 120.10 1sus h ALA 96 Ca -0.02 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1sus h ALA 96 Cb 0.47 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1sus h ALA 96 CO -0.02 -0.36 0.07 1.15 0.00 0.00 0.00 179.25 180.09 1sus h THR 97 N 0.23 1.23 -0.14 0.00 2.02 -0.84 0.52 112.91 115.92 1sus h THR 97 Ca 0.41 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.83 1sus h THR 97 Cb 0.72 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1sus h THR 97 CO -0.54 0.26 0.00 0.00 0.37 0.00 0.00 175.52 175.62 1sus h ALA 98 N 0.92 0.12 -0.67 6.16 0.00 0.39 0.08 119.26 126.25 1sus h ALA 98 Ca 0.11 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1sus h ALA 98 Cb 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1sus h ALA 98 CO 0.00 -0.45 0.18 -0.07 0.00 0.00 0.00 179.25 178.92 1sus h LEU 99 N 0.05 0.99 -0.17 0.00 3.38 -0.54 -3.27 115.31 115.77 1sus h LEU 99 Ca 0.06 -0.19 -0.22 0.00 0.09 0.00 0.00 57.88 57.62 1sus h LEU 99 Cb 0.07 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.57 1sus h LEU 99 CO -0.11 0.94 -0.77 0.00 0.09 0.00 0.00 178.44 178.60 1sus h ALA 100 N 1.18 0.32 -2.39 1.53 0.00 -0.50 -3.46 119.26 115.94 1sus h ALA 100 Ca 0.22 -0.60 -0.48 0.00 0.00 0.00 0.00 54.91 54.05 1sus h ALA 100 Cb 0.33 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.22 1sus h ALA 100 CO -0.00 0.68 0.31 0.96 0.00 0.00 0.00 179.25 181.20 1sus s ILE 101 N -3.78 2.88 0.53 0.00 -4.36 -0.02 -4.70 121.20 111.76 1sus s ILE 101 Ca -0.10 0.29 -0.21 0.00 -0.26 0.00 0.00 60.65 60.37 1sus s ILE 101 Cb 0.09 -2.95 -0.05 0.00 1.25 0.00 0.00 42.46 40.79 1sus s ILE 101 CO 0.91 -0.38 1.19 -2.16 0.24 0.00 0.00 174.94 174.74 1sus s PRO 102 N -5.09 3.33 0.63 0.37 0.04 -1.26 -4.85 135.00 128.16 1sus s PRO 102 Ca 0.62 1.80 0.30 0.00 0.04 0.00 0.00 61.00 63.76 1sus s PRO 102 Cb -0.16 -2.13 1.66 0.00 0.04 0.00 0.00 34.50 33.91 1sus s PRO 102 CO 0.55 -0.91 1.93 0.93 0.04 0.00 0.00 177.00 179.53 1sus h GLU 103 N 1.39 0.00 0.00 4.56 3.07 -1.94 -2.98 114.58 118.68 1sus h GLU 103 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 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 0.57 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.71 1sus n ASP 104 N -2.82 0.00 -4.00 1.42 -0.08 -1.26 -4.93 116.55 104.87 1sus n ASP 104 Ca -0.02 0.21 -0.37 0.00 -1.51 0.00 0.00 54.79 53.09 1sus n ASP 104 Cb 0.32 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.82 1sus n ASP 104 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sus n GLY 105 N 0.86 -3.93 3.34 0.27 0.00 -1.13 -5.03 105.19 99.59 1sus n GLY 105 Ca 0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 1sus n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sus s LYS 106 N -2.02 1.32 -0.18 1.61 1.02 -1.03 -4.84 119.74 115.62 1sus s LYS 106 Ca 0.38 -1.54 -0.01 0.00 0.02 0.00 0.00 55.97 54.83 1sus s LYS 106 Cb -0.05 -1.19 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 1sus s LYS 106 CO 0.75 0.21 -0.14 0.42 -0.92 0.00 0.00 175.35 175.68 1sus s ILE 107 N -2.71 2.63 -1.29 2.17 1.01 0.58 -2.90 121.20 120.70 1sus s ILE 107 Ca 0.21 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1sus s ILE 107 Cb -0.02 -2.14 0.09 0.00 0.01 0.00 0.00 42.46 40.40 1sus s ILE 107 CO 0.07 0.50 1.71 -0.11 0.00 0.00 0.00 174.94 177.11 1sus n LEU 108 N 4.49 5.08 -2.74 2.97 -0.00 -0.10 -1.89 117.00 124.81 1sus n LEU 108 Ca -0.20 -4.02 -0.05 0.00 -0.00 0.00 0.00 56.01 51.74 1sus n LEU 108 Cb 0.51 -1.72 -0.02 0.00 -0.00 0.00 0.00 43.42 42.19 1sus n LEU 108 CO 0.28 0.30 1.11 0.00 -0.00 0.00 0.00 177.39 179.07 1sus n ALA 109 N 7.81 2.19 0.00 1.96 0.00 -1.22 -2.08 120.51 129.17 1sus n ALA 109 Ca 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1sus n ALA 109 Cb 0.45 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1sus n ALA 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1sus n MET 110 N 3.83 0.00 -3.61 0.00 1.56 -0.44 -3.78 117.12 114.69 1sus n MET 110 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 1sus n MET 110 Cb 0.11 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.48 1sus n MET 110 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1sus n ASP 111 N -0.50 0.00 -0.81 6.12 5.75 -1.22 -3.14 116.55 122.75 1sus n ASP 111 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1sus n ASP 111 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1sus n ASP 111 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sus n ILE 112 N 5.48 0.00 -0.04 2.12 3.06 -1.25 -1.42 119.36 127.31 1sus n ILE 112 Ca 0.00 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.18 1sus n ILE 112 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 1sus n ILE 112 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1sus n ASN 113 N -0.33 2.03 -4.51 9.51 5.03 -1.26 -0.25 115.26 125.49 1sus n ASN 113 Ca 0.00 0.03 -0.27 0.00 0.87 0.00 0.00 54.58 55.21 1sus n ASN 113 Cb 0.00 -0.18 0.13 0.00 -1.02 0.00 0.00 39.78 38.71 1sus n ASN 113 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1sus s LYS 114 N -2.15 1.36 -0.71 3.52 2.47 -1.26 -4.54 119.74 118.43 1sus s LYS 114 Ca -0.11 -0.59 0.03 0.00 -1.56 0.00 0.00 55.97 