#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kml s ARG 14 N 0.00 3.84 0.44 -0.78 0.52 -1.26 -4.79 118.95 116.92 3kml s ARG 14 Ca 0.00 -2.42 0.24 0.00 -0.52 0.00 0.00 55.73 53.03 3kml s ARG 14 Cb 0.00 -4.77 0.57 0.00 0.52 0.00 0.00 34.95 31.27 3kml s ARG 14 CO 0.00 -1.56 1.69 -0.09 0.02 0.00 0.00 175.30 175.36 3kml h ARG 15 N 7.74 0.00 -0.88 3.54 2.43 -2.01 -3.25 114.38 121.95 3kml h ARG 15 Ca 0.19 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.21 3kml h ARG 15 Cb 0.96 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.42 3kml h ARG 15 CO 1.04 0.10 0.19 0.28 -1.51 0.00 0.00 179.97 180.08 3kml n VAL 16 N -3.15 1.97 0.16 0.20 0.31 -1.26 -1.88 118.33 114.67 3kml n VAL 16 Ca 0.03 -0.98 0.02 0.00 -0.01 0.00 0.00 64.34 63.40 3kml n VAL 16 Cb 0.51 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.90 3kml n VAL 16 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3kml n ASP 17 N -0.04 0.58 -0.05 4.52 8.00 -1.23 -4.18 116.55 124.15 3kml n ASP 17 Ca 0.26 -0.79 -0.16 0.00 0.71 0.00 0.00 54.79 54.81 3kml n ASP 17 Cb 1.00 0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 42.60 3kml n ASP 17 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kml n ASP 18 N -0.61 1.50 -0.01 -2.24 8.00 -0.96 -3.91 116.55 118.32 3kml n ASP 18 Ca 0.01 0.14 -0.05 0.00 0.71 0.00 0.00 54.79 55.60 3kml n ASP 18 Cb 0.07 -0.30 0.16 0.00 -0.02 0.00 0.00 41.12 41.02 3kml n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kml h ALA 19 N 0.40 1.00 -0.60 2.24 0.00 -1.61 -1.06 119.26 119.63 3kml h ALA 19 Ca -0.45 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 3kml h ALA 19 Cb 2.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3kml h ALA 19 CO 0.03 0.59 0.17 1.15 0.00 0.00 0.00 179.25 181.20 3kml h THR 20 N 0.49 1.23 -0.17 0.00 2.02 -1.74 0.11 112.91 114.86 3kml h THR 20 Ca 0.07 -0.82 -0.15 0.00 0.77 0.00 0.00 66.41 66.28 3kml h THR 20 Cb 0.73 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3kml h THR 20 CO 0.06 0.31 -0.51 0.58 0.37 0.00 0.00 175.52 176.33 3kml h VAL 21 N 0.88 1.33 -0.22 3.16 2.07 -1.60 -2.70 116.25 119.16 3kml h VAL 21 Ca 0.19 -1.75 -0.19 0.00 0.82 0.00 0.00 66.70 65.78 3kml h VAL 21 Cb 0.28 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3kml h VAL 21 CO -0.01 0.54 -0.61 0.00 0.02 0.00 0.00 177.57 177.52 3kml h ALA 22 N 1.08 0.51 -0.13 1.67 0.00 -0.60 -0.94 119.26 120.84 3kml h ALA 22 Ca 0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 3kml h ALA 22 Cb 1.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3kml h ALA 22 CO 0.09 0.69 -0.35 0.82 0.00 0.00 0.00 179.25 180.50 3kml h ILE 23 N 0.56 1.29 0.21 0.00 2.04 -0.82 -1.91 117.51 118.88 3kml h ILE 23 Ca -0.00 -1.39 -0.28 0.00 1.00 0.00 0.00 64.86 64.19 3kml h ILE 23 Cb 1.20 1.58 0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3kml h ILE 23 CO 0.13 0.42 -1.24 0.03 0.00 0.00 0.00 178.15 177.48 3kml h ARG 24 N 0.24 0.45 -0.11 2.37 3.08 -1.36 -2.10 114.38 116.95 3kml h ARG 24 Ca 0.03 -0.77 0.02 0.00 0.07 0.00 0.00 59.98 59.33 3kml h ARG 24 Cb 0.74 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3kml h ARG 24 CO 0.06 1.37 0.08 0.00 -1.07 0.00 0.00 179.97 180.40 3kml h ALA 26 N 1.94 0.19 -0.25 0.00 0.00 -1.26 -1.81 119.26 118.07 3kml h ALA 26 Ca 0.05 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 3kml h ALA 26 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kml h ALA 26 CO -0.01 0.61 -0.36 0.82 0.00 0.00 0.00 179.25 180.31 3kml h ILE 27 N 0.35 1.29 -0.27 0.00 2.04 -1.00 -2.65 117.51 117.27 3kml h ILE 27 Ca -0.09 -1.49 -0.12 0.00 1.00 0.00 0.00 64.86 64.17 3kml h ILE 27 Cb 1.49 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 3kml h ILE 27 CO 0.17 0.47 -0.28 0.78 0.00 0.00 0.00 178.15 179.29 3kml h ASN 28 N 0.46 0.72 -0.26 1.72 -0.26 -1.28 -1.88 115.58 114.80 3kml h ASN 28 Ca 0.05 -0.48 -0.02 0.00 -0.56 0.00 0.00 56.30 55.29 3kml h ASN 28 Cb 0.84 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.88 3kml h ASN 28 CO 0.07 1.05 0.11 0.78 -1.06 0.00 0.00 177.43 178.38 3kml h ASN 29 N 0.40 0.40 -0.13 5.81 2.35 -1.27 -1.55 115.58 121.59 3kml h ASN 29 Ca 0.04 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 3kml h ASN 29 Cb 0.85 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.13 3kml h ASN 29 CO 0.07 0.38 -0.57 0.25 -1.65 0.00 0.00 177.43 175.91 3kml h LEU 30 N 0.44 0.73 -0.97 1.61 5.85 -1.39 -3.27 115.31 118.32 3kml h LEU 30 Ca 0.11 -0.62 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 3kml h LEU 30 Cb 0.12 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3kml h LEU 30 CO -0.01 1.24 0.47 0.40 -0.34 0.00 0.00 178.44 180.20 3kml h ILE 31 N 0.28 1.25 -0.93 4.05 2.04 -0.71 -1.81 117.51 121.67 3kml h ILE 31 Ca -0.03 -0.62 0.18 0.00 1.00 0.00 0.00 64.86 65.39 3kml h ILE 31 Cb 1.21 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 3kml