#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x8n s GLU 2 N 0.00 3.38 0.15 0.03 2.02 -1.26 -4.94 118.70 118.08 2x8n s GLU 2 Ca 0.00 -1.49 0.08 0.00 0.02 0.00 0.00 54.97 53.58 2x8n s GLU 2 Cb 0.00 -5.39 -0.04 0.00 0.10 0.00 0.00 34.13 28.80 2x8n s GLU 2 CO 0.00 -2.85 -0.06 0.14 0.02 0.00 0.00 175.26 172.51 2x8n s VAL 3 N 6.81 3.44 -0.49 2.63 -7.23 -1.26 -5.11 120.40 119.19 2x8n s VAL 3 Ca 0.58 -1.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 2x8n s VAL 3 Cb 0.01 -2.68 0.12 0.00 0.56 0.00 0.00 36.38 34.39 2x8n s VAL 3 CO 0.06 -0.03 0.40 -0.44 -0.31 0.00 0.00 175.10 174.78 2x8n s SER 4 N -2.65 5.89 0.48 4.85 0.01 -1.26 -4.95 113.70 116.07 2x8n s SER 4 Ca 0.25 -1.84 0.26 0.00 1.31 0.00 0.00 55.95 55.93 2x8n s SER 4 Cb -0.10 -2.09 1.21 0.00 0.21 0.00 0.00 66.02 65.25 2x8n s SER 4 CO 0.16 -0.75 1.95 0.00 0.41 0.00 0.00 173.24 175.02 2x8n h ALA 5 N 8.61 1.14 -0.41 1.44 0.00 -1.99 -3.10 119.26 124.95 2x8n h ALA 5 Ca -0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2x8n h ALA 5 Cb 1.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2x8n h ALA 5 CO 0.92 0.21 0.16 -2.95 0.00 0.00 0.00 179.25 177.60 2x8n h ASN 6 N 0.00 0.56 1.47 0.00 -1.07 -1.98 0.81 115.58 115.38 2x8n h ASN 6 Ca -0.00 -0.17 -0.10 0.00 0.07 0.00 0.00 56.30 56.11 2x8n h ASN 6 Cb 0.54 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 36.63 2x8n h ASN 6 CO 0.02 0.57 -0.46 1.05 0.07 0.00 0.00 177.43 178.68 2x8n h GLU 7 N 0.52 0.00 0.00 4.14 4.11 -2.00 -2.84 114.58 118.51 2x8n h GLU 7 Ca 0.14 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.47 2x8n h GLU 7 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2x8n h GLU 7 CO -0.01 0.46 -0.45 1.25 0.07 0.00 0.00 179.01 180.33 2x8n h LEU 8 N 0.00 0.00 0.39 3.06 7.12 -1.45 -3.47 115.31 120.96 2x8n h LEU 8 Ca -0.00 0.00 -0.37 0.00 0.13 0.00 0.00 57.88 57.64 2x8n h LEU 8 Cb 1.32 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.32 2x8n h LEU 8 CO 0.06 0.45 -0.54 -1.84 -0.13 0.00 0.00 178.44 176.44 2x8n n GLU 9 N -3.45 -2.73 0.27 1.25 0.28 0.27 -4.85 120.64 111.67 2x8n n GLU 9 Ca 0.00 0.32 0.11 0.00 -0.16 0.00 0.00 57.16 57.43 2x8n n GLU 9 Cb 0.59 -4.96 0.72 0.00 1.43 0.00 0.00 31.44 29.22 2x8n n GLU 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x8n h ALA 10 N 0.95 1.61 -0.55 -1.84 0.00 -1.88 -1.62 119.26 115.93 2x8n h ALA 10 Ca -0.39 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2x8n h ALA 10 Cb 1.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2x8n h ALA 10 CO 0.52 0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.96 2x8n h ALA 11 N 1.93 1.15 0.32 0.00 0.00 -1.89 0.38 119.26 121.16 2x8n h ALA 11 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2x8n h ALA 11 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2x8n h ALA 11 CO 0.01 0.57 -0.16 0.77 0.00 0.00 0.00 179.25 180.44 2x8n h SER 12 N 0.82 -0.37 -0.28 0.00 0.02 -1.68 -2.13 113.55 109.93 2x8n h SER 12 Ca 0.18 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2x8n h SER 12 Cb 0.35 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2x8n h SER 12 CO 0.00 -0.21 -0.01 -1.28 -1.14 0.00 0.00 176.83 174.19 2x8n h SER 13 N -0.50 0.59 -0.05 3.07 0.87 -1.53 -2.81 113.55 113.19 2x8n