53.74 1sus s LYS 114 Cb 0.04 -2.08 0.34 0.00 -1.46 0.00 0.00 37.83 34.66 1sus s LYS 114 CO 0.16 -1.82 1.24 0.39 0.16 0.00 0.00 175.35 175.48 1sus n GLU 115 N -3.26 3.89 0.16 4.03 -0.58 -1.26 -4.54 120.64 119.07 1sus n GLU 115 Ca 0.13 -4.76 0.08 0.00 -0.42 0.00 0.00 57.16 52.20 1sus n GLU 115 Cb 0.60 -2.31 0.07 0.00 -0.57 0.00 0.00 31.44 29.23 1sus n GLU 115 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1sus h ASN 116 N 3.32 0.00 -0.32 1.62 2.35 -1.95 -3.09 115.58 117.50 1sus h ASN 116 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1sus h ASN 116 Cb 0.46 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1sus h ASN 116 CO 0.94 0.18 0.21 0.22 -1.65 0.00 0.00 177.43 177.33 1sus h TYR 117 N 0.00 0.40 -0.86 1.19 3.20 -1.84 -0.75 116.97 118.31 1sus h TYR 117 Ca -0.02 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1sus h TYR 117 Cb 1.15 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.22 1sus h TYR 117 CO 0.00 0.26 0.56 1.49 -1.64 0.00 0.00 178.16 178.82 1sus h GLU 118 N 0.43 0.74 0.00 1.82 4.57 -1.89 0.40 114.58 120.65 1sus h GLU 118 Ca 0.12 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1sus h GLU 118 Cb -0.05 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1sus h GLU 118 CO -0.03 0.49 -0.15 1.25 -1.18 0.00 0.00 179.01 179.40 1sus h LEU 119 N 0.76 0.00 0.00 1.64 6.46 -1.18 -3.11 115.31 119.88 1sus h LEU 119 Ca 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1sus h LEU 119 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1sus h LEU 119 CO -0.18 0.15 -1.34 0.61 -0.62 0.00 0.00 178.44 177.06 1sus n GLY 120 N -0.93 -0.49 0.49 3.75 0.00 -0.18 -4.50 105.19 103.32 1sus n GLY 120 Ca -0.02 -0.32 0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -0.29 0.99 5.85 -0.22 0.95 115.31 122.59 1sus h LEU 121 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1sus h LEU 121 Cb 0.52 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1sus h LEU 121 CO 0.00 0.00 0.16 1.55 -0.34 0.00 0.00 178.44 179.81 1sus h PRO 122 N 0.00 0.31 -0.18 5.25 0.13 -1.79 0.23 132.00 135.96 1sus h PRO 122 Ca 0.46 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.57 1sus h PRO 122 Cb 1.89 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.94 1sus h PRO 122 CO -0.00 0.21 0.08 0.28 -0.23 0.00 0.00 178.00 178.33 1sus h VAL 123 N 0.32 1.14 0.00 1.56 2.07 -1.14 0.94 116.25 121.15 1sus h VAL 123 Ca 0.12 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1sus h VAL 123 Cb 0.02 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1sus h VAL 123 CO -0.07 0.13 -0.09 0.40 0.02 0.00 0.00 177.57 177.97 1sus h ILE 124 N 0.15 0.94 0.04 4.57 2.04 -1.32 0.34 117.51 124.26 1sus h ILE 124 Ca 0.06 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1sus h ILE 124 Cb 0.14 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1sus h ILE 124 CO -0.01 0.09 -0.52 0.50 0.00 0.00 0.00 178.15 178.21 1sus h LYS 125 N 0.00 0.28 -0.44 2.37 1.63 0.23 -2.95 116.57 117.70 1sus h LYS 125 Ca -0.00 -0.36 -0.01 0.00 -0.85 0.00 0.00 60.65 59.43 1sus h LYS 125 Cb 0.17 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1sus h LYS 125 CO 0.01 1.09 0.21 -0.22 -3.45 0.00 0.00 179.45 177.08 1sus h LYS 126 N -0.36 0.60 -0.07 1.90 3.64 0.19 0.20 116.57 122.67 1sus h LYS 126 Ca -0.08 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1sus h LYS 126 Cb 1.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1sus h LYS 126 CO 0.10 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 1sus n ALA 127 N -2.47 2.51 -3.81 5.00 0.00 0.11 -4.94 120.51 116.91 1sus n ALA 127 Ca 0.03 -0.16 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1sus n ALA 127 Cb 0.12 -1.06 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 0.69 -1.26 0.00 0.00 0.00 0.69 -4.87 105.19 100.44 1sus n GLY 128 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.90 0.00 0.26 1.61 3.14 -1.12 -4.89 118.33 114.42 1sus n VAL 129 Ca -0.29 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.21 1sus n VAL 129 Cb 0.68 0.55 0.68 0.00 -1.06 0.00 0.00 33.84 34.69 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 -1.87 -3.09 116.42 120.04 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 0.86 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 1sus h ASP 130 CO 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 179.24 178.35 1sus n HIS 131 N -3.64 0.00 -0.03 4.15 1.44 -1.26 -1.57 115.22 114.31 1sus n HIS 131 Ca -0.02 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.71 1sus n HIS 131 Cb 0.26 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.26 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 -0.72 1.02 -2.29 -1.40 5.02 -1.17 -5.01 118.16 113.61 1sus n LYS 132 Ca 0.02 -0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 55.90 1sus n LYS 132 Cb 0.01 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1sus n LYS 132 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sus s ILE 133 N -2.71 3.74 -0.41 -0.18 1.09 -0.61 -0.30 121.20 121.81 1sus s ILE 133 Ca -0.06 0.96 0.09 0.00 -1.10 0.00 0.00 60.65 60.54 1sus s ILE 133 Cb 0.07 -3.40 0.29 0.00 -1.06 0.00 0.00 42.46 38.35 