h ILE 31 CO 0.12 0.28 0.60 0.58 0.00 0.00 0.00 178.15 179.73 3kml h VAL 32 N 1.20 0.73 0.16 1.67 2.07 -1.35 -0.68 116.25 120.05 3kml h VAL 32 Ca 0.30 -0.20 -0.33 0.00 0.82 0.00 0.00 66.70 67.29 3kml h VAL 32 Cb 0.03 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3kml h VAL 32 CO -0.05 0.11 -1.66 -0.33 0.02 0.00 0.00 177.57 175.66 3kml h GLU 33 N 0.58 0.34 -0.60 1.57 4.39 -1.52 -3.26 114.58 116.09 3kml h GLU 33 Ca 0.50 -0.59 0.10 0.00 0.34 0.00 0.00 59.36 59.71 3kml h GLU 33 Cb 0.98 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 3kml h GLU 33 CO -0.24 1.28 0.40 -0.07 -1.16 0.00 0.00 179.01 179.22 3kml h LEU 34 N -0.02 0.37 -0.42 1.33 3.38 -0.84 -1.49 115.31 117.62 3kml h LEU 34 Ca -0.34 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 3kml h LEU 34 Cb 1.99 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 3kml h LEU 34 CO 0.14 0.22 -0.02 0.40 0.09 0.00 0.00 178.44 179.27 3kml h ILE 35 N 0.41 1.26 0.00 1.22 2.04 -1.24 -2.10 117.51 119.11 3kml h ILE 35 Ca 0.28 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3kml h ILE 35 Cb 0.54 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3kml h ILE 35 CO -0.08 0.36 0.00 0.54 0.00 0.00 0.00 178.15 178.98 3kml n ARG 36 N -4.39 0.04 0.00 2.37 1.74 -0.64 -4.88 116.66 110.90 3kml n ARG 36 Ca -0.01 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3kml n ARG 36 Cb 0.31 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3kml n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kml n GLY 37 N 0.32 2.86 3.46 -0.13 0.00 -0.74 -5.00 105.19 105.96 3kml n GLY 37 Ca 0.05 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.49 3kml n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kml n THR 38 N -0.22 0.02 -0.11 2.61 -2.24 -1.18 -1.87 114.28 111.29 3kml n THR 38 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kml n THR 38 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kml n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kml n GLY 39 N 1.49 0.85 3.59 3.38 0.00 -1.26 -4.62 105.19 108.62 3kml n GLY 39 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3kml n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kml s SER 40 N -2.24 5.47 0.06 1.61 0.01 -0.78 -1.40 113.70 116.42 3kml s SER 40 Ca 0.00 0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.36 3kml s SER 40 Cb 0.00 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 3kml s SER 40 CO 0.00 0.15 -0.22 -0.31 0.41 0.00 0.00 173.24 173.27 3kml s TYR 41 N 0.53 1.92 0.48 2.43 2.02 0.42 -4.90 117.35 120.25 3kml s TYR 41 Ca 0.02 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 3kml s TYR 41 Cb -0.13 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3kml s TYR 41 CO 0.01 0.12 0.16 0.54 -1.57 0.00 0.00 175.55 174.82 3kml s ASN 42 N -1.33 4.32 0.35 2.29 2.20 -1.26 -0.98 114.94 120.54 3kml s ASN 42 Ca 0.08 -1.35 0.16 0.00 -0.94 0.00 0.00 52.86 50.82 3kml s ASN 42 Cb -0.09 0.10 1.12 0.00 -2.00 0.00 0.00 41.25 40.38 3kml s ASN 42 CO 0.02 -0.78 1.66 -0.09 -2.94 0.00 0.00 177.10 174.97 3kml h ARG 43 N 1.26 0.30 0.11 3.55 2.43 -1.78 0.01 114.38 120.27 3kml h ARG 43 Ca -0.42 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 3kml h ARG 43 Cb 1.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3kml h ARG 43 CO 0.69 0.20 -0.06 1.03 -1.51 0.00 0.00 179.97 180.32 3kml h SER 44 N 0.31 -0.13 1.40 -3.80 0.87 -1.92 -2.82 113.55 107.46 3kml h SER 44 Ca 0.74 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.88 3kml h SER 44 Cb 1.75 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 3kml h SER 44 CO -0.58 0.34 -0.21 0.77 -0.53 0.00 0.00 176.83 176.62 3kml h SER 45 N -0.63 0.00 -0.07 6.23 4.64 -1.74 -1.76 113.55 120.21 3kml h SER 45 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3kml h SER 45 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kml h SER 45 CO 0.03 0.21 -0.07 0.15 -0.87 0.00 0.00 176.83 176.27 3kml h PHE 46 N 0.00 0.21 0.00 4.77 3.57 -1.08 -2.53 116.94 121.89 3kml h PHE 46 Ca -0.00 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 3kml h PHE 46 Cb 0.96 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 3kml h PHE 46 CO 0.00 0.62 -0.56 0.93 -2.23 0.00 0.00 178.31 177.07 3kml h GLU 47 N -0.25 0.00 -0.14 1.11 5.08 -1.46 -1.86 114.58 117.06 3kml h GLU 47 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3kml h GLU 47 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kml h GLU 47 CO 0.02 0.56 -0.11 1.03 -1.00 0.00 0.00 179.01 179.51 3kml h SER 48 N 0.00 0.34 0.52 1.42 0.87 -1.32 -2.58 113.55 112.80 3kml h SER 48 Ca -0.01 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3kml h SER 48 Cb 1.17 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 3kml h SER 48 CO 0.07 0.73 -1.18 -1.54 -0.53 0.00 0.00 176.83 174.37 3kml n SER 49 N -4.60 0.57 0.01 6.23 3.41 -0.96 -3.90 113.62 114.38 3kml n SER 49 