#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shc s SER 14 N 0.00 5.59 0.00 1.61 0.01 -1.26 -4.82 113.70 114.83 1shc s SER 14 Ca 0.00 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1shc s SER 14 Cb 0.00 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1shc s SER 14 CO 0.00 0.33 0.00 0.00 0.41 0.00 0.00 173.24 173.98 1shc n HIS 15 N 2.49 0.00 0.00 2.43 -0.00 -1.26 -4.93 115.22 113.95 1shc n HIS 15 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 1shc n HIS 15 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 1shc n HIS 15 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1shc n MET 16 N 0.00 0.00 -0.94 -1.40 2.00 -1.26 -4.28 117.12 111.24 1shc n MET 16 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 57.70 57.90 1shc n MET 16 Cb 0.00 -1.03 0.15 0.00 0.00 0.00 0.00 33.22 32.34 1shc n MET 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1shc n GLY 17 N -0.66 4.38 7.00 3.03 0.00 -1.25 -5.10 105.19 112.59 1shc n GLY 17 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1shc n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shc n GLN 18 N -0.77 0.00 -1.27 1.61 0.00 -1.26 -4.77 117.38 110.93 1shc n GLN 18 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 57.00 57.36 1shc n GLN 18 Cb 0.80 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 31.00 1shc n GLN 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1shc n LEU 19 N 0.00 0.00 -0.01 2.61 4.32 -1.26 -4.10 117.00 118.57 1shc n LEU 19 Ca 0.00 1.36 0.01 0.00 -0.02 0.00 0.00 56.01 57.37 1shc n LEU 19 Cb 0.00 -3.87 -0.04 0.00 -1.62 0.00 0.00 43.42 37.88 1shc n LEU 19 CO 0.00 -2.56 -0.59 0.61 -1.22 0.00 0.00 177.39 173.63 1shc n GLY 20 N -3.75 -0.25 1.93 -0.72 0.00 -1.26 -4.47 105.19 96.66 1shc n GLY 20 Ca 0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1shc n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shc n GLY 21 N 2.32 3.66 0.94 -0.02 0.00 -1.26 -4.19 105.19 106.64 1shc n GLY 21 Ca -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 1shc n GLY 21 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1shc n GLU 22 N -0.41 0.00 -0.74 1.61 0.00 -1.26 -4.94 120.64 114.90 1shc n GLU 22 Ca 0.42 -0.88 -0.02 0.00 0.00 0.00 0.00 57.16 56.67 1shc n GLU 22 Cb 1.35 0.49 0.21 0.00 0.00 0.00 0.00 31.44 33.49 1shc n GLU 22 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1shc n GLU 23 N 0.00 1.96 -3.95 3.44 4.07 -1.26 -3.90 120.64 121.01 1shc n GLU 23 Ca -0.25 -3.13 -0.25 0.00 -0.06 0.00 0.00 57.16 53.47 1shc n GLU 23 Cb 0.65 -1.81 -0.08 0.00 -0.06 0.00 0.00 31.44 30.14 1shc n GLU 23 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1shc n TRP 24 N -1.05 -1.00 -2.72 4.31 5.03 -1.26 -4.80 117.44 115.94 1shc n TRP 24 Ca 0.31 0.47 -0.08 0.00 3.03 0.00 0.00 57.50 61.23 1shc n TRP 24 Cb 1.01 -2.22 0.09 0.00 -1.03 0.00 0.00 31.31 29.16 1shc n TRP 24 CO 0.00 0.00 0.00 -2.37 -0.03 0.00 0.00 177.69 175.29 1shc n THR 25 N -3.86 0.00 -3.71 -0.99 5.66 -1.26 -5.15 114.28 104.97 1shc n THR 25 Ca -0.26 -1.40 -0.02 0.00 -3.05 0.00 0.00 64.05 59.32 1shc n THR 25 Cb 0.55 1.45 -0.01 0.00 -1.55 0.00 0.00 70.33 70.78 1shc n THR 25 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1shc n ARG 26 N 0.45 0.08 0.00 1.09 -4.01 -1.26 -5.08 116.66 107.93 1shc n ARG 26 Ca 0.05 -0.38 0.00 0.00 -1.04 0.00 0.00 57.85 56.48 1shc n ARG 26 Cb 0.70 0.35 0.00 0.00 -3.04 0.00 0.00 32.46 30.47 1shc n ARG 26 CO 0.00 0.00 0.00 -2.39 -3.04 0.00 0.00 177.63 172.20 1shc n HIS 27 N -0.08 -2.77 0.00 2.89 1.44 -1.26 -5.03 115.22 110.41 1shc n HIS 27 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1shc n HIS 27 Cb 0.08 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.19 1shc n HIS 27 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1shc n GLY 28 N 2.16 -1.85 2.45 -1.39 0.00 -1.26 -4.86 105.19 100.44 1shc n GLY 28 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1shc n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1shc n SER 29 N 0.00 -2.76 0.00 1.61 7.64 -1.26 -4.63 113.62 114.22 1shc n SER 29 Ca 0.00 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1shc n SER 29 Cb 0.00 -3.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 1shc n SER 29 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1shc n PHE 30 N -2.75 0.00 0.00 1.43 -1.74 -1.26 -4.75 117.46 108.39 1shc n PHE 30 Ca -0.13 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.76 1shc n PHE 30 Cb 0.59 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.59 1shc n PHE 30 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 1shc n VAL 31 N 0.00 0.00 0.08 1.97 0.31 -1.26 -4.68 118.33 114.75 1shc n VAL 31 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.53 1shc n VAL 31 Cb 0.00 0.00 0.74 0.00 -0.91 0.00 0.00 33.84 33.67 1shc n VAL 31 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1shc h ASN 32 N 0.00 0.00 -3.73 4.52 -0.26 -1.94 -3.41 115.58 110.76 1shc h ASN 32 Ca 0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 55.37 1shc h ASN 32 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.11 1shc h ASN 32 CO 0.00 0.00 -0.72 -1.59 -1.06 0.00 0.00 177.43 174.06 1shc s LYS 33 N -4.77 1.14 0.10 0.81 0.00 -1.26 -5.05 119.74 110.71 1shc s LYS 33 Ca -0.05 -1.48 -0.08 0.00 0.00 0.00 0.00 55.97 54.35 1shc s LYS 33 Cb 0.17 -0.79 -0.19 0.00 0.00 0.00 0.00 37.83 37.02 1shc s LYS 33 CO 0.62 0.11 1.22 -1.00 0.00 0.00 0.00 175.35 176.30 1shc h PRO 34 N 2.75 0.50 0.00 1.78 0.13 -2.01 -3.41 132.00 131.73 1shc h PRO 34 Ca -0.37 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1shc h PRO 34 Cb 1.20 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1shc h PRO 34 CO 0.62 1.22 0.00 0.25 -0.23 0.00 0.00 178.00 179.87 1shc n THR 35 N -3.75 0.00 0.00 1.56 -2.24 -1.26 -5.01 114.28 103.58 1shc n THR 35 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1shc n THR 35 Cb 0.90 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1shc n THR 35 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1shc n ARG 36 N 0.00 0.00 0.00 -0.78 0.00 -1.26 -5.02 116.66 109.60 1shc n ARG 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1shc n ARG 36 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1shc n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1shc n GLY 37 N 0.00 2.04 7.00 2.89 0.00 -1.26 -4.69 105.19 111.17 1shc n GLY 37 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1shc n GLY 37 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1shc n TRP 38 N 0.00 -1.35 -0.64 1.61 7.02 -1.26 -3.81 117.44 119.00 1shc n TRP 38 Ca 0.00 