1sus s ILE 133 CO 0.57 -0.35 0.62 -0.67 -0.10 0.00 0.00 174.94 175.02 1sus n ASP 134 N -1.48 0.87 -4.75 3.58 -0.08 -0.79 -4.89 116.55 109.01 1sus n ASP 134 Ca 0.09 -2.90 -0.35 0.00 -1.51 0.00 0.00 54.79 50.13 1sus n ASP 134 Cb 0.52 -0.63 0.04 0.00 2.34 0.00 0.00 41.12 43.40 1sus n ASP 134 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1sus s PHE 135 N -1.78 2.42 -0.07 -0.67 2.19 -1.26 -3.42 117.98 115.39 1sus s PHE 135 Ca 0.38 1.55 -0.13 0.00 0.33 0.00 0.00 56.93 59.05 1sus s PHE 135 Cb 0.23 -3.37 0.03 0.00 -1.31 0.00 0.00 43.02 38.59 1sus s PHE 135 CO -0.09 -2.07 0.32 1.03 1.83 0.00 0.00 175.22 176.24 1sus s ARG 136 N -3.62 0.54 0.13 10.12 0.52 -1.19 -5.00 118.95 120.46 1sus s ARG 136 Ca 0.73 0.11 0.05 0.00 -0.52 0.00 0.00 55.73 56.11 1sus s ARG 136 Cb -0.27 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 1sus s ARG 136 CO 0.36 -0.12 0.09 -2.00 0.02 0.00 0.00 175.30 173.65 1sus s GLU 137 N -0.62 2.79 0.00 3.54 2.12 -1.26 -3.81 118.70 121.46 1sus s GLU 137 Ca -0.07 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.41 1sus s GLU 137 Cb -0.04 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1sus s GLU 137 CO 0.02 0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1sus n GLY 138 N 0.00 -1.20 0.68 -1.50 0.00 0.66 -4.92 105.19 98.91 1sus n GLY 138 Ca -0.09 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.49 0.00 -0.06 1.61 -0.02 -1.26 -4.58 135.00 130.19 1sus n PRO 139 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1sus n PRO 139 Cb 0.00 -0.22 -0.15 0.00 -0.02 0.00 0.00 33.50 33.11 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 0.08 1.53 -0.31 3.55 0.00 -1.26 -4.40 120.51 119.70 1sus n ALA 140 Ca 0.04 -1.04 0.08 0.00 0.00 0.00 0.00 53.44 52.52 1sus n ALA 140 Cb 0.04 -0.53 0.18 0.00 0.00 0.00 0.00 19.45 19.15 1sus n ALA 140 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sus h LEU 141 N 0.00 -0.58 -0.89 0.00 4.07 -1.99 0.73 115.31 116.65 1sus h LEU 141 Ca -0.41 0.25 0.03 0.00 0.08 0.00 0.00 57.88 57.83 1sus h LEU 141 Cb 2.10 0.47 -0.05 0.00 1.08 0.00 0.00 40.66 44.26 1sus h LEU 141 CO 0.05 -0.28 0.58 -0.65 -1.08 0.00 0.00 178.44 177.06 1sus h PRO 142 N 0.03 1.10 -0.59 1.13 0.11 -1.97 -1.91 132.00 129.90 1sus h PRO 142 Ca 0.48 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.46 1sus h PRO 142 Cb 0.86 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1sus h PRO 142 CO -0.85 0.73 0.12 0.28 -0.21 0.00 0.00 178.00 178.06 1sus h VAL 143 N 1.13 1.25 0.01 3.15 2.07 0.13 -2.14 116.25 121.86 1sus h VAL 143 Ca 0.35 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1sus h VAL 143 Cb -0.02 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1sus h VAL 143 CO -0.11 0.35 -0.01 -0.07 0.02 0.00 0.00 177.57 177.75 1sus h LEU 144 N 0.87 -0.01 -0.82 2.57 4.07 -0.61 -1.41 115.31 119.97 1sus h LEU 144 Ca 0.18 -0.09 0.16 0.00 0.08 0.00 0.00 57.88 58.21 1sus h LEU 144 Cb 0.39 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.03 1sus h LEU 144 CO 0.01 0.08 0.37 0.44 -1.08 0.00 0.00 178.44 178.25 1sus h ASP 145 N -0.11 0.38 0.86 -0.43 3.45 -1.22 0.16 116.42 119.51 1sus h ASP 145 Ca -0.00 0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 1sus h ASP 145 Cb 0.10 0.07 0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1sus h ASP 145 CO 0.00 0.13 -0.43 -0.33 -1.57 0.00 0.00 179.24 177.04 1sus h GLU 146 N 0.50 -1.13 -1.00 3.56 4.39 -1.03 -2.90 114.58 116.98 1sus h GLU 146 Ca 0.46 0.08 0.27 0.00 0.34 0.00 0.00 59.36 60.51 1sus h GLU 146 Cb 0.72 0.26 -0.13 0.00 -0.10 0.00 0.00 28.75 29.49 1sus h GLU 146 CO -0.41 -0.75 0.57 0.52 -1.16 0.00 0.00 179.01 177.78 1sus h MET 147 N -1.17 0.45 -0.88 2.33 2.86 -0.41 -0.33 114.93 117.78 1sus h MET 147 Ca -0.12 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1sus h MET 147 Cb 0.90 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 1sus h MET 147 CO 0.18 0.30 0.52 0.82 1.06 0.00 0.00 176.91 179.79 1sus h ILE 148 N 0.47 1.25 -0.81 -1.22 1.08 -0.85 -2.83 117.51 114.59 1sus h ILE 148 Ca 0.68 -0.55 0.19 0.00 -0.39 0.00 0.00 64.86 64.79 1sus h ILE 148 Cb 1.40 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 1sus h ILE 148 CO -0.53 0.26 0.55 0.50 -0.69 0.00 0.00 178.15 178.24 1sus h LYS 149 N 1.21 0.29 -5.65 2.37 1.63 -0.85 -3.35 116.57 112.22 1sus h LYS 149 Ca 0.31 -0.02 -0.63 0.00 -0.85 0.00 0.00 60.65 59.46 1sus h LYS 149 Cb -0.03 -0.07 -0.14 0.00 -0.60 0.00 0.00 32.23 31.39 1sus h LYS 149 CO -0.06 0.19 0.34 0.34 -3.45 0.00 0.00 179.45 176.81 1sus s ASP 150 N -5.79 6.36 -1.16 4.20 -1.08 -1.07 -4.95 116.67 113.18 1sus s ASP 150 Ca -0.07 -0.31 -0.22 0.00 -0.52 0.00 0.00 52.55 51.43 1sus s ASP 150 Cb 0.22 -2.38 -0.08 0.00 -1.46 0.00 0.00 42.92 39.22 1sus s ASP 150 CO 0.77 -0.97 1.91 -1.84 0.52 0.00 0.00 175.17 175.56 1sus n GLU 151 N 6.77 1.80 0.00 4.34 -0.00 -1.26 -1.95 120.64 130.35 1sus n GLU 151 Ca 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 57.16 54.67 1sus n GLU 151 Cb 0.48 -3.61 0.00 0.00 -0.00 0.00 0.00 31.44 28.31 1sus n GLU 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1sus n LYS 152 N 8.11 0.00 0.00 3.44 3.00 -1.26 -4.86 118.16 126.59 1sus n LYS 152 Ca 0.46 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.89 1sus n LYS 152 Cb 0.46 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.57 1sus n LYS 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sus n ASN 153 N 0.00 2.85 -4.65 3.14 5.03 -0.82 -4.79 115.26 116.02 1sus n ASN 153 Ca 0.00 -1.93 -0.43 0.00 0.87 0.00 0.00 54.58 53.09 1sus n ASN 153 Cb 0.02 0.06 -0.02 0.00 -1.02 0.00 0.00 39.78 38.81 1sus n ASN 153 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1sus s HIS 154 N -2.02 3.25 -0.74 3.10 3.76 -1.26 -3.67 115.29 117.71 1sus s HIS 154 Ca 0.26 1.33 -0.01 0.00 -0.15 0.00 0.00 55.06 56.50 1sus s HIS 154 Cb 0.19 -3.45 -0.01 0.00 1.11 0.00 0.00 32.58 30.42 1sus s HIS 154 CO 0.33 -0.61 0.63 0.41 -0.85 0.00 0.00 174.74 174.65 1sus n GLY 155 N 3.59 -0.16 0.00 -2.22 0.00 0.12 -4.94 105.19 101.57 1sus n GLY 155 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1sus n GLY 155 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sus n SER 156 N -2.43 0.49 -4.51 1.61 3.41 0.04 -4.34 113.62 107.88 1sus n SER 156 Ca -0.15 -0.75 -0.34 0.00 -0.26 0.00 0.00 58.87 57.38 1sus n SER 156 Cb 0.60 0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 64.86 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 -0.43 2.99 0.02 7.33 1.51 -0.02 -4.87 117.35 123.88 1sus s TYR 157 Ca 0.00 -0.25 0.10 0.00 -1.01 0.00 0.00 57.07 55.91 1sus s TYR 157 Cb 0.00 -1.89 -0.10 0.00 -0.11 0.00 0.00 41.96 39.87 1sus s TYR 157 CO 0.00 0.04 1.35 -0.44 -1.11 0.00 0.00 175.55 175.39 1sus h ASP 158 N 6.33 0.00 -4.03 2.29 3.32 -0.65 -2.00 116.42 121.68 1sus h ASP 158 Ca -0.35 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1sus h ASP 158 Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 1sus h ASP 158 CO 0.60 0.81 0.21 0.12 -1.72 0.00 0.00 179.24 179.26 1sus s PHE 159 N -2.82 -0.70 -0.04 4.55 5.36 -1.22 -4.10 117.98 119.02 1sus s PHE 159 Ca 0.02 1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.59 1sus s PHE 159 Cb 0.09 0.32 0.03 0.00 -0.34 0.00 0.00 43.02 43.12 1sus s PHE 159 CO 0.79 -0.39 0.02 0.42 -1.46 0.00 0.00 175.22 174.60 1sus s ILE 160 N 0.03 0.16 -0.17 3.12 1.01 -0.94 -1.96 121.20 122.45 1sus s ILE 160 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 1sus s ILE 160 Cb -0.04 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1sus s ILE 160 CO 0.01 0.18 -0.07 0.12 0.00 0.00 0.00 174.94 175.18 1sus s PHE 161 N 1.55 2.92 -0.26 3.97 5.36 -0.91 0.12 117.98 130.74 1sus s PHE 161 Ca -0.02 -0.63 -0.01 0.00 -0.96 0.00 0.00 56.93 55.31 1sus s PHE 161 Cb -0.13 -1.96 0.04 0.00 -0.34 0.00 0.00 43.02 40.63 1sus s PHE 161 CO -0.03 -0.27 -0.06 0.08 -1.46 0.00 0.00 175.22 173.49 1sus s VAL 162 N 0.72 2.76 -0.33 3.12 1.01 0.16 -2.00 120.40 125.85 1sus s VAL 162 Ca -0.03 -1.22 0.15 0.00 0.00 0.00 0.00 61.98 60.87 1sus s VAL 162 Cb -0.15 -2.48 0.46 0.00 0.00 0.00 0.00 36.38 34.21 1sus s VAL 162 CO 0.02 0.09 1.06 -0.67 0.00 0.00 0.00 175.10 175.60 1sus n ASP 163 N 4.62 2.73 0.00 3.32 -0.08 -0.82 -1.39 116.55 124.91 1sus n ASP 163 Ca -0.15 -2.93 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 1sus n ASP 163 Cb 0.45 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.44 1sus n ASP 163 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sus n ALA 164 N -0.37 0.00 -1.00 -1.67 0.00 -1.16 -4.64 120.51 111.66 1sus n ALA 164 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1sus n ALA 164 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1sus n ALA 164 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sus n ASP 165 N 0.00 0.00 0.00 0.00 9.92 -1.26 -5.03 116.55 120.18 1sus n ASP 165 Ca 0.00 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1sus n ASP 165 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1sus n ASP 165 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1sus n LYS 166 N -0.46 0.00 0.00 -1.24 3.00 -1.26 -4.90 118.16 113.30 1sus n LYS 166 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1sus n LYS 166 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 35.03 35.61 1sus n LYS 166 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1sus n ASP 167 N 0.00 0.00 0.00 3.14 5.68 -1.26 -2.79 116.55 121.33 1sus n ASP 167 Ca 0.00 0.43 0.11 0.00 -0.50 0.00 0.00 54.79 54.83 1sus n ASP 167 Cb 0.00 -0.47 0.01 0.00 -1.14 0.00 0.00 41.12 39.52 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 -1.47 0.77 0.15 -1.12 3.02 -1.26 -4.40 115.26 110.94 1sus n ASN 168 Ca 0.07 -0.64 -0.15 0.00 -0.03 0.00 0.00 54.58 53.82 1sus n ASN 168 Cb 0.30 0.76 -0.09 0.00 -0.61 0.00 0.00 39.78 40.14 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 -1.37 -0.60 3.10 -1.99 -1.91 1.32 116.97 115.51 1sus h TYR 169 Ca 0.00 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.83 1sus h TYR 169 Cb 0.54 0.57 -0.04 0.00 2.00 0.00 0.00 36.73 39.80 1sus h TYR 169 CO 0.00 -0.56 0.40 1.25 -0.00 0.00 0.00 178.16 179.25 1sus h LEU 170 N -0.75 0.47 -0.57 3.88 7.12 -1.79 0.45 115.31 124.12 1sus h LEU 170 Ca -0.02 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.84 1sus h LEU 170 Cb 0.72 