Ca -0.06 -0.02 -0.07 0.00 -0.26 0.00 0.00 58.87 58.46 3kml n SER 49 Cb 0.33 0.90 -0.13 0.00 -0.26 0.00 0.00 64.21 65.05 3kml n SER 49 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kml h SER 50 N 0.00 0.00 0.00 4.04 4.64 -1.45 -3.48 113.55 117.30 3kml h SER 50 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kml h SER 50 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3kml h SER 50 CO 0.00 0.97 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 3kml n GLY 51 N 1.47 0.98 3.71 -0.77 0.00 -0.97 -4.89 105.19 104.72 3kml n GLY 51 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kml n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kml s LEU 52 N 0.00 4.36 -0.15 0.99 1.43 -1.24 -4.92 118.68 119.15 3kml s LEU 52 Ca 0.00 2.15 -0.01 0.00 -1.03 0.00 0.00 54.13 55.25 3kml s LEU 52 Cb 0.00 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 3kml s LEU 52 CO 0.00 -0.58 -0.12 -0.69 0.23 0.00 0.00 176.35 175.18 3kml s VAL 53 N 1.28 2.96 -0.25 -1.59 1.01 -1.26 -4.70 120.40 117.86 3kml s VAL 53 Ca 0.62 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 3kml s VAL 53 Cb -0.33 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 3kml s VAL 53 CO 0.29 0.50 0.82 0.86 0.00 0.00 0.00 175.10 177.57 3kml s TRP 54 N 0.71 3.29 -0.22 5.22 -0.11 -1.26 -2.25 118.94 124.32 3kml s TRP 54 Ca -0.06 1.07 -0.08 0.00 1.22 0.00 0.00 56.10 58.25 3kml s TRP 54 Cb -0.15 -3.07 -0.04 0.00 -1.50 0.00 0.00 33.47 28.71 3kml s TRP 54 CO 0.02 -0.43 0.09 0.95 -4.62 0.00 0.00 176.95 172.96 3kml s THR 55 N 2.85 4.78 -1.43 5.86 -4.23 -0.85 -5.00 115.64 117.62 3kml s THR 55 Ca 0.34 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.71 3kml s THR 55 Cb -0.15 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.54 3kml s THR 55 CO 0.08 0.38 2.23 -1.54 -0.54 0.00 0.00 174.62 175.24 3kml n SER 56 N 4.26 4.85 -4.77 3.99 3.41 -1.26 -3.35 113.62 120.74 3kml n SER 56 Ca -0.16 -2.89 -0.40 0.00 -0.26 0.00 0.00 58.87 55.16 3kml n SER 56 Cb 0.52 -1.59 0.01 0.00 -0.26 0.00 0.00 64.21 62.89 3kml n SER 56 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kml s GLY 57 N 2.42 2.93 0.79 5.00 0.00 -1.25 -4.99 107.32 112.22 3kml s GLY 57 Ca 0.48 1.49 -0.11 0.00 0.00 0.00 0.00 44.72 46.58 3kml s GLY 57 CO -0.06 2.12 1.09 2.56 0.00 0.00 0.00 173.10 178.81 3kml s PRO 58 N -2.36 2.12 -0.15 2.90 0.04 -1.26 -4.08 135.00 132.21 3kml s PRO 58 Ca 0.59 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 3kml s PRO 58 Cb -0.44 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3kml s PRO 58 CO 0.58 -1.63 -0.24 0.00 0.04 0.00 0.00 177.00 175.74 3kml n ALA 59 N -3.47 0.61 -0.14 8.56 0.00 -1.26 -4.42 120.51 120.38 3kml n ALA 59 Ca 0.07 -0.58 0.05 0.00 0.00 0.00 0.00 53.44 52.99 3kml n ALA 59 Cb 0.55 0.02 0.14 0.00 0.00 0.00 0.00 19.45 20.16 3kml n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kml n GLY 60 N 1.55 2.69 4.00 0.00 0.00 -1.26 -5.00 105.19 107.16 3kml n GLY 60 Ca -0.10 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3kml n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kml s GLU 61 N -1.00 3.03 0.02 1.61 8.01 -1.26 -5.12 118.70 123.99 3kml s GLU 61 Ca 0.21 -1.07 -0.03 0.00 0.01 0.00 0.00 54.97 54.08 3kml s GLU 61 Cb 0.11 -2.80 0.01 0.00 -4.31 0.00 0.00 34.13 27.14 3kml s GLU 61 CO 0.14 -0.05 0.15 0.41 0.01 0.00 0.00 175.26 175.92 3kml n GLY 62 N -1.71 1.02 3.49 -1.39 0.00 -1.26 -3.92 105.19 101.42 3kml n GLY 62 Ca 0.02 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 3kml n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kml s SER 63 N -1.35 -0.42 0.34 1.61 1.04 -1.21 -4.53 113.70 109.18 3kml s SER 63 Ca 0.03 0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.39 3kml s SER 63 Cb -0.00 0.43 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 3kml s SER 63 CO 0.00 -0.68 0.72 -0.31 0.98 0.00 0.00 173.24 173.96 3kml s TYR 64 N -3.06 3.41 -0.31 5.02 2.02 -0.45 -2.01 117.35 121.96 3kml s TYR 64 Ca 0.03 1.11 -0.08 0.00 -0.37 0.00 0.00 57.07 57.76 3kml s TYR 64 Cb -0.01 -2.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.10 3kml s TYR 64 CO -0.09 0.05 0.11 0.45 -1.57 0.00 0.00 175.55 174.51 3kml s SER 65 N -2.58 5.31 -0.23 2.29 0.15 -0.95 -4.96 113.70 112.72 3kml s SER 65 Ca 0.52 -0.77 -0.28 0.00 0.70 0.00 0.00 55.95 56.13 3kml s SER 65 Cb -0.10 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 3kml s SER 65 CO 0.22 -0.23 0.98 -0.63 1.20 0.00 0.00 173.24 174.78 3kml s ILE 66 N 1.51 4.73 -0.19 6.45 1.01 -1.26 -4.25 121.20 129.21 3kml s ILE 66 Ca 0.02 1.90 0.15 0.00 0.00 0.00 0.00 60.65 62.72 3kml s ILE 66 Cb -0.18 -4.25 -0.22 0.00 0.01 0.00 0.00 42.46 37.82 3kml s ILE 66 CO 0.04 -0.14 0.04 0.35 0.00 0.00 0.00 174.94 175.23 3kml n THR 67 N 5.25 1.27 -4.08 2.92 -2.24 -1.26 -4.96 114.28 111.18 3kml n THR 67 Ca 0.10 -0.76 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 