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.17 1shc n TRP 38 Cb 0.00 0.19 0.28 0.00 -2.42 0.00 0.00 31.31 29.36 1shc n TRP 38 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1shc s LEU 39 N 0.00 -0.60 0.26 -0.99 1.43 -1.26 -4.77 118.68 112.75 1shc s LEU 39 Ca 0.00 0.67 0.14 0.00 -1.03 0.00 0.00 54.13 53.90 1shc s LEU 39 Cb 0.00 -2.14 0.12 0.00 0.03 0.00 0.00 46.19 44.20 1shc s LEU 39 CO 0.00 -5.05 1.46 1.12 0.23 0.00 0.00 176.35 174.11 1shc h HIS 40 N -3.21 0.00 -0.68 0.29 2.07 -1.97 -2.78 115.15 108.86 1shc h HIS 40 Ca -0.41 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.09 1shc h HIS 40 Cb 1.32 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.27 1shc h HIS 40 CO -3.34 0.60 0.36 -1.35 -3.07 0.00 0.00 177.93 171.12 1shc h PRO 41 N 0.00 0.96 0.10 5.12 0.11 -1.92 -1.85 132.00 134.52 1shc h PRO 41 Ca -0.01 -0.12 -0.16 0.00 0.11 0.00 0.00 66.00 65.82 1shc h PRO 41 Cb 1.38 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.32 1shc h PRO 41 CO 0.08 0.74 -0.72 -0.97 -0.21 0.00 0.00 178.00 176.92 1shc h ASN 42 N 0.94 0.34 -0.80 -2.05 -1.24 -1.88 -1.77 115.58 109.12 1shc h ASN 42 Ca 0.24 -0.94 0.12 0.00 0.71 0.00 0.00 56.30 56.43 1shc h ASN 42 Cb 0.07 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 38.95 1shc h ASN 42 CO -0.03 1.34 0.52 -0.78 -1.29 0.00 0.00 177.43 177.19 1shc h ASP 43 N -0.52 0.57 0.60 1.15 3.58 -1.48 -1.58 116.42 118.74 1shc h ASP 43 Ca -0.14 0.02 -0.28 0.00 0.42 0.00 0.00 57.03 57.06 1shc h ASP 43 Cb 1.51 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.45 1shc h ASP 43 CO 0.10 0.31 -1.43 0.50 -2.88 0.00 0.00 179.24 175.85 1shc h LYS 44 N 0.62 0.14 -0.92 0.28 1.63 -1.42 -2.16 116.57 114.74 1shc h LYS 44 Ca 0.39 -0.24 0.11 0.00 -0.85 0.00 0.00 60.65 60.05 1shc h LYS 44 Cb 0.64 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.28 1shc h LYS 44 CO -0.15 0.98 0.56 0.28 -3.45 0.00 0.00 179.45 177.66 1shc h VAL 45 N 0.04 0.91 0.05 2.00 2.07 -0.36 0.19 116.25 121.14 1shc h VAL 45 Ca -0.19 -0.31 -0.23 0.00 0.82 0.00 0.00 66.70 66.79 1shc h VAL 45 Cb 1.95 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1shc h VAL 45 CO 0.14 0.16 -1.08 0.24 0.02 0.00 0.00 177.57 177.05 1shc h MET 46 N 0.90 0.11 0.00 1.57 2.86 -1.52 -2.10 114.93 116.76 1shc h MET 46 Ca 0.45 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1shc h MET 46 Cb 0.43 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1shc h MET 46 CO -0.26 1.08 0.00 0.41 1.06 0.00 0.00 176.91 179.20 1shc n GLY 47 N 1.38 -0.40 0.17 8.32 0.00 0.38 -4.85 105.19 110.19 1shc n GLY 47 Ca -0.03 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.12 1shc n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1shc h PRO 48 N 0.00 0.00 0.00 1.61 0.13 -1.86 -3.45 132.00 128.43 1shc h PRO 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1shc h PRO 48 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1shc h PRO 48 CO 0.00 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 1shc n GLY 49 N 0.23 3.80 3.30 1.56 0.00 0.36 -4.78 105.19 109.67 1shc n GLY 49 Ca -0.01 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1shc n GLY 49 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1shc n VAL 50 N 0.00 0.00 -3.06 1.61 0.24 -0.28 -4.65 118.33 112.19 1shc n VAL 50 Ca 0.00 -0.24 0.03 0.00 -2.04 0.00 0.00 64.34 62.09 1shc n VAL 50 Cb 0.00 -0.91 -0.00 0.00 -1.47 0.00 0.00 33.84 31.46 1shc n VAL 50 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1shc s SER 51 N -2.58 -1.00 0.07 -1.34 1.04 -1.25 -1.95 113.70 106.69 1shc s SER 51 Ca 0.64 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1shc s SER 51 Cb -0.17 1.40 0.00 0.00 0.10 0.00 0.00 66.02 67.35 1shc s SER 51 CO 0.59 -0.14 0.00 -1.22 0.98 0.00 0.00 173.24 173.45 1shc n TYR 52 N 4.51 -1.83 -3.70 5.02 4.01 -0.92 -4.81 117.16 119.44 1shc n TYR 52 Ca 0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.52 1shc n TYR 52 Cb 0.58 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.46 1shc n TYR 52 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1shc s LEU 53 N 0.00 1.91 -0.10 7.72 1.02 -0.91 -1.52 118.68 126.80 1shc s LEU 53 Ca 0.00 -1.57 0.04 0.00 0.02 0.00 0.00 54.13 52.61 1shc s LEU 53 Cb 0.00 -0.77 -0.00 0.00 0.02 0.00 0.00 46.19 45.44 1shc s LEU 53 CO 0.00 -0.42 -0.23 0.54 0.02 0.00 0.00 176.35 176.26 1shc s VAL 54 N 1.71 2.12 0.04 -1.59 0.11 -0.74 -3.55 120.40 118.50 1shc s VAL 54 Ca 0.10 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.89 1shc s VAL 54 Cb -0.17 -1.81 -0.05 0.00 -1.53 0.00 0.00 36.38 32.82 1shc s VAL 54 CO -0.28 0.56 0.81 0.00 -3.33 0.00 0.00 175.10 172.86 1shc s ARG 55 N 0.35 4.53 0.53 1.54 1.70 -0.54 -1.97 118.95 125.09 1shc s ARG 55 Ca -0.18 1.14 -0.17 0.00 -0.47 0.00 0.00 55.73 56.05 1shc s ARG 55 Cb -0.18 -3.39 -0.07 0.00 -0.57 0.00 0.00 34.95 30.75 1shc s ARG 55 CO 0.09 0.21 1.02 -0.47 -1.08 0.00 0.00 175.30 175.06 1shc s TYR 56 N 0.18 3.19 -0.48 5.89 5.04 -0.92 -2.12 117.35 128.13 1shc s TYR 56 Ca 0.41 1.51 0.08 0.00 -2.44 0.00 0.00 57.07 56.64 1shc s TYR 56 Cb -0.21 -2.92 0.31 0.00 0.35 0.00 0.00 41.96 39.49 1shc s TYR 56 CO 0.24 -0.69 0.75 -0.12 -1.34 0.00 0.00 175.55 174.39 1shc n MET 57 N -1.55 1.82 -0.66 4.97 1.56 -0.45 -1.55 117.12 121.26 1shc n MET 57 Ca 0.08 -3.98 0.09 0.00 -0.27 0.00 0.00 57.70 53.61 1shc n MET 57 Cb 0.53 -1.85 -0.02 0.00 2.15 0.00 0.00 33.22 34.04 1shc n MET 57 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1shc n GLY 58 N 0.47 -1.73 2.83 -5.12 0.00 -0.22 -4.68 105.19 96.74 1shc n GLY 58 Ca 0.27 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1shc n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shc s VAL 60 N 0.54 4.87 0.12 0.00 -7.23 -0.96 -1.39 120.40 116.35 1shc s VAL 60 Ca -0.05 -0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.12 1shc s VAL 60 Cb -0.07 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1shc s VAL 60 CO -0.01 0.55 0.24 -1.61 -0.31 0.00 0.00 175.10 173.96 1shc s GLU 61 N -0.40 3.37 0.44 4.82 2.02 -0.79 -0.38 118.70 127.77 1shc s GLU 61 Ca 0.10 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.55 1shc s GLU 61 Cb -0.12 -2.95 -0.06 0.00 0.10 0.00 0.00 34.13 31.10 1shc s GLU 61 CO 0.02 0.54 0.01 0.08 0.02 0.00 0.00 175.26 175.93 1shc s VAL 62 N -1.67 1.78 0.00 2.63 1.01 -0.85 -2.00 120.40 121.30 1shc s VAL 62 Ca 0.34 -2.00 0.21 0.00 0.00 0.00 0.00 61.98 60.53 1shc s VAL 62 Cb -0.11 -2.77 0.35 0.00 0.00 0.00 0.00 36.38 33.84 1shc s VAL 62 CO 0.28 0.00 1.13 0.18 0.00 0.00 0.00 175.10 176.69 1shc n LEU 63 N -1.05 