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 1sus h LEU 170 CO -0.21 0.30 -0.58 0.78 -0.13 0.00 0.00 178.44 178.60 1sus h ASN 171 N 0.53 0.48 -0.06 1.25 2.35 -1.42 -2.87 115.58 115.85 1sus h ASN 171 Ca 0.27 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1sus h ASN 171 Cb 0.36 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1sus h ASN 171 CO -0.08 0.96 -0.26 1.88 -1.65 0.00 0.00 177.43 178.28 1sus h TYR 172 N 0.33 0.37 -0.63 1.19 0.05 0.41 -3.30 116.97 115.38 1sus h TYR 172 Ca -0.00 -0.16 0.13 0.00 0.05 0.00 0.00 58.73 58.75 1sus h TYR 172 Cb 1.11 -0.06 -0.10 0.00 1.01 0.00 0.00 36.73 38.69 1sus h TYR 172 CO 0.04 0.88 0.07 1.25 -1.05 0.00 0.00 178.16 179.34 1sus h HIS 173 N -0.25 0.08 -1.01 4.88 2.76 -0.23 0.71 115.15 122.09 1sus h HIS 173 Ca -0.02 0.04 0.28 0.00 -2.20 0.00 0.00 60.37 58.47 1sus h HIS 173 Cb 0.91 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.87 1sus h HIS 173 CO 0.13 -0.11 0.70 -0.22 -1.30 0.00 0.00 177.93 177.13 1sus h LYS 174 N 0.18 0.15 0.00 5.26 1.63 -1.58 -0.15 116.57 122.06 1sus h LYS 174 Ca 0.34 -0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.91 1sus h LYS 174 Cb 0.54 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 1sus h LYS 174 CO -0.49 0.10 -1.42 0.54 -3.45 0.00 0.00 179.45 174.73 1sus n ARG 175 N -4.37 0.54 -0.25 1.90 5.12 0.66 -4.46 116.66 115.81 1sus n ARG 175 Ca 0.22 0.43 0.30 0.00 -1.93 0.00 0.00 57.85 56.87 1sus n ARG 175 Cb 0.98 -1.62 0.70 0.00 -1.16 0.00 0.00 32.46 31.37 1sus n ARG 175 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1sus h LEU 176 N -1.00 0.06 -1.57 0.55 4.07 0.67 -0.39 115.31 117.71 1sus h LEU 176 Ca -0.32 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1sus h LEU 176 Cb 1.18 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1sus h LEU 176 CO -0.20 0.02 0.00 -0.29 -1.08 0.00 0.00 178.44 176.89 1sus h ILE 177 N 0.06 0.00 0.00 1.22 -0.00 -1.25 -2.31 117.51 115.23 1sus h ILE 177 Ca 0.49 -0.07 -0.20 0.00 -0.00 0.00 0.00 64.86 65.09 1sus h ILE 177 Cb 1.86 0.71 -0.04 0.00 -0.00 0.00 0.00 36.82 39.36 1sus h ILE 177 CO -0.04 0.00 -2.09 0.47 -0.00 0.00 0.00 178.15 176.49 1sus n ASP 178 N -2.44 0.57 0.16 2.19 8.00 -0.16 -4.44 116.55 120.43 1sus n ASP 178 Ca -0.01 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.53 1sus n ASP 178 Cb 0.09 1.32 0.16 0.00 -0.02 0.00 0.00 41.12 42.67 1sus n ASP 178 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1sus h LEU 179 N 0.00 0.00 -9.89 0.64 -0.00 -1.43 0.33 115.31 104.96 1sus h LEU 179 Ca -0.29 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.06 1sus h LEU 179 Cb 1.62 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.25 1sus h LEU 179 CO 0.02 0.46 0.02 0.68 -0.00 0.00 0.00 178.44 179.62 1sus s VAL 180 N -3.22 4.71 0.00 1.22 -7.23 -1.07 -0.78 120.40 114.03 1sus s VAL 180 Ca 0.02 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.20 1sus s VAL 180 Cb 0.09 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.27 1sus s VAL 180 CO 0.72 0.13 0.00 1.17 -0.31 0.00 0.00 175.10 176.81 1sus n LYS 181 N 0.50 1.83 0.00 4.82 3.00 -0.75 -3.82 118.16 123.74 1sus n LYS 181 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1sus n LYS 181 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1sus n LYS 181 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1sus n VAL 182 N -0.01 0.00 0.07 3.15 3.14 -1.26 -3.55 118.33 119.86 1sus n VAL 182 Ca 0.00 0.43 -0.12 0.00 -2.96 0.00 0.00 64.34 61.69 1sus n VAL 182 Cb 0.00 -1.02 -0.06 0.00 -1.06 0.00 0.00 33.84 31.70 1sus n VAL 182 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1sus h GLY 183 N 0.00 -0.11 0.00 7.55 0.00 -1.95 -3.22 103.07 105.34 1sus h GLY 183 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1sus h GLY 183 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1sus n GLY 184 N -1.18 -0.25 1.77 4.60 0.00 -1.23 -1.46 105.19 107.44 1sus n GLY 184 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1sus n GLY 184 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sus n VAL 185 N 0.00 -9.90 -5.09 1.61 0.31 -1.10 -3.39 118.33 100.77 1sus n VAL 185 Ca 0.00 2.26 -0.32 0.00 -0.01 0.00 0.00 64.34 66.26 1sus n VAL 185 Cb 0.00 -4.83 -0.16 0.00 -0.91 0.00 0.00 33.84 27.94 1sus n VAL 185 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1sus s ILE 186 N -0.38 2.35 -0.05 2.52 1.01 0.21 -2.22 121.20 124.64 1sus s ILE 186 Ca 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.78 1sus s ILE 186 Cb 0.00 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1sus s ILE 186 CO 0.00 0.55 -0.20 -0.83 0.00 0.00 0.00 174.94 174.46 1sus s GLY 187 N 0.31 1.41 -0.07 6.18 0.00 0.12 0.40 107.32 115.67 1sus s GLY 187 Ca -0.16 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.57 1sus s GLY 187 CO 0.08 -0.77 -0.19 -0.19 0.00 0.00 0.00 173.10 172.03 1sus s TYR 188 N -0.55 2.05 0.61 1.90 1.51 -0.79 0.41 117.35 122.50 1sus s TYR 188 Ca 0.08 -0.75 -0.04 0.00 -1.01 0.00 0.00 57.07 55.34 1sus s TYR 188 Cb -0.11 -1.40 0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1sus s TYR 188 CO 0.01 -0.31 0.90 0.34 -1.11 0.00 0.00 175.55 175.38 1sus s ASP 189 N 0.33 