3kml n THR 67 Cb 0.47 -0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 68.01 3kml n THR 67 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kml s THR 68 N -2.45 0.39 -0.26 4.28 -4.23 -1.26 -5.05 115.64 107.07 3kml s THR 68 Ca -0.11 -1.45 0.28 0.00 -1.18 0.00 0.00 61.69 59.23 3kml s THR 68 Cb 0.06 -1.04 0.32 0.00 1.34 0.00 0.00 72.50 73.18 3kml s THR 68 CO 0.73 -0.70 1.82 1.55 -0.54 0.00 0.00 174.62 177.49 3kml h PRO 69 N 3.78 0.00 -0.05 3.99 0.13 -2.03 -3.02 132.00 134.80 3kml h PRO 69 Ca -0.34 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 3kml h PRO 69 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kml h PRO 69 CO 0.54 0.00 0.06 0.66 -0.23 0.00 0.00 178.00 179.03 3kml h SER 70 N 0.00 0.00 0.62 1.44 4.64 -2.00 -1.89 113.55 116.36 3kml h SER 70 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kml h SER 70 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3kml h SER 70 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3kml n GLN 71 N -3.77 0.00 0.26 4.77 6.02 -1.14 -3.06 117.38 120.46 3kml n GLN 71 Ca -0.02 0.19 0.14 0.00 -0.01 0.00 0.00 57.00 57.31 3kml n GLN 71 Cb 0.16 -1.50 0.66 0.00 1.02 0.00 0.00 30.24 30.57 3kml n GLN 71 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3kml h PHE 72 N 0.00 0.00 -0.26 1.08 0.04 -1.58 -2.48 116.94 113.73 3kml h PHE 72 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3kml h PHE 72 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3kml h PHE 72 CO 0.00 0.12 0.11 0.28 -0.60 0.00 0.00 178.31 178.21 3kml h VAL 73 N 0.00 1.17 -0.10 -0.55 2.07 -1.77 -2.48 116.25 114.59 3kml h VAL 73 Ca -0.00 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3kml h VAL 73 Cb 0.50 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3kml h VAL 73 CO 0.01 0.17 0.18 -0.26 0.02 0.00 0.00 177.57 177.70 3kml h PHE 74 N 0.28 0.00 -0.49 1.57 0.04 -1.67 -1.16 116.94 115.51 3kml h PHE 74 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3kml h PHE 74 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3kml h PHE 74 CO -0.01 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.98 3kml n LEU 75 N -3.41 3.46 0.00 1.54 4.77 -0.95 -4.69 117.00 117.71 3kml n LEU 75 Ca -0.00 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 3kml n LEU 75 Cb 0.28 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3kml n LEU 75 CO 0.22 0.81 0.00 -1.54 -1.33 0.00 0.00 177.39 175.56 3kml n SER 76 N 1.32 0.00 -3.75 -1.43 3.41 -0.44 -4.72 113.62 108.00 3kml n SER 76 Ca 0.19 -0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 57.56 3kml n SER 76 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3kml n SER 76 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kml n SER 77 N -2.45 5.45 -0.41 4.04 2.88 -1.26 -4.35 113.62 117.51 3kml n SER 77 Ca 0.00 -3.03 0.06 0.00 -1.33 0.00 0.00 58.87 54.57 3kml n SER 77 Cb 0.00 -1.50 0.14 0.00 -0.75 0.00 0.00 64.21 62.09 3kml n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kml n ALA 78 N 3.99 2.34 -2.88 -1.46 0.00 -1.25 -4.23 120.51 117.02 3kml n ALA 78 Ca 0.47 -1.69 -0.32 0.00 0.00 0.00 0.00 53.44 51.90 3kml n ALA 78 Cb 0.34 -0.38 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 3kml n ALA 78 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kml s TRP 79 N -1.83 2.67 0.04 0.00 0.52 0.04 -0.74 118.94 119.64 3kml s TRP 79 Ca 0.23 -0.61 0.06 0.00 0.02 0.00 0.00 56.10 55.81 3kml s TRP 79 Cb 0.17 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.75 3kml s TRP 79 CO 0.07 -0.15 -0.17 0.00 0.02 0.00 0.00 176.95 176.72 3kml s ALA 80 N -0.01 1.47 0.06 0.98 0.00 -0.82 -0.64 121.76 122.79 3kml s ALA 80 Ca -0.05 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.66 3kml s ALA 80 Cb -0.15 -0.27 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 3kml s ALA 80 CO 0.05 0.31 1.73 0.34 0.00 0.00 0.00 175.76 178.19 3kml s ASP 81 N -1.14 6.55 0.50 0.00 2.15 -1.26 -0.72 116.67 122.75 3kml s ASP 81 Ca 0.05 2.54 0.17 0.00 0.43 0.00 0.00 52.55 55.75 3kml s ASP 81 Cb -0.08 -2.56 1.24 0.00 -0.30 0.00 0.00 42.92 41.22 3kml s ASP 81 CO 0.01 -0.94 2.08 -0.65 -0.17 0.00 0.00 175.17 175.51 3kml h PRO 82 N 8.81 0.09 0.01 4.34 0.11 -1.92 -0.43 132.00 143.01 3kml h PRO 82 Ca -0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kml h PRO 82 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kml h PRO 82 CO 0.94 0.06 -0.00 0.82 -0.21 0.00 0.00 178.00 179.60 3kml h ILE 83 N 0.10 1.54 -0.91 4.15 2.04 -1.96 -2.41 117.51 120.04 3kml h ILE 83 Ca 0.11 -2.01 0.16 0.00 1.00 0.00 0.00 64.86 64.12 3kml h ILE 83 Cb 0.33 2.84 -0.08 0.00 -0.74 0.00 0.00 36.82 39.18 3kml h ILE 83 CO -0.01 0.50 0.59 -0.08 0.00 0.00 0.00 178.15 179.14 3kml h GLU 84 N -0.93 0.66 -0.02 2.37 4.81 -1.83 -0.80 114.58 118.85 3kml h GLU 84 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3kml h GLU 84 Cb 0.82 