h SER 13 Ca -0.04 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2x8n h SER 13 Cb 0.38 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2x8n h SER 13 CO 0.07 0.67 0.03 -0.09 -0.53 0.00 0.00 176.83 176.98 2x8n h ARG 14 N 0.59 0.06 -0.46 2.24 9.65 -0.78 -1.49 114.38 124.18 2x8n h ARG 14 Ca 0.12 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.00 2x8n h ARG 14 Cb 0.39 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 2x8n h ARG 14 CO 0.02 0.05 0.30 0.52 2.80 0.00 0.00 179.97 183.66 2x8n h MET 15 N 0.06 0.60 -0.30 0.20 2.86 -1.22 -0.46 114.93 116.67 2x8n h MET 15 Ca 0.02 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2x8n h MET 15 Cb -0.00 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 2x8n h MET 15 CO -0.00 0.40 0.03 0.93 1.06 0.00 0.00 176.91 179.33 2x8n h GLU 16 N 0.62 0.13 -0.41 1.72 4.39 -1.31 -1.45 114.58 118.26 2x8n h GLU 16 Ca 0.17 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.87 2x8n h GLU 16 Cb -0.07 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2x8n h GLU 16 CO -0.04 0.08 0.26 0.52 -1.16 0.00 0.00 179.01 178.68 2x8n h MET 17 N 0.13 0.52 -0.18 2.33 2.86 -0.92 -2.85 114.93 116.82 2x8n h MET 17 Ca 0.14 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2x8n h MET 17 Cb 0.17 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2x8n h MET 17 CO -0.21 0.34 -0.09 -0.07 1.06 0.00 0.00 176.91 177.95 2x8n h LEU 18 N 0.53 0.26 0.20 1.22 3.38 -0.65 0.18 115.31 120.43 2x8n h LEU 18 Ca 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2x8n h LEU 18 Cb -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2x8n h LEU 18 CO -0.05 0.38 -0.10 1.56 0.09 0.00 0.00 178.44 180.33 2x8n h GLN 19 N 0.27 -0.26 0.00 1.13 4.20 -1.05 -2.49 115.11 116.91 2x8n h GLN 19 Ca 0.06 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2x8n h GLN 19 Cb 0.33 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2x8n h GLN 19 CO 0.02 -0.11 -0.09 2.89 -0.67 0.00 0.00 178.83 180.87 2x8n n ARG 20 N -5.17 0.12 -0.07 1.46 1.85 -1.04 -3.51 116.66 110.30 2x8n n ARG 20 Ca -0.09 0.09 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2x8n n ARG 20 Cb 0.16 -1.63 -0.10 0.00 -1.05 0.00 0.00 32.46 29.84 2x8n n ARG 20 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2x8n h GLU 21 N 0.00 0.00 0.00 2.89 4.57 -0.56 -3.46 114.58 118.02 2x8n h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2x8n h GLU 21 Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2x8n h GLU 21 CO 0.00 0.81 0.00 0.66 -1.18 0.00 0.00 179.01 179.30 2x8n n TYR 22 N -4.61 0.00 -3.55 0.92 4.02 -0.95 -5.07 117.16 107.92 2x8n n TYR 22 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.70 2x8n n TYR 22 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 2x8n n TYR 22 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2x8n s SER 23 N -0.01 -0.32 0.01 7.72 0.15 -1.23 -5.03 113.70 114.99 2x8n s SER 23 Ca 0.00 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.61 2x8n s SER 23 Cb 0.00 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 2x8n s SER 23 CO 0.00 -0.63 -0.02 0.42 1.20 0.00 0.00 173.24 174.21 2x8n s THR 24 N -3.09 3.97 -0.17 6.45 -4.23 -1.26 -4.64 115.64 112.67 2x8n s THR 24 Ca 0.06 