0.78 -4.98 3.92 4.77 0.44 -4.62 117.00 116.25 1shc n LEU 63 Ca -0.09 -1.84 -0.21 0.00 -0.03 0.00 0.00 56.01 53.85 1shc n LEU 63 Cb 0.67 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.79 1shc n LEU 63 CO 0.46 0.49 0.20 0.00 -1.33 0.00 0.00 177.39 177.22 1shc s GLN 64 N 0.00 2.40 0.40 3.23 -2.07 -1.26 -4.72 119.66 117.64 1shc s GLN 64 Ca 0.27 -1.66 -0.07 0.00 -1.82 0.00 0.00 55.36 52.09 1shc s GLN 64 Cb 0.31 -2.50 0.10 0.00 -1.09 0.00 0.00 33.01 29.84 1shc s GLN 64 CO -0.14 -0.63 0.27 0.45 -1.32 0.00 0.00 175.29 173.93 1shc n SER 65 N -1.98 -2.24 -3.97 12.60 2.88 -1.26 -5.00 113.62 114.64 1shc n SER 65 Ca 0.09 -0.38 -0.24 0.00 -1.33 0.00 0.00 58.87 57.00 1shc n SER 65 Cb 0.62 -0.29 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 1shc n SER 65 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1shc s MET 66 N -3.63 1.89 -1.11 -1.46 1.75 -1.26 -4.89 119.30 110.58 1shc s MET 66 Ca 0.20 -2.14 -0.12 0.00 -1.25 0.00 0.00 55.69 52.38 1shc s MET 66 Cb -0.03 -0.42 -0.04 0.00 2.84 0.00 0.00 34.83 37.19 1shc s MET 66 CO 0.16 -0.51 0.85 0.54 -0.65 0.00 0.00 175.02 175.41 1shc n ARG 67 N -0.85 -2.11 -3.93 4.11 3.00 -1.26 -5.00 116.66 110.62 1shc n ARG 67 Ca -0.03 0.66 -0.10 0.00 -0.01 0.00 0.00 57.85 58.37 1shc n ARG 67 Cb 0.64 -5.02 -0.10 0.00 0.00 0.00 0.00 32.46 27.99 1shc n ARG 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1shc s ALA 68 N -3.45 -0.08 0.00 7.54 0.00 -1.26 -5.10 121.76 119.41 1shc s ALA 68 Ca 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1shc s ALA 68 Cb -0.10 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1shc s ALA 68 CO 0.80 -0.27 0.00 -0.11 0.00 0.00 0.00 175.76 176.18 1shc n LEU 69 N 1.03 0.00 -2.38 0.00 -0.00 -1.26 -5.09 117.00 109.30 1shc n LEU 69 Ca -0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.80 1shc n LEU 69 Cb 0.57 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.95 1shc n LEU 69 CO 0.22 -0.34 -0.50 0.47 -0.00 0.00 0.00 177.39 177.24 1shc n ASP 70 N -2.05 -8.29 0.16 1.96 8.00 -1.26 -3.97 116.55 111.10 1shc n ASP 70 Ca 0.00 1.80 0.03 0.00 0.71 0.00 0.00 54.79 57.33 1shc n ASP 70 Cb 0.00 -5.11 0.25 0.00 -0.02 0.00 0.00 41.12 36.24 1shc n ASP 70 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1shc h PHE 71 N 4.30 0.00 0.00 1.24 3.04 -1.99 -1.94 116.94 121.58 1shc h PHE 71 Ca -0.06 0.00 -0.39 0.00 3.98 0.00 0.00 57.97 61.50 1shc h PHE 71 Cb 0.14 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.58 1shc h PHE 71 CO 0.00 0.48 -2.47 0.09 -2.02 0.00 0.00 178.31 174.40 1shc n ASN 72 N -3.60 1.85 0.18 0.41 4.13 -1.26 -3.97 115.26 113.00 1shc n ASN 72 Ca -0.00 -0.13 0.03 0.00 1.68 0.00 0.00 54.58 56.16 1shc n ASN 72 Cb 0.57 -0.31 0.33 0.00 -1.54 0.00 0.00 39.78 38.83 1shc n ASN 72 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1shc h THR 73 N 0.00 1.16 -0.01 3.41 2.02 -1.87 -2.00 112.91 115.63 1shc h THR 73 Ca -0.58 -1.53 -0.18 0.00 0.77 0.00 0.00 66.41 64.90 1shc h THR 73 Cb 1.92 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 70.17 1shc h THR 73 CO -0.08 0.42 -0.82 -0.09 0.37 0.00 0.00 175.52 175.32 1shc h ARG 74 N 0.00 0.15 0.00 6.66 2.43 -1.48 -2.52 114.38 119.62 1shc h ARG 74 Ca -0.00 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 58.86 1shc h ARG 74 Cb 0.82 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1shc h ARG 74 CO 0.06 0.88 -0.79 1.79 -1.51 0.00 0.00 179.97 180.40 1shc h THR 75 N 0.09 1.11 0.05 0.20 1.35 -1.64 -1.87 112.91 112.19 1shc h THR 75 Ca -0.03 -2.61 -0.11 0.00 -0.55 0.00 0.00 66.41 63.11 1shc h THR 75 Cb 1.42 2.53 0.01 0.00 -1.73 0.00 0.00 68.15 70.38 1shc h THR 75 CO 0.12 0.63 -0.47 1.56 -0.25 0.00 0.00 175.52 177.12 1shc h GLN 76 N 0.00 0.23 0.06 4.72 4.20 -1.35 -2.05 115.11 120.91 1shc h GLN 76 Ca -0.03 -0.31 -0.28 0.00 0.06 0.00 0.00 58.65 58.09 1shc h GLN 76 Cb 1.55 0.10 0.02 0.00 0.30 0.00 0.00 27.48 29.45 1shc h GLN 76 CO 0.08 1.08 -1.13 -0.24 -0.67 0.00 0.00 178.83 177.95 1shc h VAL 77 N -0.47 1.31 -0.31 -0.54 3.04 -1.57 -1.41 116.25 116.30 1shc h VAL 77 Ca -0.07 -2.42 -0.10 0.00 -1.01 0.00 0.00 66.70 63.10 1shc h VAL 77 Cb 1.28 2.56 -0.01 0.00 -2.01 0.00 0.00 31.29 33.11 1shc h VAL 77 CO 0.09 0.74 -0.19 0.74 -1.01 0.00 0.00 177.57 177.93 1shc h THR 78 N 0.30 1.30 0.00 3.17 2.02 -1.47 -2.56 112.91 115.67 1shc h THR 78 Ca -0.15 -1.32 -0.11 0.00 0.77 0.00 0.00 66.41 65.60 1shc h THR 78 Cb 1.79 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 1shc h THR 78 CO 0.21 0.42 -0.51 0.08 0.37 0.00 0.00 175.52 176.10 1shc h ARG 79 N 0.42 0.00 0.69 6.66 0.11 -1.45 -2.10 114.38 118.72 1shc h ARG 79 Ca 0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 1shc h ARG 79 Cb 0.73 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.82 1shc h ARG 79 CO 0.05 0.51 -0.33 1.49 0.10 0.00 0.00 179.97 181.79 1shc h GLU 80 N 0.00 -0.89 0.26 0.08 4.57 -1.10 0.14 114.58 117.64 1shc h GLU 80 Ca -0.01 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1shc h GLU 80 Cb 1.10 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1shc h GLU 80 CO 0.07 -0.60 -0.13 0.00 -1.18 0.00 0.00 179.01 177.18 1shc h ALA 81 N -1.32 -0.35 -0.30 2.92 0.00 -1.54 -1.09 119.26 117.58 1shc h ALA 81 Ca -0.09 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1shc h ALA 81 Cb 0.71 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1shc h ALA 81 CO 0.16 -0.69 0.38 0.82 0.00 0.00 0.00 179.25 179.91 1shc h ILE 82 N -0.36 0.32 -0.01 0.00 2.04 -1.44 0.92 117.51 118.99 1shc h ILE 82 Ca -0.04 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.60 1shc h ILE 82 Cb 0.28 0.69 0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1shc h ILE 82 CO 0.06 0.00 -0.87 -1.28 0.00 0.00 0.00 178.15 176.06 1shc h SER 83 N 0.00 0.78 0.66 1.72 0.87 0.32 -2.42 113.55 115.47 1shc h SER 83 Ca 0.14 -0.74 -0.03 0.00 -1.23 0.00 0.00 61.79 59.93 1shc h SER 83 Cb 0.89 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1shc h SER 83 CO -0.00 1.41 -0.14 0.25 -0.53 0.00 0.00 176.83 177.82 1shc h LEU 84 N 0.22 0.00 0.00 2.23 6.46 -0.29 -1.17 115.31 122.76 1shc h LEU 84 Ca -0.11 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1shc h LEU 84 Cb 1.54 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.47 1shc h LEU 84 CO 0.17 0.14 -0.07 0.58 -0.62 0.00 0.00 178.44 178.65 1shc h VAL 85 N 0.00 0.17 0.00 1.05 2.07 -1.31 0.19 116.25 118.42 1shc h VAL 85 Ca -0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1shc h VAL 85 Cb 0.51 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1shc h VAL 85 CO 0.02 