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3kml h GLU 84 CO 0.00 0.43 -0.05 1.25 -0.73 0.00 0.00 179.01 179.92 3kml h LEU 85 N 0.68 0.07 -1.98 1.64 5.85 -1.16 -2.66 115.31 117.74 3kml h LEU 85 Ca 0.47 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3kml h LEU 85 Cb 0.80 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3kml h LEU 85 CO -0.23 0.67 -0.10 -0.29 -0.34 0.00 0.00 178.44 178.15 3kml h ILE 86 N -0.52 0.48 -0.12 4.05 6.09 -1.01 -1.55 117.51 124.94 3kml h ILE 86 Ca -0.00 -0.47 -0.18 0.00 -1.37 0.00 0.00 64.86 62.84 3kml h ILE 86 Cb 0.66 1.31 -0.00 0.00 0.47 0.00 0.00 36.82 39.26 3kml h ILE 86 CO 0.01 0.09 -0.67 0.78 -3.07 0.00 0.00 178.15 175.29 3kml h ASN 87 N 0.00 0.58 -0.90 2.19 2.35 -1.09 -2.24 115.58 116.47 3kml h ASN 87 Ca -0.00 -0.35 0.04 0.00 -0.55 0.00 0.00 56.30 55.44 3kml h ASN 87 Cb 0.31 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 3kml h ASN 87 CO 0.01 1.09 0.58 -0.07 -1.65 0.00 0.00 177.43 177.39 3kml h LEU 88 N 0.35 0.95 -0.64 1.61 3.38 -0.92 -1.39 115.31 118.65 3kml h LEU 88 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3kml h LEU 88 Cb 1.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3kml h LEU 88 CO 0.12 0.64 0.03 0.00 0.09 0.00 0.00 178.44 179.31 3kml h THR 90 N 1.00 1.08 0.00 0.00 2.02 -0.85 -2.99 112.91 113.18 3kml h THR 90 Ca 0.18 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3kml h THR 90 Cb 0.53 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3kml h THR 90 CO 0.03 0.08 -0.23 0.78 0.37 0.00 0.00 175.52 176.54 3kml h ASN 91 N 0.08 0.00 -0.16 4.18 2.35 -1.18 -3.30 115.58 117.55 3kml h ASN 91 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3kml h ASN 91 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3kml h ASN 91 CO -0.01 0.23 0.06 0.00 -1.65 0.00 0.00 177.43 176.07 3kml h ALA 92 N 1.77 0.20 0.00 -0.83 0.00 -0.51 -2.16 119.26 117.73 3kml h ALA 92 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kml h ALA 92 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kml h ALA 92 CO 0.03 -0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.34 3kml n LEU 93 N -4.88 0.39 -2.15 0.00 4.77 -1.17 -1.91 117.00 112.06 3kml n LEU 93 Ca -0.05 0.67 -0.26 0.00 -0.03 0.00 0.00 56.01 56.34 3kml n LEU 93 Cb 0.11 -0.69 0.10 0.00 -2.33 0.00 0.00 43.42 40.61 3kml n LEU 93 CO 0.35 -0.74 1.31 0.61 -1.33 0.00 0.00 177.39 177.58 3kml n GLY 94 N -1.11 4.92 3.42 -0.72 0.00 -0.81 -4.94 105.19 105.94 3kml n GLY 94 Ca -0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 3kml n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kml s ASN 95 N -1.16 3.20 -0.87 1.61 0.01 -0.80 -5.08 114.94 111.85 3kml s ASN 95 Ca 0.53 -0.98 -0.18 0.00 -0.71 0.00 0.00 52.86 51.52 3kml s ASN 95 Cb 0.43 -0.24 0.15 0.00 0.41 0.00 0.00 41.25 42.00 3kml s ASN 95 CO 0.03 -0.01 1.00 -1.10 -1.51 0.00 0.00 177.10 175.52 3kml s GLN 96 N -3.34 3.53 -0.01 -0.60 -1.52 -1.26 -4.85 119.66 111.61 3kml s GLN 96 Ca 0.25 -1.84 0.02 0.00 -1.95 0.00 0.00 55.36 51.85 3kml s GLN 96 Cb -0.04 -4.72 0.07 0.00 -0.22 0.00 0.00 33.01 28.10 3kml s GLN 96 CO 0.11 -1.65 0.97 1.19 -0.25 0.00 0.00 175.29 175.66 3kml n PHE 97 N 6.02 0.13 0.15 0.91 3.72 -1.26 -2.10 117.46 125.02 3kml n PHE 97 Ca 0.18 -0.06 0.02 0.00 -0.05 0.00 0.00 57.45 57.54 3kml n PHE 97 Cb 0.48 -0.03 0.12 0.00 -0.94 0.00 0.00 39.48 39.11 3kml n PHE 97 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3kml h GLN 98 N 0.45 0.00 -6.72 -1.08 1.08 -1.89 -3.41 115.11 103.54 3kml h GLN 98 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 3kml h GLN 98 Cb 0.22 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3kml h GLN 98 CO 0.01 0.53 -0.02 0.95 -0.95 0.00 0.00 178.83 179.35 3kml s THR 99 N -3.17 4.98 -0.06 -0.54 -4.23 -0.89 -5.03 115.64 106.70 3kml s THR 99 Ca 0.02 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.40 3kml s THR 99 Cb 0.09 -3.83 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 3kml s THR 99 CO 0.73 -0.63 0.58 -0.61 -0.54 0.00 0.00 174.62 174.15 3kml h GLN 100 N 0.75 -0.28 -1.10 3.99 5.75 -1.89 -3.25 115.11 119.09 3kml h GLN 100 Ca -0.48 0.02 0.32 0.00 -0.15 0.00 0.00 58.65 58.36 3kml h GLN 100 Cb 1.20 0.06 -0.11 0.00 1.07 0.00 0.00 27.48 29.70 3kml h GLN 100 CO 0.63 -0.02 0.69 0.37 -2.65 0.00 0.00 178.83 177.85 3kml h GLN 101 N -1.01 0.31 0.71 1.69 4.15 -1.96 0.34 115.11 119.34 3kml h GLN 101 Ca -0.03 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 3kml h GLN 101 Cb 0.39 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 3kml h GLN 101 CO 0.05 0.21 -0.44 0.00 -1.93 0.00 0.00 178.83 176.72 3kml h ALA 102 N 1.66 -1.24 -0.39 3.38 0.00 -1.81 -0.44 119.26 120.43 3kml h ALA 102 Ca 0.68 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.48 3kml h ALA 102 Cb 1.77 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 3kml h ALA 102 CO -0.39 -1.20 