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 59.58 2x8n s THR 24 Cb -0.01 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 2x8n s THR 24 CO -0.07 0.36 1.23 -0.22 -0.54 0.00 0.00 174.62 175.38 2x8n s LEU 25 N -1.59 4.17 -0.11 4.79 2.96 -0.48 -1.22 118.68 127.20 2x8n s LEU 25 Ca 0.19 1.65 -0.10 0.00 -0.22 0.00 0.00 54.13 55.66 2x8n s LEU 25 Cb -0.11 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.77 2x8n s LEU 25 CO 0.10 -0.75 0.44 0.08 -1.32 0.00 0.00 176.35 174.90 2x8n h ARG 26 N 8.10 0.27 -3.40 1.98 0.11 -1.65 -3.47 114.38 116.33 2x8n h ARG 26 Ca -0.25 -0.47 -0.08 0.00 0.10 0.00 0.00 59.98 59.28 2x8n h ARG 26 Cb 1.10 0.17 -0.16 0.00 1.11 0.00 0.00 29.97 32.19 2x8n h ARG 26 CO 0.97 1.22 -0.24 -1.12 0.10 0.00 0.00 179.97 180.91 2x8n s SER 27 N -7.09 -0.10 -0.02 0.08 0.01 -0.96 -5.01 113.70 100.61 2x8n s SER 27 Ca -0.21 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2x8n s SER 27 Cb 0.06 0.38 0.01 0.00 0.21 0.00 0.00 66.02 66.67 2x8n s SER 27 CO 0.77 -0.67 -0.05 -0.69 0.41 0.00 0.00 173.24 173.01 2x8n s VAL 28 N -2.98 0.46 -0.21 3.43 1.01 -1.26 -0.83 120.40 120.02 2x8n s VAL 28 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2x8n s VAL 28 Cb 0.01 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 36.02 2x8n s VAL 28 CO -0.06 0.16 0.02 0.00 0.00 0.00 0.00 175.10 175.22 2x8n s GLN 29 N 0.28 0.88 -0.65 2.72 -2.07 -0.47 -5.00 119.66 115.36 2x8n s GLN 29 Ca -0.03 -0.60 -0.27 0.00 -1.82 0.00 0.00 55.36 52.64 2x8n s GLN 29 Cb -0.07 -2.22 0.00 0.00 -1.09 0.00 0.00 33.01 29.63 2x8n s GLN 29 CO -0.00 -0.66 1.60 -0.47 -1.32 0.00 0.00 175.29 174.44 2x8n s TYR 30 N 1.73 1.95 -0.76 9.60 6.14 -1.26 -1.63 117.35 133.13 2x8n s TYR 30 Ca -0.01 0.44 -0.24 0.00 0.64 0.00 0.00 57.07 57.89 2x8n s TYR 30 Cb -0.18 -4.32 0.05 0.00 0.42 0.00 0.00 41.96 37.94 2x8n s TYR 30 CO -0.09 -2.20 1.18 1.03 0.64 0.00 0.00 175.55 176.11 2x8n s ARG 31 N 6.39 3.24 0.50 4.97 0.52 -0.45 -4.87 118.95 129.26 2x8n s ARG 31 Ca 0.54 -0.66 0.22 0.00 -0.52 0.00 0.00 55.73 55.31 2x8n s ARG 31 Cb -0.11 -4.40 1.32 0.00 0.52 0.00 0.00 34.95 32.28 2x8n s ARG 31 CO 0.19 -2.02 2.07 0.66 0.02 0.00 0.00 175.30 176.22 2x8n h SER 32 N 9.76 0.00 -0.74 0.23 4.64 -1.93 0.37 113.55 125.87 2x8n h SER 32 Ca -0.19 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.24 2x8n h SER 32 Cb 1.05 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 2x8n h SER 32 CO 1.25 0.12 0.36 -0.08 -0.87 0.00 0.00 176.83 177.61 2x8n h GLU 33 N 0.00 0.56 0.00 4.77 4.81 -1.95 -2.67 114.58 120.10 2x8n h GLU 33 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2x8n h GLU 33 Cb 0.27 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2x8n h GLU 33 CO 0.02 0.37 -1.11 0.39 -0.73 0.00 0.00 179.01 177.95 2x8n n GLU 34 N -4.89 0.19 -2.17 1.92 -0.58 -0.73 -4.98 120.64 109.40 2x8n n GLU 34 Ca 0.13 -0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.65 2x8n n GLU 34 Cb 0.33 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.64 2x8n n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x8n n GLY 35 N 1.42 0.09 3.33 0.62 0.00 0.12 -5.01 105.19 105.77 2x8n n GLY 35 Ca 0.02 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2x8n n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x8n