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1shc n GLU 87 N -3.00 0.10 -0.23 0.00 1.02 -0.44 -3.86 120.64 114.22 1shc n GLU 87 Ca -0.03 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1shc n GLU 87 Cb 0.08 -0.67 0.15 0.00 -0.02 0.00 0.00 31.44 30.98 1shc n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1shc h ALA 88 N -1.77 0.88 -3.27 0.62 0.00 -1.03 -3.28 119.26 111.40 1shc h ALA 88 Ca 0.00 0.14 -0.68 0.00 0.00 0.00 0.00 54.91 54.37 1shc h ALA 88 Cb 0.19 0.17 -0.37 0.00 0.00 0.00 0.00 17.79 17.78 1shc h ALA 88 CO 0.00 -0.29 -0.51 0.54 0.00 0.00 0.00 179.25 178.98 1shc s VAL 89 N -6.06 3.18 0.78 0.00 0.11 -0.53 -5.04 120.40 112.84 1shc s VAL 89 Ca -0.13 -2.72 -0.16 0.00 -2.93 0.00 0.00 61.98 56.04 1shc s VAL 89 Cb 0.20 -3.16 -0.09 0.00 -1.53 0.00 0.00 36.38 31.80 1shc s VAL 89 CO 0.75 -0.78 -0.07 -2.65 -3.33 0.00 0.00 175.10 169.02 1shc n PRO 90 N 3.80 0.06 0.00 1.54 -0.02 -1.24 -4.30 135.00 134.85 1shc n PRO 90 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1shc n PRO 90 Cb 0.38 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1shc n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1shc n GLY 91 N 2.43 0.81 0.00 -1.23 0.00 -1.26 -4.99 105.19 100.95 1shc n GLY 91 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1shc n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shc n ALA 92 N 0.00 0.00 -3.47 4.61 0.00 -1.26 -5.03 120.51 115.36 1shc n ALA 92 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1shc n ALA 92 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1shc n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1shc s LYS 93 N -1.32 0.88 0.00 0.00 -0.14 -1.26 -4.85 119.74 113.05 1shc s LYS 93 Ca 0.00 -1.88 0.00 0.00 -1.36 0.00 0.00 55.97 52.73 1shc s LYS 93 Cb 0.00 -1.55 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 1shc s LYS 93 CO 0.00 -1.30 0.00 0.41 -0.76 0.00 0.00 175.35 173.70 1shc n GLY 94 N 3.29 0.95 0.00 -3.33 0.00 -1.26 -5.03 105.19 99.82 1shc n GLY 94 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1shc n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shc n ALA 95 N 0.00 0.00 -0.01 4.61 0.00 -1.26 -5.03 120.51 118.82 1shc n ALA 95 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1shc n ALA 95 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1shc n ALA 95 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1shc h THR 96 N 0.00 1.19 -1.28 0.00 2.02 -1.92 -3.25 112.91 109.67 1shc h THR 96 Ca 0.00 -2.38 0.14 0.00 0.77 0.00 0.00 66.41 64.94 1shc h THR 96 Cb 0.00 2.80 -0.25 0.00 -1.74 0.00 0.00 68.15 68.96 1shc h THR 96 CO 0.00 0.63 0.27 -0.60 0.37 0.00 0.00 175.52 176.20 1shc s ARG 97 N -2.42 0.34 -0.15 6.66 3.00 -1.26 -4.44 118.95 120.68 1shc s ARG 97 Ca -0.20 0.74 0.06 0.00 -1.00 0.00 0.00 55.73 55.32 1shc s ARG 97 Cb 0.03 0.30 0.18 0.00 0.00 0.00 0.00 34.95 35.47 1shc s ARG 97 CO 0.74 -0.10 1.00 -2.13 0.00 0.00 0.00 175.30 174.82 1shc n ARG 98 N 4.46 0.60 -2.88 5.12 0.00 -1.26 -5.06 116.66 117.64 1shc n ARG 98 Ca -0.13 -0.73 -0.05 0.00 -0.00 0.00 0.00 57.85 56.94 1shc n ARG 98 Cb 0.55 0.34 0.01 0.00 0.00 0.00 0.00 32.46 33.35 1shc n ARG 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1shc n ARG 99 N -0.69 -2.67 -3.14 -0.14 5.12 -1.26 -4.97 116.66 108.92 1shc n ARG 99 Ca -0.13 2.25 -0.22 0.00 -1.93 0.00 0.00 57.85 57.82 1shc n ARG 99 Cb 0.68 -4.68 -0.04 0.00 -1.16 0.00 0.00 32.46 27.25 1shc n ARG 99 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1shc n LYS 100 N 0.42 1.71 0.00 5.56 3.00 -1.26 -4.98 118.16 122.62 1shc n LYS 100 Ca 0.03 -3.89 0.00 0.00 -0.00 0.00 0.00 58.31 54.45 1shc n LYS 100 Cb 0.25 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.45 1shc n LYS 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1shc n PRO 101 N 0.36 0.00 -1.30 1.64 -0.04 -1.26 -5.04 135.00 129.36 1shc n PRO 101 Ca 0.27 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1shc n PRO 101 Cb 0.54 -0.56 -0.06 0.00 -0.04 0.00 0.00 33.50 33.38 1shc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1shc n SER 103 N -3.66 0.00 -2.74 0.00 2.88 -1.26 -5.04 113.62 103.80 1shc n SER 103 Ca -0.06 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.40 1shc n SER 103 Cb 0.56 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.08 1shc n SER 103 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1shc n ARG 104 N 0.00 0.77 -1.52 -1.46 0.00 -1.26 -5.08 116.66 108.11 1shc n ARG 104 Ca 0.00 -1.68 -0.26 0.00 -0.00 0.00 0.00 57.85 55.91 1shc n ARG 104 Cb 0.00 -1.23 -0.14 0.00 -0.00 0.00 0.00 32.46 31.09 1shc n ARG 104 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1shc n PRO 105 N 1.27 0.30 -3.50 2.89 -0.02 -1.26 -4.78 135.00 129.90 1shc n PRO 105 Ca 0.07 -0.22 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 1shc n PRO 105 Cb 0.66 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1shc n PRO 105 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1shc s LEU 106 N 7.71 -0.37 -0.08 2.45 1.43 -1.26 -4.72 118.68 123.84 1shc s LEU 106 Ca 1.18 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 54.73 1shc s LEU 106 Cb -0.66 1.48 -0.03 0.00 0.03 0.00 0.00 46.19 47.02 1shc s LEU 106 CO 0.38 -0.08 -0.19 -1.20 0.23 0.00 0.00 176.35 175.49 1shc n SER 107 N 4.08 1.24 -3.26 2.29 7.64 -1.26 -4.89 113.62 119.47 1shc n SER 107 Ca -0.14 0.20 -0.25 0.00 1.01 0.00 0.00 58.87 59.70 1shc n SER 107 Cb 0.55 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 1shc n SER 107 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1shc n SER 108 N -3.73 1.15 -3.05 6.43 7.64 -1.26 -4.99 113.62 115.82 1shc n SER 108 Ca -0.07 -2.89 -0.10 0.00 1.01 0.00 0.00 58.87 56.81 1shc n SER 108 Cb 0.28 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 1shc n SER 108 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1shc s ILE 109 N -1.53 -0.64 -1.57 0.44 -4.36 -1.26 -4.75 121.20 107.53 1shc s ILE 109 Ca 0.36 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1shc s ILE 109 Cb 0.16 -0.34 0.00 0.00 1.25 0.00 0.00 42.46 43.53 1shc s ILE 109 CO -0.08 -0.33 0.00 -0.11 0.24 0.00 0.00 174.94 174.66 1shc n LEU 110 N 3.36 0.00 0.00 0.37 0.00 -1.26 -4.86 117.00 114.61 1shc n LEU 110 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.19 1shc n LEU 110 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 1shc n LEU 110 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.02 1shc n GLY 111 N 0.00 -1.70 0.00 -3.96 0.00 -1.22 -0.42 105.19 97.89 1shc n GLY 111 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1shc