0.28 0.00 0.00 0.00 0.00 179.25 177.94 3kml h ARG 103 N -1.08 0.00 0.01 0.00 3.08 -0.45 -1.78 114.38 114.16 3kml h ARG 103 Ca -0.10 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.70 3kml h ARG 103 Cb 0.86 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 3kml h ARG 103 CO 0.09 0.00 -1.36 1.15 -1.07 0.00 0.00 179.97 178.78 3kml h THR 104 N 0.00 1.28 0.00 2.04 2.02 -0.86 -3.17 112.91 114.23 3kml h THR 104 Ca 0.18 -3.05 -0.06 0.00 0.77 0.00 0.00 66.41 64.25 3kml h THR 104 Cb 0.74 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 3kml h THR 104 CO -0.00 0.75 -0.38 0.58 0.37 0.00 0.00 175.52 176.83 3kml h VAL 105 N 0.01 1.12 -0.17 3.16 2.07 -0.30 -3.10 116.25 119.05 3kml h VAL 105 Ca -0.15 -1.98 -0.06 0.00 0.82 0.00 0.00 66.70 65.33 3kml h VAL 105 Cb 1.90 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.92 3kml h VAL 105 CO 0.11 0.38 -0.15 -0.37 0.02 0.00 0.00 177.57 177.57 3kml h VAL 106 N -1.00 1.19 -0.60 2.57 -1.51 -1.55 -1.48 116.25 113.87 3kml h VAL 106 Ca -0.09 -0.86 -0.00 0.00 -1.23 0.00 0.00 66.70 64.51 3kml h VAL 106 Cb 0.88 1.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 3kml h VAL 106 CO -0.06 0.27 0.37 -0.61 -1.23 0.00 0.00 177.57 176.31 3kml h GLN 107 N 0.25 0.80 -0.02 5.19 4.15 -1.69 -1.32 115.11 122.48 3kml h GLN 107 Ca 0.05 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3kml h GLN 107 Cb 0.42 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3kml h GLN 107 CO 0.03 0.57 -0.15 -0.09 -1.93 0.00 0.00 178.83 177.25 3kml h ARG 108 N 0.81 0.04 -0.05 1.69 2.43 -1.23 -2.23 114.38 115.83 3kml h ARG 108 Ca 0.22 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 3kml h ARG 108 Cb -0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kml h ARG 108 CO -0.04 0.19 -0.58 1.96 -1.51 0.00 0.00 179.97 179.98 3kml h GLN 109 N 0.04 0.15 -0.12 0.20 4.20 -0.32 -1.24 115.11 118.02 3kml h GLN 109 Ca 0.01 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3kml h GLN 109 Cb 0.29 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3kml h GLN 109 CO 0.02 0.69 0.00 1.19 -0.67 0.00 0.00 178.83 180.06 3kml n PHE 110 N -3.87 0.15 -0.05 2.96 3.72 -0.61 -2.55 117.46 117.21 3kml n PHE 110 Ca -0.02 -0.08 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 3kml n PHE 110 Cb 0.60 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.08 3kml n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kml n SER 111 N -0.05 3.04 0.03 4.37 2.88 -1.01 -4.67 113.62 118.21 3kml n SER 111 Ca 0.14 -0.03 0.12 0.00 -1.33 0.00 0.00 58.87 57.77 3kml n SER 111 Cb 0.23 0.27 0.10 0.00 -0.75 0.00 0.00 64.21 64.06 3kml n SER 111 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3kml n GLU 112 N -2.57 0.22 0.25 -1.46 1.02 -0.50 -4.05 120.64 113.55 3kml n GLU 112 Ca -0.16 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.07 3kml n GLU 112 Cb 0.74 -1.60 0.62 0.00 -0.02 0.00 0.00 31.44 31.18 3kml n GLU 112 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kml h VAL 113 N 0.00 1.02 -3.47 2.62 3.04 -1.73 -3.38 116.25 114.34 3kml h VAL 113 Ca 0.00 -0.07 -0.56 0.00 -1.01 0.00 0.00 66.70 65.06 3kml h VAL 113 Cb 0.68 1.03 -0.07 0.00 -2.01 0.00 0.00 31.29 30.91 3kml h VAL 113 CO 0.00 0.02 0.93 0.26 -1.01 0.00 0.00 177.57 177.77 3kml s TRP 114 N -5.03 2.72 0.35 3.17 0.52 -1.26 -4.40 118.94 115.01 3kml s TRP 114 Ca -0.05 0.55 0.09 0.00 0.02 0.00 0.00 56.10 56.71 3kml s TRP 114 Cb 0.17 -4.45 -0.07 0.00 -1.15 0.00 0.00 33.47 27.97 3kml s TRP 114 CO 0.67 -1.41 -0.07 0.15 0.02 0.00 0.00 176.95 176.31 3kml s LYS 115 N 4.65 1.82 -0.22 4.98 1.02 0.18 -4.65 119.74 127.53 3kml s LYS 115 Ca 0.45 -1.96 -0.21 0.00 0.02 0.00 0.00 55.97 54.27 3kml s LYS 115 Cb -0.07 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 3kml s LYS 115 CO 0.29 0.09 0.64 -1.25 -0.92 0.00 0.00 175.35 174.20 3kml s PRO 116 N -3.64 4.18 -0.23 -1.68 0.04 -1.26 -0.78 135.00 131.62 3kml s PRO 116 Ca 0.33 0.62 0.02 0.00 0.04 0.00 0.00 61.00 62.00 3kml s PRO 116 Cb 0.04 -3.60 -0.19 0.00 0.04 0.00 0.00 34.50 30.79 3kml s PRO 116 CO 0.16 -0.31 -0.11 0.45 0.04 0.00 0.00 177.00 177.24 3kml n SER 117 N 5.30 1.85 -4.72 6.66 2.88 -1.26 -4.95 113.62 119.37 3kml n SER 117 Ca -0.01 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 57.11 3kml n SER 117 Cb 0.49 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.50 3kml n SER 117 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3kml s PRO 118 N -2.52 4.00 0.14 -1.46 0.02 -1.26 -4.66 135.00 129.25 3kml s PRO 118 Ca -0.31 -0.25 0.03 0.00 0.02 0.00 0.00 61.00 60.49 3kml s PRO 118 Cb 0.08 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3kml s PRO 118 CO 0.64 0.37 -0.07 -0.65 -0.33 0.00 0.00 177.00 176.96 3kml s GLN 119 N 0.15 1.00 0.41 5.54 -0.21 -0.57 -4.47 119.66 121.51 3kml s GLN 119 Ca 0.08 -1.43 0.11 0.00 0.02 0.00 0.00 55.36 54.14 3kml s GLN 119 Cb -0.12 -0.43 0.93 0.00 1.00 0.00 0.00 33.01 34.39 3kml s GLN 119 CO -0.01 0.01 1.96 0.28 -2.12 0.00 0.00 175.29 175.42 3kml h VAL 120 N 2.82 0.92 -0.26 1.09 2.07 -1.94 -1.38 116.25 119.57 3kml h VAL 120 Ca -0.36 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3kml h VAL 120 Cb 1.18 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3kml h VAL 120 CO 0.64 0.10 -0.03 0.35 0.02 0.00 0.00 177.57 178.64 3kml n THR 121 N -4.48 2.34 -3.45 2.57 -2.24 -1.26 -1.34 114.28 106.42 3kml n THR 121 Ca 0.11 -2.28 -0.22 0.00 -2.27 0.00 0.00 64.05 59.39 3kml n THR 121 Cb 0.35 -0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.18 3kml n THR 121 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kml s VAL 122 N -3.00 -0.24 0.47 2.28 1.01 -0.52 -4.73 120.40 115.67 3kml s VAL 122 Ca 0.42 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 3kml s VAL 122 Cb 0.36 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 3kml s VAL 122 CO 0.04 -0.61 1.36 -0.60 0.00 0.00 0.00 175.10 175.30 3kml s ARG 123 N 2.10 3.61 0.24 2.72 3.52 -1.26 -1.51 118.95 128.36 3kml s ARG 123 Ca 0.10 2.27 -0.27 0.00 -0.13 0.00 0.00 55.73 57.70 3kml s ARG 123 Cb -0.15 -2.56 -0.16 0.00 -1.56 0.00 0.00 34.95 30.52 3kml s ARG 123 CO -0.30 -0.83 0.58 0.34 -0.81 0.00 0.00 175.30 174.28 3kml n PHE 124 N -0.36 -0.29 -1.52 5.12 -0.00 -1.26 -4.78 117.46 114.36 3kml n PHE 124 Ca 0.06 0.89 -0.39 0.00 -0.00 0.00 0.00 57.45 58.01 3kml n PHE 124 Cb 0.43 -2.00 0.03 0.00 -0.00 0.00 0.00 39.48 37.94 3kml n PHE 124 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3kml n PRO 125 N 0.96 0.77 0.39 -7.13 -0.04 -1.26 -4.84 135.00 123.83 3kml n PRO 125 Ca 0.16 0.29 -0.18 0.00 -0.04 0.00 0.00 63.50 63.73 3kml n PRO 125 Cb 0.28 -1.83 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 3kml n PRO 125 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3kml h ASP 126 N 0.64 -0.81 0.00 3.54 3.58 -2.02 -3.35 116.42 118.00 3kml h ASP 126 Ca -0.45 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.02 3kml h ASP 126 Cb 1.38 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.64 3kml h ASP 126 CO 0.50 -0.56 -0.94 -1.54 -2.88 0.00 0.00 179.24 173.82 3kml n SER 127 N -5.49 4.71 -4.67 2.28 3.41 -1.26 -4.56 113.62 108.04 3kml n SER 127 Ca -0.14 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.18 3kml n SER 127 Cb 0.39 0.80 0.16 0.00 -0.26 0.00 0.00 64.21 65.30 3kml n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kml s ASP 128 N -2.19 2.98 0.31 4.04 1.01 -1.26 -4.93 116.67 116.63 3kml s ASP 128 Ca 0.00 1.56 0.08 0.00 0.71 0.00 0.00 52.55 54.90 3kml s ASP 128 Cb 0.00 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 3kml s ASP 128 CO 0.00 -2.96 0.23 -0.36 0.21 0.00 0.00 175.17 172.29 3kml s PHE 129 N -2.83 2.91 0.05 4.23 0.40 -1.26 -4.43 117.98 117.04 3kml s PHE 129 Ca 0.65 -0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.65 3kml s PHE 129 Cb -0.20 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 3kml s PHE 129 CO 0.58 0.31 0.10 0.15 0.70 0.00 0.00 175.22 177.06 3kml s LYS 130 N -3.92 0.63 -0.15 0.44 -0.14 -0.15 -4.57 119.74 111.87 3kml s LYS 130 Ca 0.38 -0.81 -0.05 0.00 -1.36 0.00 0.00 55.97 54.13 3kml s LYS 130 Cb -0.06 0.25 -0.03 0.00 -1.68 0.00 0.00 37.83 36.31 3kml s LYS 130 CO 0.25 -0.16 0.01 0.08 -0.76 0.00 0.00 175.35 174.77 3kml s VAL 131 N -2.87 4.31 -0.39 3.17 1.01 0.10 -0.43 120.40 125.30 3kml s VAL 131 Ca -0.03 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 3kml s VAL 131 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3kml s VAL 131 CO -0.06 0.50 0.40 -0.47 0.00 0.00 0.00 175.10 175.47 3kml s TYR 132 N 0.15 3.19 0.46 5.22 5.04 -0.50 -1.95 117.35 128.96 3kml s TYR 132 Ca 0.01 -0.24 0.24 0.00 -2.44 0.00 0.00 57.07 54.64 3kml s TYR 132 Cb -0.13 -2.79 1.25 0.00 0.35 0.00 0.00 41.96 40.64 3kml s TYR 132 CO 0.02 -0.59 1.83 -0.09 -1.34 0.00 0.00 175.55 175.39 3kml h ARG 133 N 8.61 0.25 -0.51 4.97 9.65 -1.28 -1.39 114.38 134.68 3kml h ARG 133 Ca -0.28 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3kml h ARG 133 Cb 1.12 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3kml h ARG 133 CO 0.75 0.16 0.00 0.66 2.80 0.00 0.00 179.97 184.34 3kml n TYR 134 N -4.44 0.68 -1.54 2.20 4.01 -1.26 -3.97 117.16 112.84 3kml n TYR 134 Ca 0.21 -0.50 -0.49 0.00 -0.16 0.00 0.00 57.90 56.97 3kml n TYR 134 Cb 0.88 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.86 3kml n TYR 134 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kml n ASN 135 N 1.00 0.71 -0.30 7.72 5.15 -0.52 -4.71 115.26 124.31 3kml n ASN 135 Ca 0.17 1.15 0.24 0.00 -0.60 0.00 0.00 54.58 55.54 3kml n ASN 135 Cb 0.51 -1.15 0.55 0.00 -0.53 0.00 0.00 39.78 39.15 3kml n ASN 135 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kml h ALA 136 N 2.57 2.36 0.04 5.20 0.00 -1.93 -0.03 119.26 127.46 3kml h ALA 136 Ca -0.40 0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.19 3kml h ALA 136 Cb 1.37 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3kml h ALA 136 CO 0.65 -0.72 -2.10 0.28 0.00 0.00 0.00 179.25 177.36 3kml n VAL 137 N -4.53 1.59 0.09 0.00 0.31 -1.26 -4.32 118.33 110.21 3kml n VAL 137 Ca 0.23 -0.72 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 3kml n VAL 137 Cb 0.88 -1.21 -0.05 0.00 -0.91 0.00 0.00 33.84 32.56 3kml n VAL 137 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kml h LEU 138 N 0.02 0.00 -0.06 7.52 3.38 -1.79 -3.38 115.31 121.01 3kml h LEU 138 Ca -0.44 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.57 3kml h LEU 138 Cb 2.