5.24 -1.31 2.29 2.15 -0.49 -1.68 116.67 123.20 1sus s ASP 189 Ca -0.13 0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1sus s ASP 189 Cb -0.16 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.20 1sus s ASP 189 CO 0.06 -1.26 0.00 0.59 -0.17 0.00 0.00 175.17 174.39 1sus n ASN 190 N -2.62 -4.10 0.00 -0.34 4.13 0.51 -4.84 115.26 108.00 1sus n ASN 190 Ca 0.06 0.22 0.06 0.00 1.68 0.00 0.00 54.58 56.61 1sus n ASN 190 Cb 0.59 -3.57 0.30 0.00 -1.54 0.00 0.00 39.78 35.55 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 -2.95 0.84 0.47 3.41 -2.24 -0.92 -1.12 114.28 111.77 1sus n THR 191 Ca -0.16 0.21 0.05 0.00 -2.27 0.00 0.00 64.05 61.89 1sus n THR 191 Cb 0.57 -1.00 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1sus n THR 191 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sus n LEU 192 N -1.36 1.64 -3.06 3.22 4.77 -1.07 -4.92 117.00 116.22 1sus n LEU 192 Ca 0.05 -0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 55.03 1sus n LEU 192 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1sus n LEU 192 CO 0.10 0.32 -0.09 1.87 -1.33 0.00 0.00 177.39 178.26 1sus n TRP 193 N 0.26 -0.71 -1.22 -1.77 -0.00 -0.28 -1.21 117.44 112.50 1sus n TRP 193 Ca 0.06 0.27 -0.07 0.00 -0.00 0.00 0.00 57.50 57.76 1sus n TRP 193 Cb 0.26 -1.00 -0.03 0.00 -0.00 0.00 0.00 31.31 30.54 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 -0.60 -1.87 0.00 5.87 5.15 -1.26 -2.31 115.26 120.24 1sus n ASN 194 Ca -0.11 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1sus n ASN 194 Cb 0.25 -1.98 0.00 0.00 -0.53 0.00 0.00 39.78 37.52 1sus n ASN 194 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sus n GLY 195 N -0.14 0.98 0.00 8.20 0.00 -0.35 -5.06 105.19 108.82 1sus n GLY 195 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1sus n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sus n SER 196 N 0.00 0.00 -4.57 1.61 3.41 -0.98 -3.40 113.62 109.69 1sus n SER 196 Ca 0.00 0.12 -0.18 0.00 -0.26 0.00 0.00 58.87 58.55 1sus n SER 196 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1sus n SER 196 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1sus s VAL 197 N -0.77 3.15 0.58 -3.33 -7.23 -1.26 -4.91 120.40 106.63 1sus s VAL 197 Ca 0.00 -0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 59.93 1sus s VAL 197 Cb 0.00 -3.91 0.12 0.00 0.56 0.00 0.00 36.38 33.15 1sus s VAL 197 CO 0.00 -0.28 0.79 0.52 -0.31 0.00 0.00 175.10 175.82 1sus n VAL 198 N 8.69 0.00 -1.59 1.32 0.31 -1.22 -4.98 118.33 120.86 1sus n VAL 198 Ca 0.43 -1.12 -0.47 0.00 -0.01 0.00 0.00 64.34 63.16 1sus n VAL 198 Cb 0.46 -1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 32.25 1sus n VAL 198 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sus n ALA 199 N -3.04 -0.43 -0.92 3.52 0.00 -1.26 -4.82 120.51 113.56 1sus n ALA 199 Ca -0.13 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1sus n ALA 199 Cb 0.45 -2.05 0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 1.54 0.00 -0.53 0.00 -0.02 -1.26 -3.91 135.00 130.82 1sus n PRO 200 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1sus n PRO 200 Cb 0.27 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 2.14 0.00 0.00 0.52 -0.02 -1.26 -3.27 135.00 133.11 1sus n PRO 201 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1sus n PRO 201 Cb 0.49 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 1sus n PRO 201 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sus n ASP 202 N 2.36 0.00 -4.77 2.55 5.68 -1.26 -5.14 116.55 115.97 1sus n ASP 202 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.92 1sus n ASP 202 Cb 0.26 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 1sus n ASP 202 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sus s ALA 203 N 0.00 3.62 -0.91 2.12 0.00 -1.20 -4.98 121.76 120.40 1sus s ALA 203 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 1sus s ALA 203 Cb 0.00 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.61 1sus s ALA 203 CO 0.00 0.23 2.08 -2.30 0.00 0.00 0.00 175.76 175.76 1sus n PRO 204 N 2.94 1.97 -4.27 0.00 -0.02 -1.26 -4.89 135.00 129.47 1sus n PRO 204 Ca -0.12 -1.63 -0.34 0.00 -2.02 0.00 0.00 63.50 59.39 1sus n PRO 204 Cb 0.52 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 1sus n PRO 204 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1sus s LEU 205 N 0.48 3.49 0.58 2.45 2.34 -1.26 -5.08 118.68 121.69 1sus s LEU 205 Ca 0.46 -0.01 -0.18 0.00 0.06 0.00 0.00 54.13 54.46 1sus s LEU 205 Cb 0.12 -1.85 -0.11 0.00 -0.56 0.00 0.00 46.19 43.79 1sus s LEU 205 CO 0.01 0.21 0.24 0.54 -1.06 0.00 0.00 176.35 176.29 1sus n ARG 206 N 3.25 0.28 -0.13 1.48 3.00 -1.26 -4.72 116.66 118.55 1sus n ARG 206 Ca -0.17 0.11 -0.04 0.00 -0.01 0.00 0.00 57.85 57.73 1sus n ARG 206 Cb 0.53 -1.43 0.15 0.00 0.00 0.00 0.00 32.46 31.71 1sus n ARG 206 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1sus h LYS 207 N 0.03 0.84 -0.54 5.56 3.64 -1.98 -2.01 116.57 122.11 1sus h LYS 207 Ca -0.44 -0.21 0.09 0.00 -1.27 0.00 0.00 60.65 58.82 1sus h LYS 207 Cb 1.41 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1sus h LYS 207 CO 0.44 0.82 0.12 -0.92 -2.27 