n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1shc n ARG 112 N -0.82 0.00 -2.84 1.61 1.85 -0.85 -4.99 116.66 110.63 1shc n ARG 112 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1shc n ARG 112 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 1shc n ARG 112 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1shc s SER 113 N 0.00 7.12 -0.50 2.89 0.01 -1.26 -1.89 113.70 120.08 1shc s SER 113 Ca 0.00 1.37 -0.16 0.00 1.31 0.00 0.00 55.95 58.47 1shc s SER 113 Cb 0.00 -2.49 0.09 0.00 0.21 0.00 0.00 66.02 63.82 1shc s SER 113 CO 0.00 -0.32 0.44 0.21 0.41 0.00 0.00 173.24 173.99 1shc s ASN 114 N 1.03 6.16 -0.83 2.44 3.84 -0.49 -4.94 114.94 122.15 1shc s ASN 114 Ca 0.44 -1.43 -0.03 0.00 0.21 0.00 0.00 52.86 52.04 1shc s ASN 114 Cb -0.18 -2.20 0.24 0.00 -0.55 0.00 0.00 41.25 38.55 1shc s ASN 114 CO 0.18 -0.73 2.24 0.18 -2.79 0.00 0.00 177.10 176.19 1shc n LEU 115 N 5.30 7.27 0.10 3.21 7.99 -1.26 -1.78 117.00 137.83 1shc n LEU 115 Ca -0.12 -4.74 -0.02 0.00 -0.01 0.00 0.00 56.01 51.12 1shc n LEU 115 Cb 0.43 -1.17 -0.02 0.00 -0.11 0.00 0.00 43.42 42.55 1shc n LEU 115 CO 0.50 1.85 0.33 0.50 -1.51 0.00 0.00 177.39 179.05 1shc h LYS 116 N 3.43 0.00 -2.33 3.23 3.64 -1.92 -3.39 116.57 119.23 1shc h LYS 116 Ca 0.53 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 59.33 1shc h LYS 116 Cb 0.31 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 31.74 1shc h LYS 116 CO 1.24 0.73 -0.98 1.19 -2.27 0.00 0.00 179.45 179.36 1shc n PHE 117 N -3.33 -0.59 -2.86 1.91 3.72 -1.26 -5.04 117.46 110.01 1shc n PHE 117 Ca 0.01 -3.41 -0.43 0.00 -0.05 0.00 0.00 57.45 53.57 1shc n PHE 117 Cb 0.81 0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 39.42 1shc n PHE 117 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1shc s ALA 118 N -0.26 3.22 0.00 4.37 0.00 -1.26 -1.05 121.76 126.78 1shc s ALA 118 Ca 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1shc s ALA 118 Cb 0.06 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1shc s ALA 118 CO -0.18 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 173.85 1shc n GLY 119 N 5.01 0.39 2.44 0.00 0.00 -0.60 -4.94 105.19 107.50 1shc n GLY 119 Ca 0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1shc n GLY 119 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1shc s MET 120 N -0.50 0.91 -0.35 1.61 0.00 -0.70 -4.90 119.30 115.36 1shc s MET 120 Ca 0.00 -1.95 -0.45 0.00 0.00 0.00 0.00 55.69 53.29 1shc s MET 120 Cb 0.00 -1.24 -0.20 0.00 0.00 0.00 0.00 34.83 33.39 1shc s MET 120 CO 0.00 -1.38 1.48 -2.30 0.00 0.00 0.00 175.02 172.83 1shc n PRO 121 N 2.90 0.12 -3.85 4.11 -0.02 -1.26 -2.17 135.00 134.83 1shc n PRO 121 Ca 0.28 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1shc n PRO 121 Cb 0.49 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 1shc n PRO 121 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1shc s ILE 122 N 2.29 -0.01 -0.20 4.25 -4.36 -0.83 -1.19 121.20 121.15 1shc s ILE 122 Ca 1.01 0.03 -0.29 0.00 -0.26 0.00 0.00 60.65 61.14 1shc s ILE 122 Cb -1.40 -0.05 0.00 0.00 1.25 0.00 0.00 42.46 42.26 1shc s ILE 122 CO 0.74 0.01 1.07 -0.89 0.24 0.00 0.00 174.94 176.12 1shc s THR 123 N 0.18 4.63 -1.01 8.37 2.01 -0.17 -1.79 115.64 127.85 1shc s THR 123 Ca -0.01 1.95 -0.19 0.00 0.31 0.00 0.00 61.69 63.74 1shc s THR 123 Cb -0.02 -4.26 0.11 0.00 0.01 0.00 0.00 72.50 68.34 1shc s THR 123 CO -0.01 -0.14 1.30 -0.22 -0.69 0.00 0.00 174.62 174.87 1shc s LEU 124 N 3.03 4.49 -0.15 4.42 2.96 -0.57 -0.36 118.68 132.49 1shc s LEU 124 Ca 0.46 -1.99 -0.20 0.00 -0.22 0.00 0.00 54.13 52.19 1shc s LEU 124 Cb -0.17 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1shc s LEU 124 CO 0.09 -1.18 0.56 -0.89 -1.32 0.00 0.00 176.35 173.62 1shc s THR 125 N 3.39 5.10 -0.22 3.68 2.01 -0.18 -2.16 115.64 127.27 1shc s THR 125 Ca 0.39 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.49 1shc s THR 125 Cb -0.02 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.62 1shc s THR 125 CO -0.07 0.22 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.26 1shc s VAL 126 N 1.23 2.45 0.52 3.82 1.01 -0.82 -0.78 120.40 127.83 1shc s VAL 126 Ca 0.28 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1shc s VAL 126 Cb -0.16 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1shc s VAL 126 CO 0.11 0.31 0.15 -0.55 0.00 0.00 0.00 175.10 175.12 1shc s SER 127 N 1.28 4.31 -0.70 3.32 0.15 -0.82 -1.13 113.70 120.11 1shc s SER 127 Ca 0.01 -1.49 -0.26 0.00 0.70 0.00 0.00 55.95 54.92 1shc s SER 127 Cb -0.16 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.51 1shc s SER 127 CO -0.08 -0.92 2.14 0.42 1.20 0.00 0.00 173.24 176.01 1shc s THR 128 N -2.83 3.22 -0.49 6.45 -4.23 -0.79 -2.00 115.64 114.97 1shc s THR 128 Ca 0.17 -0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 1shc s THR 128 Cb 0.01 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1shc s THR 128 CO 0.10 -0.50 0.25 -0.24 -0.54 0.00 0.00 174.62 173.70 1shc n SER 129 N 15.25 -3.15 -2.93 3.99 2.88 -1.24 -4.91 113.62 123.50 1shc n SER 129 Ca 0.36 -0.12 -0.14 0.00 -1.33 0.00 0.00 58.87 57.64 1shc n SER 129 Cb 0.49 -1.97 -0.00 0.00 -0.75 0.00 0.00 64.21 61.98 1shc n SER 129 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1shc n SER 130 N 0.26 -1.74 -4.57 -3.46 7.64 -0.85 -4.69 113.62 106.21 1shc n SER 130 Ca -0.03 -3.03 -0.40 0.00 1.01 0.00 0.00 58.87 56.43 1shc n SER 130 Cb 0.53 0.85 -0.02 0.00 -1.01 0.00 0.00 64.21 64.56 1shc n SER 130 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1shc s LEU 131 N -0.75 3.56 -0.20 -3.43 0.20 -1.10 -1.94 118.68 115.02 1shc s LEU 131 Ca 0.33 -1.72 -0.12 0.00 0.69 0.00 0.00 54.13 53.31 1shc s LEU 131 Cb 0.19 -2.57 -0.05 0.00 -0.43 0.00 0.00 46.19 43.33 1shc s LEU 131 CO -0.19 -1.58 0.21 0.20 -0.29 0.00 0.00 176.35 174.71 1shc s ASN 132 N 5.07 6.27 -0.59 3.68 0.01 0.04 -2.54 114.94 126.88 1shc s ASN 132 Ca 0.52 0.31 -0.10 0.00 -0.71 0.00 0.00 52.86 52.87 1shc s ASN 132 Cb 0.01 -2.14 0.15 0.00 0.41 0.00 0.00 41.25 39.68 1shc s ASN 132 CO -0.02 0.10 0.48 -0.76 -1.51 0.00 0.00 177.10 175.39 1shc s LEU 133 N 0.69 5.93 0.81 0.60 1.02 -0.98 -1.01 118.68 125.74 1shc s LEU 133 Ca 0.11 -2.26 -0.14 0.00 0.02 0.00 0.00 54.13 51.86 1shc s LEU 133 Cb -0.13 -2.05 0.02 0.00 0.02 0.00 0.00 46.19 44.05 1shc s LEU 133 CO 0.02 -0.63 0.74 0.80 0.02 0.00 0.00 176.35 177.31 1shc n MET 134 N 4.46 0.13 -3.68 1.70 1.56 0.51 -0.67 117.12 121.13 1shc n MET 134 Ca -0.01 0.10 -0.39 0.00 -0.27 0.00 0.00 57.70 57.13 1shc n MET 134 Cb 0.42 -2.06 -0.11 0.00 2.15 0.00 0.00 33.22 33.62 1shc n MET 134 