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.74 3kml h LEU 138 CO 0.04 0.86 -0.27 -0.78 0.09 0.00 0.00 178.44 178.38 3kml h ASP 139 N 0.00 -0.80 -0.07 -0.43 1.82 -1.14 0.38 116.42 116.18 3kml h ASP 139 Ca -0.01 0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.71 3kml h ASP 139 Cb 1.60 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 41.94 3kml h ASP 139 CO 0.11 -0.32 -0.05 -0.65 -1.61 0.00 0.00 179.24 176.71 3kml h PRO 140 N -0.37 0.30 -0.09 0.28 0.11 -1.81 -2.04 132.00 128.37 3kml h PRO 140 Ca 0.08 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 3kml h PRO 140 Cb 0.49 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.56 3kml h PRO 140 CO -0.27 0.37 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.34 3kml h LEU 141 N 0.29 0.58 -1.23 2.35 3.38 -1.38 -1.23 115.31 118.06 3kml h LEU 141 Ca 0.06 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 3kml h LEU 141 Cb 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3kml h LEU 141 CO 0.01 1.13 -0.25 0.58 0.09 0.00 0.00 178.44 180.00 3kml h VAL 142 N 0.06 0.68 0.12 1.22 2.07 -0.90 -2.17 116.25 117.34 3kml h VAL 142 Ca -0.03 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3kml h VAL 142 Cb 1.13 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3kml h VAL 142 CO 0.10 0.25 -0.06 0.74 0.02 0.00 0.00 177.57 178.62 3kml h THR 143 N 0.00 0.00 -0.96 2.57 2.02 -1.29 -2.66 112.91 112.59 3kml h THR 143 Ca -0.00 -0.11 0.31 0.00 0.77 0.00 0.00 66.41 67.38 3kml h THR 143 Cb 0.70 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.95 3kml h THR 143 CO 0.03 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.26 3kml h ALA 144 N -1.82 1.63 0.74 6.16 0.00 -1.22 0.58 119.26 125.33 3kml h ALA 144 Ca -0.02 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kml h ALA 144 Cb 0.12 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kml h ALA 144 CO 0.03 -0.65 -0.36 1.25 0.00 0.00 0.00 179.25 179.52 3kml h LEU 145 N 0.12 -0.84 -2.06 0.00 5.85 -1.48 0.60 115.31 117.51 3kml h LEU 145 Ca 0.68 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.51 3kml h LEU 145 Cb 1.57 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 3kml h LEU 145 CO -0.74 -0.60 0.23 -0.07 -0.34 0.00 0.00 178.44 176.92 3kml h LEU 146 N -1.01 0.00 0.00 2.25 3.38 -0.58 -1.47 115.31 117.88 3kml h LEU 146 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kml h LEU 146 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3kml h LEU 146 CO 0.17 0.00 -0.73 1.23 0.09 0.00 0.00 178.44 179.20 3kml h GLY 147 N 0.00 0.00 2.00 0.83 0.00 -0.70 -3.26 103.07 101.94 3kml h GLY 147 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3kml h GLY 147 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3kml h ALA 148 N 2.00 1.00 0.00 3.60 0.00 0.22 -2.77 119.26 123.31 3kml h ALA 148 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kml h ALA 148 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kml h ALA 148 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 3kml n PHE 149 N -2.96 0.62 -2.72 0.00 3.72 -1.15 -4.48 117.46 110.48 3kml n PHE 149 Ca 0.04 0.22 -0.43 0.00 -0.05 0.00 0.00 57.45 57.22 3kml n PHE 149 Cb 0.47 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 3kml n PHE 149 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3kml n ASP 150 N -2.04 5.21 -4.20 4.37 -0.08 -1.05 -4.81 116.55 113.95 3kml n ASP 150 Ca 0.04 -3.04 -0.18 0.00 -1.51 0.00 0.00 54.79 50.09 3kml n ASP 150 Cb 0.29 -1.52 -0.12 0.00 2.34 0.00 0.00 41.12 42.11 3kml n ASP 150 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3kml s THR 151 N 0.93 1.20 -0.05 5.18 2.01 -1.26 -5.08 115.64 118.56 3kml s THR 151 Ca 0.41 -1.46 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 3kml s THR 151 Cb 0.02 -1.25 -0.06 0.00 0.01 0.00 0.00 72.50 71.21 3kml s THR 151 CO 0.00 -0.29 0.46 -0.09 -0.69 0.00 0.00 174.62 174.02 3kml h ARG 152 N 4.01 -0.37 -0.02 4.92 2.43 -1.99 -3.51 114.38 119.84 3kml h ARG 152 Ca -0.41 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3kml h ARG 152 Cb 1.19 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3kml h ARG 152 CO 0.44 -0.24 0.00 0.09 -1.51 0.00 0.00 179.97 178.75