0.00 0.00 179.45 177.64 1sus h TYR 208 N 0.79 0.20 -0.14 1.91 3.20 -2.00 0.10 116.97 121.03 1sus h TYR 208 Ca 0.16 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 1sus h TYR 208 Cb 0.42 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.68 1sus h TYR 208 CO 0.02 -0.00 -0.51 -0.39 -1.64 0.00 0.00 178.16 175.64 1sus h VAL 209 N 0.26 1.34 -0.46 1.81 -1.51 -1.86 -3.11 116.25 112.72 1sus h VAL 209 Ca 0.28 -1.79 0.03 0.00 -1.23 0.00 0.00 66.70 63.99 1sus h VAL 209 Cb 0.38 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1sus h VAL 209 CO -0.35 0.55 0.31 -0.09 -1.23 0.00 0.00 177.57 176.76 1sus h ARG 210 N 0.25 0.51 -0.31 5.19 2.43 -0.91 0.77 114.38 122.30 1sus h ARG 210 Ca -0.02 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1sus h ARG 210 Cb 1.14 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1sus h ARG 210 CO 0.11 0.34 0.09 -0.92 -1.51 0.00 0.00 179.97 178.08 1sus h TYR 211 N 0.52 0.51 0.00 2.20 3.20 -0.76 -3.15 116.97 119.49 1sus h TYR 211 Ca 0.19 -0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 1sus h TYR 211 Cb 0.09 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1sus h TYR 211 CO -0.00 0.52 -0.77 1.88 -1.64 0.00 0.00 178.16 178.15 1sus h TYR 212 N 0.34 0.00 -0.58 -3.82 0.05 -1.39 -3.28 116.97 108.30 1sus h TYR 212 Ca 0.10 0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.01 1sus h TYR 212 Cb 0.26 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 1sus h TYR 212 CO 0.01 0.64 0.40 -0.09 -1.05 0.00 0.00 178.16 178.07 1sus h ARG 213 N 0.00 0.18 -0.68 4.88 2.43 -0.82 -0.31 114.38 120.06 1sus h ARG 213 Ca -0.03 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1sus h ARG 213 Cb 1.52 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.00 1sus h ARG 213 CO 0.08 0.12 0.24 -0.44 -1.51 0.00 0.00 179.97 178.45 1sus h ASP 214 N 0.19 0.97 0.73 -3.80 5.19 -1.61 -0.18 116.42 117.90 1sus h ASP 214 Ca 0.28 -0.19 -0.15 0.00 -0.62 0.00 0.00 57.03 56.34 1sus h ASP 214 Cb 0.84 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1sus h ASP 214 CO -0.05 0.91 -0.71 -0.26 -3.12 0.00 0.00 179.24 176.01 1sus h PHE 215 N 0.98 0.00 0.40 4.55 0.04 -1.26 -2.83 116.94 118.82 1sus h PHE 215 Ca 0.22 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 1sus h PHE 215 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1sus h PHE 215 CO 0.02 0.71 -0.19 0.28 -0.60 0.00 0.00 178.31 178.53 1sus h VAL 216 N 0.00 0.00 -0.97 -0.55 2.07 -1.09 0.10 116.25 115.81 1sus h VAL 216 Ca -0.01 -0.42 0.31 0.00 0.82 0.00 0.00 66.70 67.41 1sus h VAL 216 Cb 1.27 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.87 1sus h VAL 216 CO 0.09 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.91 1sus h LEU 217 N -0.96 -0.01 -0.06 2.57 3.38 -1.11 0.69 115.31 119.82 1sus h LEU 217 Ca -0.06 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1sus h LEU 217 Cb 0.41 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1sus h LEU 217 CO 0.09 -0.31 -0.08 -0.08 0.09 0.00 0.00 178.44 178.15 1sus h GLU 218 N 0.09 0.15 -0.84 1.13 4.81 -1.51 -2.11 114.58 116.30 1sus h GLU 218 Ca 0.68 -0.09 0.09 0.00 -0.13 0.00 0.00 59.36 59.91 1sus h GLU 218 Cb 1.57 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.89 1sus h GLU 218 CO -0.78 0.64 0.49 1.25 -0.73 0.00 0.00 179.01 179.88 1sus h LEU 219 N -0.32 0.72 0.05 1.64 7.12 0.26 0.03 115.31 124.80 1sus h LEU 219 Ca 0.01 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1sus h LEU 219 Cb 0.62 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1sus h LEU 219 CO 0.02 0.42 -0.02 0.78 -0.13 0.00 0.00 178.44 179.51 1sus h ASN 220 N 0.84 -0.05 -0.75 1.25 -0.26 0.12 -1.04 115.58 115.68 1sus h ASN 220 Ca 0.39 -0.11 0.03 0.00 -0.56 0.00 0.00 56.30 56.05 1sus h ASN 220 Cb 0.32 0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.55 1sus h ASN 220 CO -0.23 0.07 0.48 0.11 -1.06 0.00 0.00 177.43 176.80 1sus h LYS 221 N -0.18 0.92 0.53 0.81 1.79 -0.64 0.50 116.57 120.30 1sus h LYS 221 Ca -0.01 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1sus h LYS 221 Cb 0.16 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1sus h LYS 221 CO 0.01 0.61 -0.26 0.00 -1.08 0.00 0.00 179.45 178.73 1sus h ALA 222 N 1.31 -0.72 -0.98 3.86 0.00 -0.92 -2.84 119.26 118.97 1sus h ALA 222 Ca 0.30 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1sus h ALA 222 Cb -0.01 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1sus h ALA 222 CO -0.10 -0.83 0.60 1.25 0.00 0.00 0.00 179.25 180.17 1sus h LEU 223 N -0.87 0.84 -2.14 0.00 5.85 -0.97 0.19 115.31 118.20 1sus h LEU 223 Ca -0.07 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1sus h LEU 223 Cb 0.61 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1sus h LEU 223 CO 0.12 0.40 -0.07 0.00 -0.34 0.00 0.00 178.44 178.55 1sus h ALA 224 N 1.57 1.37 0.00 1.25 0.00 -0.78 -3.00 119.26 119.67 1sus h ALA 224 Ca 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1sus h ALA 224 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sus h ALA 224 CO -0.31 0.09 -1.50 0.28 0.00 0.00 0.00 179.25 177.81 1sus n VAL 225 N -3.71 0.00 -1.68 0.00 0.31 0.49 -4.95 118.33 108.80 