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1shc s ALA 135 N -2.10 3.17 -0.41 -5.12 0.00 -0.73 -1.00 121.76 115.56 1shc s ALA 135 Ca 0.66 -1.88 0.06 0.00 0.00 0.00 0.00 51.96 50.80 1shc s ALA 135 Cb -0.30 -2.45 0.50 0.00 0.00 0.00 0.00 23.12 20.87 1shc s ALA 135 CO 0.58 -1.45 1.44 0.00 0.00 0.00 0.00 175.76 176.33 1shc n ALA 136 N 4.87 3.90 -0.01 0.00 0.00 -0.34 -2.32 120.51 126.62 1shc n ALA 136 Ca -0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 53.44 51.79 1shc n ALA 136 Cb 0.44 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 1shc n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1shc n ASP 137 N -0.02 0.17 -1.88 0.00 -0.08 -1.21 -4.74 116.55 108.79 1shc n ASP 137 Ca 0.27 0.03 -0.21 0.00 -1.51 0.00 0.00 54.79 53.37 1shc n ASP 137 Cb 1.05 -0.40 0.13 0.00 2.34 0.00 0.00 41.12 44.23 1shc n ASP 137 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1shc n LYS 139 N -1.00 -1.46 0.00 0.00 5.02 -1.25 -5.01 118.16 114.46 1shc n LYS 139 Ca 0.50 1.34 0.00 0.00 -2.02 0.00 0.00 58.31 58.12 1shc n LYS 139 Cb 1.06 -4.73 0.00 0.00 -0.02 0.00 0.00 35.03 31.34 1shc n LYS 139 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1shc n GLN 140 N -1.87 0.00 -3.25 1.97 7.27 -0.98 -5.03 117.38 115.50 1shc n GLN 140 Ca -0.08 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.95 1shc n GLN 140 Cb 0.55 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.16 1shc n GLN 140 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1shc s ILE 141 N -0.91 -0.78 -0.79 1.69 1.01 -1.26 -1.78 121.20 118.38 1shc s ILE 141 Ca 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 1shc s ILE 141 Cb 0.00 -0.96 -0.07 0.00 0.01 0.00 0.00 42.46 41.44 1shc s ILE 141 CO 0.00 -0.14 2.09 -0.63 0.00 0.00 0.00 174.94 176.27 1shc s ILE 142 N 2.67 3.28 0.23 2.92 -1.09 0.16 -4.45 121.20 124.92 1shc s ILE 142 Ca 0.12 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1shc s ILE 142 Cb -0.13 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1shc s ILE 142 CO -0.25 -0.62 0.00 0.00 -1.23 0.00 0.00 174.94 172.84 1shc n ALA 143 N 15.16 -2.14 1.39 9.38 0.00 -1.26 -2.32 120.51 140.72 1shc n ALA 143 Ca 0.38 0.43 0.14 0.00 0.00 0.00 0.00 53.44 54.39 1shc n ALA 143 Cb 0.48 -1.36 0.46 0.00 0.00 0.00 0.00 19.45 19.02 1shc n ALA 143 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1shc n ASN 144 N 1.35 1.34 -2.73 0.00 2.85 -1.26 -3.20 115.26 113.62 1shc n ASN 144 Ca 0.00 -1.27 -0.08 0.00 -0.11 0.00 0.00 54.58 53.12 1shc n ASN 144 Cb 0.00 0.05 0.10 0.00 1.24 0.00 0.00 39.78 41.17 1shc n ASN 144 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1shc n HIS 145 N -0.12 -2.17 -2.13 1.20 1.44 -1.26 -4.61 115.22 107.56 1shc n HIS 145 Ca 0.16 -2.13 -0.29 0.00 -2.01 0.00 0.00 57.72 53.45 1shc n HIS 145 Cb 0.36 1.36 -0.05 0.00 0.12 0.00 0.00 29.99 31.78 1shc n HIS 145 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1shc s HIS 146 N -0.17 1.93 -0.40 -1.40 3.76 -1.05 -4.62 115.29 113.33 1shc s HIS 146 Ca 0.23 0.38 0.03 0.00 -0.15 0.00 0.00 55.06 55.55 1shc s HIS 146 Cb 0.37 -4.14 0.28 0.00 1.11 0.00 0.00 32.58 30.19 1shc s HIS 146 CO -0.07 -1.74 1.12 -0.12 -0.85 0.00 0.00 174.74 173.08 1shc n MET 147 N 8.82 0.49 0.00 1.40 0.00 -1.26 -2.71 117.12 123.86 1shc n MET 147 Ca 0.40 -1.24 0.00 0.00 0.00 0.00 0.00 57.70 56.85 1shc n MET 147 Cb 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 33.22 32.92 1shc n MET 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1shc n GLN 148 N 1.26 0.00 0.00 2.12 6.02 -1.26 -4.62 117.38 120.90 1shc n GLN 148 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1shc n GLN 148 Cb 0.69 -0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.92 1shc n GLN 148 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1shc n SER 149 N -1.62 0.00 0.00 1.08 7.64 -1.26 -4.98 113.62 114.48 1shc n SER 149 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1shc n SER 149 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1shc n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1shc n ILE 150 N -0.29 0.00 0.01 0.44 5.41 -0.79 -4.82 119.36 119.33 1shc n ILE 150 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1shc n ILE 150 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1shc n ILE 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1shc n SER 151 N -3.46 -0.22 -3.85 4.38 3.41 -1.13 -4.06 113.62 108.69 1shc n SER 151 Ca 0.00 0.17 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1shc n SER 151 Cb 0.00 0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 1shc n SER 151 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1shc s PHE 152 N -2.00 -0.07 -0.04 7.33 5.36 -0.98 -4.93 117.98 122.65 1shc s PHE 152 Ca 0.00 0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 56.10 1shc s PHE 152 Cb 0.00 0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.71 1shc s PHE 152 CO 0.00 -0.04 0.12 0.00 -1.46 0.00 0.00 175.22 173.84 1shc s ALA 153 N -0.01 -0.30 -0.01 11.12 0.00 -1.26 -0.12 121.76 131.18 1shc s ALA 153 Ca -0.00 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 1shc s ALA 153 Cb -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1shc s ALA 153 CO 0.00 -0.10 0.31 -1.13 0.00 0.00 0.00 175.76 174.84 1shc n SER 154 N 2.61 -0.28 0.00 0.00 3.41 -0.66 -4.99 113.62 113.72 1shc n SER 154 Ca -0.15 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1shc n SER 154 Cb 0.58 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1shc n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1shc n GLY 155 N -0.22 -0.54 0.00 5.00 0.00 -1.26 -1.93 105.19 106.24 1shc n GLY 155 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1shc n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shc n GLY 156 N 0.00 2.45 0.23 -0.02 0.00 -1.26 -4.73 105.19 101.86 1shc n GLY 156 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1shc n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1shc h ASP 157 N 0.00 -0.43 -1.40 1.61 3.32 -1.97 -3.11 116.42 114.44 1shc h ASP 157 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1shc h ASP 157 Cb 0.00 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1shc h ASP 157 CO 0.00 0.01 0.00 -0.81 -1.72 0.00 0.00 179.24 176.72 1shc n PRO 158 N -5.13 -0.24 0.00 3.56 -0.04 -1.26 -2.27 135.00 129.62 1shc n PRO 158 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1shc n PRO 158 Cb 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1shc n PRO 158 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1shc n ASP 159 N -2.43 0.00 0.00 3.54 9.92 -1.26 -1.97 116.55 124.35 1shc n ASP 159 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1shc n ASP 159 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1shc n ASP 159 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1shc n THR 160 N 0.00 0.00 -2.38 -3.53 -2.24 -1.26 -4.65 114.28 100.22 1shc n THR 160 Ca 0.00 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1shc n THR 160 Cb 0.00 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 1shc n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shc n ALA 161 N -1.38 -0.60 0.00 6.98 0.00 -0.83 -4.38 120.51 120.31 1shc n ALA 161 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1shc n ALA 161 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1shc n ALA 161 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1shc n GLU 162 N -2.94 0.00 -1.41 0.00 2.13 -1.25 -4.95 120.64 112.22 1shc n GLU 162 Ca -0.24 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.48 1shc n GLU 162 Cb 0.68 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.44 1shc n GLU 162 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1shc n TYR 163 N 0.00 -3.21 -5.05 4.31 4.01 -1.26 -4.80 117.16 111.17 1shc n TYR 163 Ca 0.00 -0.72 -0.28 0.00 -0.16 0.00 0.00 57.90 56.74 1shc n TYR 163 Cb 0.00 -0.30 -0.16 0.00 -0.31 0.00 0.00 39.34 38.57 1shc n TYR 163 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1shc s VAL 164 N -1.14 1.69 -0.04 -0.72 -7.23 -0.97 -4.55 120.40 107.44 1shc s VAL 164 Ca 0.27 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.55 1shc s VAL 164 Cb -0.02 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.54 1shc s VAL 164 CO 0.18 0.48 -0.04 0.00 -0.31 0.00 0.00 175.10 175.41 1shc s ALA 165 N -0.42 0.59 -0.17 1.32 0.00 -0.81 -2.28 121.76 119.99 1shc s ALA 165 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1shc s ALA 165 Cb -0.09 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 22.75 1shc s ALA 165 CO -0.00 0.01 0.23 1.52 0.00 0.00 0.00 175.76 177.52 1shc s TYR 166 N 0.77 -0.33 -0.10 0.00 1.13 -0.93 -1.65 117.35 116.24 1shc s TYR 166 Ca -0.10 0.49 -0.30 0.00 -1.41 0.00 0.00 57.07 55.76 1shc s TYR 166 Cb -0.13 -0.25 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 1shc s TYR 166 CO -0.00 -0.50 1.21 0.14 -2.51 0.00 0.00 175.55 173.89 1shc s VAL 167 N 2.36 4.29 0.26 -3.49 -7.23 0.83 -2.06 120.40 115.36 1shc s VAL 167 Ca 0.05 1.60 0.03 0.00 -1.81 0.00 0.00 61.98 61.85 1shc s VAL 167 Cb -0.14 -4.03 0.03 0.00 0.56 0.00 0.00 36.38 32.80 1shc s VAL 167 CO -0.11 -0.05 0.27 0.00 -0.31 0.00 0.00 175.10 174.90 1shc n ALA 168 N 5.72 0.47 -3.63 1.32 0.00 -0.86 -2.33 120.51 121.21 1shc n ALA 168 Ca 0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 53.44 52.49 1shc n ALA 168 Cb 0.46 0.36 -0.06 0.00 0.00 0.00 0.00 19.45 20.21 1shc n ALA 168 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1shc s LYS 169 N -3.13 0.31 0.00 0.00 -0.14 -1.26 -2.29 119.74 113.23 1shc s LYS 169 Ca 0.21 0.20 0.00 0.00 -1.36 0.00 0.00 55.97 55.02 1shc s LYS 169 Cb -0.02 0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.28 1shc s LYS 169 CO 0.13 -0.07 0.00 -0.25 -0.76 0.00 0.00 175.35 174.40 1shc n ASP 170 N 1.25 0.00 0.15 2.83 8.00 -1.26 -1.88 116.55 125.64 1shc n ASP 170 Ca -0.08 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.42 1shc n ASP 170 Cb 0.57 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.91 1shc n ASP 170 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1shc h PRO 171 N 0.00 0.00 -4.76 -0.24 0.13 -1.98 -3.46 132.00 121.69 1shc h PRO 171 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 1shc h PRO 171 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1shc h PRO 171 CO 0.00 0.53 -0.56 0.14 -0.23 0.00 0.00 178.00 177.88 1shc s VAL 172 N -3.70 0.07 -0.53 1.56 -7.23 -1.26 -5.03 120.40 104.28 1shc s VAL 172 Ca -0.01 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1shc s VAL 172 Cb 0.13 -2.50 0.45 0.00 0.56 0.00 0.00 36.38 35.02 1shc s VAL 172 CO 0.74 0.00 1.96 0.59 -0.31 0.00 0.00 175.10 178.09 1shc n ASN 173 N -0.85 6.25 -3.99 4.85 3.02 -1.26 -4.85 115.26 118.43 1shc n ASN 173 Ca 0.04 -3.55 -0.31 0.00 -0.03 0.00 0.00 54.58 50.73 1shc n ASN 173 Cb 0.64 -0.94 -0.16 0.00 -0.61 0.00 0.00 39.78 38.72 1shc n ASN 173 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1shc s GLN 174 N -3.21 1.94 0.14 3.52 -0.21 -1.26 -5.09 119.66 115.49 1shc s GLN 174 Ca 0.55 -0.94 -0.34 0.00 0.02 0.00 0.00 55.36 54.65 1shc s GLN 174 Cb 0.44 -2.51 -0.14 0.00 1.00 0.00 0.00 33.01 31.80 1shc s GLN 174 CO 0.02 -0.49 1.58 2.89 -2.12 0.00 0.00 175.29 177.18 1shc n ARG 175 N 4.65 2.07 -3.92 2.91 0.00 -1.26 -4.82 116.66 116.29 1shc n ARG 175 Ca -0.14 0.75 -0.34 0.00 -0.00 0.00 0.00 57.85 58.12 1shc n ARG 175 Cb 0.45 -2.51 -0.14 0.00 -0.00 0.00 0.00 32.46 30.26 1shc n ARG 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1shc s ALA 176 N 1.12 2.91 -0.13 2.89 0.00 -0.97 -2.01 121.76 125.57 1shc s ALA 176 Ca 0.80 -2.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 1shc s ALA 176 Cb -0.70 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1shc s ALA 176 CO 0.40 -1.55 1.97 0.00 0.00 0.00 0.00 175.76 176.58 1shc s HIS 178 N 6.14 3.38 -0.25 0.00 3.76 -0.88 -2.27 115.29 125.18 1shc s HIS 178 Ca 0.89 0.88 -0.06 0.00 -0.15 0.00 0.00 55.06 56.61 1shc s HIS 178 Cb -0.34 -2.74 -0.01 0.00 1.11 0.00 0.00 32.58 30.59 1shc s HIS 178 CO 0.36 -0.13 0.03 0.42 -0.85 0.00 0.00 174.74 174.57 1shc s ILE 179 N 1.73 3.89 0.07 0.60 1.09 -1.26 -2.19 121.20 125.13 1shc s ILE 179 Ca 0.27 -0.39 0.05 0.00 -1.10 0.00 0.00 60.65 59.48 1shc s ILE 179 Cb -0.16 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.37 1shc s ILE 179 CO 0.10 0.32 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.37 1shc s LEU 180 N 1.54 2.28 0.00 2.97 1.02 -0.96 -1.34 118.68 124.19 1shc s LEU 180 Ca 0.05 -0.62 0.08 0.00 0.02 0.00 0.00 54.13 53.66 1shc s LEU 180 Cb -0.15 -0.46 -0.03 0.00 0.02 0.00 0.00 46.19 45.57 1shc s LEU 180 CO 0.01 -0.10 0.28 -1.84 0.02 0.00 0.00 176.35 174.71 1shc n GLU 181 N 1.26 0.42 -3.72 1.70 0.28 -0.90 -2.30 120.64 117.39 1shc n GLU 181 Ca -0.21 -3.38 -0.29 0.00 -0.16 0.00 0.00 57.16 53.12 1shc n GLU 181 Cb 0.54 2.72 0.03 0.00 1.43 0.00 0.00 31.44 36.16 1shc n GLU 181 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1shc h PRO 183 N -1.86 0.01 -3.29 0.00 0.13 -1.92 -3.28 132.00 121.80 1shc h PRO 183 Ca -0.65 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1shc h PRO 183 Cb 1.36 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1shc