s VAL 36 N -2.85 1.80 -0.37 1.61 -7.23 -0.89 -4.40 120.40 108.06 2x8n s VAL 36 Ca 0.00 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 2x8n s VAL 36 Cb 0.00 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.13 2x8n s VAL 36 CO 0.00 -0.30 0.50 -0.63 -0.31 0.00 0.00 175.10 174.36 2x8n s ILE 37 N -1.98 5.02 -0.20 -0.62 1.01 0.14 -1.34 121.20 123.24 2x8n s ILE 37 Ca 0.15 0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 2x8n s ILE 37 Cb -0.06 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2x8n s ILE 37 CO 0.06 -0.29 0.33 -0.69 0.00 0.00 0.00 174.94 174.35 2x8n s VAL 38 N 2.36 5.25 -0.58 2.92 1.01 -0.64 -2.57 120.40 128.15 2x8n s VAL 38 Ca 0.17 0.57 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 2x8n s VAL 38 Cb -0.16 -3.66 0.15 0.00 0.00 0.00 0.00 36.38 32.71 2x8n s VAL 38 CO 0.14 0.30 0.47 -0.36 0.00 0.00 0.00 175.10 175.64 2x8n s PHE 39 N 1.10 3.48 -0.39 5.22 0.08 0.02 -1.37 117.98 126.12 2x8n s PHE 39 Ca 0.16 -1.99 -0.29 0.00 0.12 0.00 0.00 56.93 54.93 2x8n s PHE 39 Cb -0.14 -3.54 0.02 0.00 -0.57 0.00 0.00 43.02 38.78 2x8n s PHE 39 CO 0.06 -0.97 1.17 0.42 -0.10 0.00 0.00 175.22 175.81 2x8n s ILE 40 N 0.87 4.27 0.89 0.64 1.01 -0.01 -1.27 121.20 127.60 2x8n s ILE 40 Ca 0.10 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 62.01 2x8n s ILE 40 Cb -0.22 -4.43 0.12 0.00 0.01 0.00 0.00 42.46 37.95 2x8n s ILE 40 CO -0.03 -0.72 1.11 -0.76 0.00 0.00 0.00 174.94 174.54 2x8n s LEU 41 N 4.27 2.16 0.49 2.97 1.43 -0.58 -2.08 118.68 127.34 2x8n s LEU 41 Ca 0.50 1.23 0.25 0.00 -1.03 0.00 0.00 54.13 55.07 2x8n s LEU 41 Cb -0.11 -3.63 1.28 0.00 0.03 0.00 0.00 46.19 43.76 2x8n s LEU 41 CO 0.25 -2.51 2.01 0.00 0.23 0.00 0.00 176.35 176.33 2x8n h ALA 42 N -1.46 1.28 -0.09 4.21 0.00 -1.51 -0.05 119.26 121.63 2x8n h ALA 42 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2x8n h ALA 42 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2x8n h ALA 42 CO 0.59 0.20 0.00 0.27 0.00 0.00 0.00 179.25 180.31 2x8n n ASN 43 N -3.68 1.14 -0.59 0.00 0.23 -1.26 -4.93 115.26 106.16 2x8n n ASN 43 Ca -0.02 -1.57 -0.07 0.00 -0.53 0.00 0.00 54.58 52.39 2x8n n ASN 43 Cb 0.28 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.89 2x8n n ASN 43 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2x8n n ASP 44 N -0.05 -3.84 -4.62 0.53 9.92 -0.03 -5.01 116.55 113.45 2x8n n ASP 44 Ca 0.16 0.18 -0.43 0.00 -0.53 0.00 0.00 54.79 54.17 2x8n n ASP 44 Cb 0.26 -2.06 -0.02 0.00 -0.64 0.00 0.00 41.12 38.66 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2x8n s ARG 45 N -2.72 3.83 -0.72 -1.24 3.52 -1.26 -4.74 118.95 115.62 2x8n s ARG 45 Ca 0.00 0.94 -0.23 0.00 -0.13 0.00 0.00 55.73 56.32 2x8n s ARG 45 Cb 0.00 -3.88 0.07 0.00 -1.56 0.00 0.00 34.95 29.58 2x8n s ARG 45 CO 0.00 -1.23 1.04 -1.21 -0.81 0.00 0.00 175.30 173.10 2x8n s GLU 46 N 4.27 3.21 -0.43 5.12 2.02 -1.26 -1.53 118.70 130.09 2x8n s GLU 46 Ca 0.52 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 2x8n s GLU 46 Cb -0.12 -4.37 0.03 0.00 0.10 0.00 0.00 34.13 29.76 2x8n s GLU 46 CO 0.26 -1.87 1.11 -0.51 0.02 0.00 0.00 175.26 174.27 2x8n s LEU 47 N 4.10 3.73 -0.37 1.80 1.43 -0.40 -4.83 118.68 124.14 2x8n s LEU 47 Ca 