1sus n VAL 225 Ca -0.02 -0.30 -0.47 0.00 -0.01 0.00 0.00 64.34 63.53 1sus n VAL 225 Cb 0.18 0.39 -0.04 0.00 -0.91 0.00 0.00 33.84 33.45 1sus n VAL 225 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sus n ASP 226 N -1.89 3.45 0.00 4.52 -0.08 -0.18 -4.83 116.55 117.54 1sus n ASP 226 Ca -0.01 0.99 0.15 0.00 -1.51 0.00 0.00 54.79 54.42 1sus n ASP 226 Cb 0.41 -1.40 0.90 0.00 2.34 0.00 0.00 41.12 43.36 1sus n ASP 226 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1sus n PRO 227 N 5.91 0.89 0.00 -0.67 -0.02 -1.26 -3.52 135.00 136.33 1sus n PRO 227 Ca 0.21 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1sus n PRO 227 Cb 0.31 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.04 0.96 -4.45 -0.52 1.74 -1.26 -4.68 116.66 107.41 1sus n ARG 228 Ca 0.22 -0.73 -0.23 0.00 -0.77 0.00 0.00 57.85 56.34 1sus n ARG 228 Cb 0.13 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.54 0.60 -0.04 0.55 -4.36 -1.23 0.55 121.20 114.74 1sus s ILE 229 Ca 0.20 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 1sus s ILE 229 Cb 0.18 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1sus s ILE 229 CO 0.58 0.00 -0.01 -0.62 0.24 0.00 0.00 174.94 175.13 1sus n GLU 230 N -0.78 2.31 -1.15 0.37 1.02 -0.56 -4.84 120.64 117.01 1sus n GLU 230 Ca -0.03 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 1sus n GLU 230 Cb 0.65 -1.09 -0.06 0.00 -0.02 0.00 0.00 31.44 30.92 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 -2.30 -0.72 -3.22 -3.67 -5.35 -1.22 -4.91 119.36 97.97 1sus n ILE 231 Ca -0.07 0.66 0.04 0.00 -0.27 0.00 0.00 62.75 63.11 1sus n ILE 231 Cb 0.61 -1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 37.49 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 2.80 3.14 -0.07 0.00 -1.94 -1.26 -1.46 119.30 120.50 1sus s MET 233 Ca 0.03 -0.70 -0.15 0.00 -1.71 0.00 0.00 55.69 53.16 1sus s MET 233 Cb -0.10 -4.24 -0.05 0.00 2.01 0.00 0.00 34.83 32.45 1sus s MET 233 CO -0.15 -1.91 0.39 -0.51 -0.01 0.00 0.00 175.02 172.83 1sus s LEU 234 N 4.48 4.36 -1.48 -0.03 1.43 -0.36 -4.94 118.68 122.13 1sus s LEU 234 Ca 0.26 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 1sus s LEU 234 Cb -0.14 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1sus s LEU 234 CO 0.11 0.19 2.39 -0.81 0.23 0.00 0.00 176.35 178.45 1sus n PRO 235 N 2.74 3.17 -4.08 1.29 -0.04 -1.26 -1.96 135.00 134.86 1sus n PRO 235 Ca -0.12 -2.60 -0.35 0.00 -0.04 0.00 0.00 63.50 60.39 1sus n PRO 235 Cb 0.52 -3.12 -0.14 0.00 -0.04 0.00 0.00 33.50 30.72 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 2.60 3.49 0.00 0.52 1.01 -1.26 -4.89 120.40 121.87 1sus s VAL 236 Ca 0.52 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1sus s VAL 236 Cb 0.15 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1sus s VAL 236 CO -0.08 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1sus n GLY 237 N 4.46 3.64 1.43 4.51 0.00 -1.26 -1.20 105.19 116.76 1sus n GLY 237 Ca -0.18 0.02 0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 9.22 4.19 0.00 1.61 2.03 -1.26 -4.36 116.55 127.99 1sus n ASP 238 Ca 0.00 -2.19 0.00 0.00 0.52 0.00 0.00 54.79 53.12 1sus n ASP 238 Cb 0.00 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 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 1.42 2.04 2.85 0.27 0.00 -0.34 -2.60 105.19 108.82 1sus n GLY 239 Ca 0.24 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 0.53 -0.29 -0.61 1.01 -0.83 -0.36 121.20 120.64 1sus s ILE 240 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 1sus s ILE 240 Cb 0.00 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1sus s ILE 240 CO 0.00 0.25 0.18 -0.89 0.00 0.00 0.00 174.94 174.49 1sus s THR 241 N 1.39 5.10 -0.19 2.92 2.01 -0.67 -1.22 115.64 124.97 1sus s THR 241 Ca -0.04 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.78 1sus s THR 241 Cb -0.13 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1sus s THR 241 CO -0.03 0.18 0.38 -0.63 -0.69 0.00 0.00 174.62 173.83 1sus s ILE 242 N 1.72 5.22 -0.16 1.82 1.09 -0.54 -1.88 121.20 128.47 1sus s ILE 242 Ca 0.06 0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 60.28 1sus s ILE 242 Cb -0.16 -3.71 -0.01 0.00 -1.06 0.00 0.00 42.46 37.52 1sus s ILE 242 CO 0.09 0.28 -0.12 0.00 -0.10 0.00 0.00 174.94 175.10 1sus s ARG 244 N 0.77 3.31 -0.12 0.00 3.52 -1.26 0.64 118.95 125.81 1sus s ARG 244 Ca -0.05 -0.47 -0.25 0.00 -0.13 0.00 0.00 55.73 54.84 1sus s ARG 244 Cb -0.15 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1sus s ARG 244 CO 0.01 0.47 0.78 0.50 -0.81 0.00 0.00 175.30 176.25 1sus s ARG 245 N -0.26 4.36 -0.01 5.12 3.52 -0.53 -1.49 118.95 129.65 1sus s ARG 245 Ca 0.05 0.96 0.05 0.00 -0.13 0.00 0.00 55.73 56.67 1sus s ARG 245 Cb -0.12 -3.52 -0.08 0.00 -1.56 0.00 0.00 34.95 29.66 1sus s ARG 245 CO 0.02 -0.15 0.11 0.44 -0.81 0.00 0.00 175.30 174.90 1sus n ILE 246 N 4.31 0.05 -0.39 4.11 -5.35 0.19 -4.01 119.36 118.27 1sus n ILE 246 Ca 0.02 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1sus n ILE 246 Cb 0.50 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1sus n ILE 246 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08