h PRO 183 CO 0.51 0.95 -0.13 -1.91 -0.23 0.00 0.00 178.00 177.19 1shc n GLU 184 N -3.43 -0.46 -2.64 0.86 2.13 -1.25 -2.14 120.64 113.70 1shc n GLU 184 Ca -0.01 0.80 -0.02 0.00 0.66 0.00 0.00 57.16 58.60 1shc n GLU 184 Cb 0.89 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.96 1shc n GLU 184 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1shc n GLY 185 N 0.04 -1.07 0.00 8.31 0.00 -1.26 -4.69 105.19 106.52 1shc n GLY 185 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1shc n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1shc n LEU 186 N -1.15 0.00 0.00 0.99 4.32 -1.26 -4.77 117.00 115.13 1shc n LEU 186 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 1shc n LEU 186 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1shc n LEU 186 CO 0.39 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.56 1shc n ALA 187 N -3.00 0.00 -0.04 -1.18 0.00 -1.26 -0.23 120.51 114.80 1shc n ALA 187 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1shc n ALA 187 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1shc n ALA 187 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1shc h GLN 188 N 0.00 0.04 -0.65 0.00 4.20 -1.97 -2.54 115.11 114.20 1shc h GLN 188 Ca 0.00 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.69 1shc h GLN 188 Cb 0.00 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1shc h GLN 188 CO 0.00 0.83 0.41 -0.44 -0.67 0.00 0.00 178.83 178.97 1shc h ASP 189 N -0.74 0.69 -0.79 1.46 5.19 -0.97 -1.96 116.42 119.30 1shc h ASP 189 Ca -0.01 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1shc h ASP 189 Cb 0.85 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 1shc h ASP 189 CO 0.01 0.49 0.38 1.62 -3.12 0.00 0.00 179.24 178.62 1shc h VAL 190 N 0.82 1.25 -0.75 -1.35 3.04 -1.56 -1.56 116.25 116.15 1shc h VAL 190 Ca 0.25 -0.70 0.04 0.00 -1.01 0.00 0.00 66.70 65.28 1shc h VAL 190 Cb -0.03 0.25 -0.04 0.00 -2.01 0.00 0.00 31.29 29.45 1shc h VAL 190 CO -0.08 0.30 0.49 0.40 -1.01 0.00 0.00 177.57 177.67 1shc h ILE 191 N 1.12 1.09 -0.02 3.17 1.08 -0.93 -0.23 117.51 122.79 1shc h ILE 191 Ca 0.27 -0.30 -0.09 0.00 -0.39 0.00 0.00 64.86 64.35 1shc h ILE 191 Cb 0.12 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 1shc h ILE 191 CO -0.03 0.16 -0.40 -1.28 -0.69 0.00 0.00 178.15 175.90 1shc h SER 192 N 0.88 0.05 0.40 1.72 0.87 -0.60 -2.54 113.55 114.33 1shc h SER 192 Ca 0.30 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1shc h SER 192 Cb 0.10 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1shc h SER 192 CO -0.09 0.45 -0.19 0.74 -0.53 0.00 0.00 176.83 177.21 1shc h THR 193 N 0.04 0.07 -0.97 2.23 2.02 -0.40 -1.94 112.91 113.95 1shc h THR 193 Ca 0.00 -0.63 0.20 0.00 0.77 0.00 0.00 66.41 66.75 1shc h THR 193 Cb 0.73 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.16 1shc h THR 193 CO 0.05 0.02 0.61 0.40 0.37 0.00 0.00 175.52 176.97 1shc h ILE 194 N -1.13 0.69 -0.51 3.11 2.04 -1.46 0.25 117.51 120.51 1shc h ILE 194 Ca -0.05 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 1shc h ILE 194 Cb 0.44 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1shc h ILE 194 CO 0.09 0.11 -0.15 1.23 0.00 0.00 0.00 178.15 179.44 1shc h GLY 195 N 0.63 1.07 0.00 5.37 0.00 -1.48 -0.79 103.07 107.87 1shc h GLY 195 Ca 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1shc h GLY 195 CO -0.30 0.81 0.00 -1.06 0.00 0.00 0.00 176.54 175.99 1shc n GLN 196 N -4.13 0.00 0.12 4.80 1.13 0.80 -2.16 117.38 117.93 1shc n GLN 196 Ca 0.01 0.44 0.20 0.00 -1.94 0.00 0.00 57.00 55.71 1shc n GLN 196 Cb 0.42 -1.42 0.72 0.00 0.11 0.00 0.00 30.24 30.08 1shc n GLN 196 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1shc h ALA 197 N -1.96 2.04 -0.18 -1.58 0.00 -1.43 -0.85 119.26 115.30 1shc h ALA 197 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1shc h ALA 197 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1shc h ALA 197 CO 0.00 -0.68 0.11 0.74 0.00 0.00 0.00 179.25 179.42 1shc h PHE 198 N 0.00 0.23 -0.57 0.00 -1.00 -0.62 -2.62 116.94 112.37 1shc h PHE 198 Ca 0.18 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.64 1shc h PHE 198 Cb 1.15 -0.08 -0.17 0.00 3.61 0.00 0.00 35.95 40.46 1shc h PHE 198 CO 0.00 0.18 0.40 -1.91 -1.61 0.00 0.00 178.31 175.38 1shc n GLU 199 N -4.94 1.77 -0.03 1.51 2.13 -0.33 -4.48 120.64 116.27 1shc n GLU 199 Ca -0.04 -1.74 -0.01 0.00 0.66 0.00 0.00 57.16 56.03 1shc n GLU 199 Cb 0.05 -1.68 -0.00 0.00 0.27 0.00 0.00 31.44 30.07 1shc n GLU 199 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1shc h LEU 200 N 1.36 0.00 0.00 4.31 -0.00 -1.48 -3.49 115.31 116.01 1shc h LEU 200 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1shc h LEU 200 Cb 1.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 1shc h LEU 200 CO 0.70 0.27 0.00 0.54 -0.00 0.00 0.00 178.44 179.95 1shc n ARG 201 N -3.19 0.00 -2.77 1.13 1.74 -1.26 -4.94 116.66 107.36 1shc n ARG 201 Ca -0.02 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.88 1shc n ARG 201 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 1shc n ARG 201 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1shc n PHE 202 N -0.31 -1.56 -3.73 -1.55 -0.00 -1.26 -1.96 117.46 107.08 1shc n PHE 202 Ca 0.00 0.21 -0.33 0.00 -0.00 0.00 0.00 57.45 57.33 1shc n PHE 202 Cb 0.00 -3.25 0.04 0.00 -0.00 0.00 0.00 39.48 36.27 1shc n PHE 202 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1shc n LYS 203 N -3.28 -1.06 -1.55 -4.13 5.02 -1.26 -4.66 118.16 107.24 1shc n LYS 203 Ca -0.12 0.43 -0.19 0.00 -2.02 0.00 0.00 58.31 56.41 1shc n LYS 203 Cb 0.60 -3.84 -0.09 0.00 -0.02 0.00 0.00 35.03 31.69 1shc n LYS 203 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1shc n GLN 204 N -4.22 0.54 0.10 1.97 7.27 -0.83 -4.70 117.38 117.51 1shc n GLN 204 Ca -0.10 -0.57 -0.03 0.00 0.07 0.00 0.00 57.00 56.37 1shc n GLN 204 Cb 0.59 -3.22 0.01 0.00 2.41 0.00 0.00 30.24 30.03 1shc n GLN 204 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1shc h TYR 205 N 13.57 0.00 -4.93 3.69 -0.00 -1.91 -3.49 116.97 123.90 1shc h TYR 205 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.70 1shc h TYR 205 Cb 1.07 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.72 1shc h TYR 205 CO 1.16 0.78 -1.35 1.28 -0.00 0.00 0.00 178.16 180.03 1shc n LEU 206 N -3.45 -6.23 0.00 0.10 4.77 -1.26 -5.32 117.00 105.61 1shc n LEU 206 Ca 0.00 2.49 0.04 0.00 -0.03 0.00 0.00 56.01 58.52 1shc n LEU 206 Cb 0.79 -3.23 0.26 0.00 -2.33 0.00 0.00 43.42 38.91 1shc n LEU 206 CO 0.44 -3.65 0.49 -1.14 -1.33 0.00 0.00 177.39 172.20