0.26 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 2x8n s LEU 47 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2x8n s LEU 47 CO 0.07 -1.15 0.26 -0.75 0.23 0.00 0.00 176.35 175.01 2x8n s LYS 48 N 4.22 3.22 0.02 1.70 2.20 -1.26 -0.80 119.74 129.03 2x8n s LYS 48 Ca 0.47 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2x8n s LYS 48 Cb -0.09 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 2x8n s LYS 48 CO 0.27 -0.59 -0.04 -0.06 -0.36 0.00 0.00 175.35 174.58 2x8n s PHE 49 N 1.68 0.35 0.53 4.03 0.08 -1.06 -5.04 117.98 118.55 2x8n s PHE 49 Ca 0.05 -0.31 -0.16 0.00 0.12 0.00 0.00 56.93 56.64 2x8n s PHE 49 Cb -0.18 -0.22 -0.07 0.00 -0.57 0.00 0.00 43.02 41.97 2x8n s PHE 49 CO 0.10 -0.08 0.99 1.03 -0.10 0.00 0.00 175.22 177.15 2x8n s ARG 50 N -0.89 3.89 0.31 0.44 3.00 -1.26 -0.68 118.95 123.77 2x8n s ARG 50 Ca -0.07 0.91 0.08 0.00 0.00 0.00 0.00 55.73 56.65 2x8n s ARG 50 Cb -0.06 -2.13 0.84 0.00 0.00 0.00 0.00 34.95 33.60 2x8n s ARG 50 CO -0.00 -0.31 1.74 -1.35 0.00 0.00 0.00 175.30 175.38 2x8n h PRO 51 N 0.73 0.62 0.00 3.54 0.11 -1.84 -1.86 132.00 133.30 2x8n h PRO 51 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2x8n h PRO 51 Cb 1.19 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2x8n h PRO 51 CO 0.62 0.41 -0.16 -0.44 -0.21 0.00 0.00 178.00 178.21 2x8n h ASP 52 N 0.64 0.00 -0.08 -2.05 3.32 -1.94 -2.28 116.42 114.02 2x8n h ASP 52 Ca 0.63 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.50 2x8n h ASP 52 Cb 1.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 2x8n h ASP 52 CO -0.45 0.16 -0.55 0.44 -1.72 0.00 0.00 179.24 177.12 2x8n h ASP 53 N 0.00 0.75 -3.03 6.45 5.19 -1.69 -3.45 116.42 120.63 2x8n h ASP 53 Ca -0.00 -0.40 -0.61 0.00 -0.62 0.00 0.00 57.03 55.40 2x8n h ASP 53 Cb 0.51 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.76 2x8n h ASP 53 CO 0.02 1.15 -0.22 -0.76 -3.12 0.00 0.00 179.24 176.31 2x8n s LEU 54 N -8.46 4.45 0.26 1.55 1.43 -0.87 -4.60 118.68 112.44 2x8n s LEU 54 Ca -0.08 0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 2x8n s LEU 54 Cb 0.11 -2.66 0.35 0.00 0.03 0.00 0.00 46.19 44.02 2x8n s LEU 54 CO 0.86 0.29 1.89 -0.61 0.23 0.00 0.00 176.35 179.01 2x8n h GLN 55 N 4.50 1.16 -0.66 1.70 5.75 -1.70 -2.11 115.11 123.74 2x8n h GLN 55 Ca -0.51 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 57.89 2x8n h GLN 55 Cb 1.21 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 2x8n h GLN 55 CO 0.62 0.77 0.31 0.00 -2.65 0.00 0.00 178.83 177.88 2x8n h ALA 56 N 1.42 1.32 0.00 3.38 0.00 -1.86 -3.34 119.26 120.18 2x8n h ALA 56 Ca 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2x8n h ALA 56 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2x8n h ALA 56 CO -0.15 0.53 -0.17 0.25 0.00 0.00 0.00 179.25 179.71 2x8n n THR 57 N -4.34 1.41 -2.15 0.00 -2.24 -1.05 -4.86 114.28 101.04 2x8n n THR 57 Ca 0.06 -1.74 -0.30 0.00 -2.27 0.00 0.00 64.05 59.80 2x8n n THR 57 Cb 0.13 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 2x8n n THR 57 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2x8n s TYR 58 N -2.14 2.05 0.00 4.78 5.04 -0.82 -1.71 117.35 124.55 2x8n s TYR 58 Ca 0.25 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 2x8n s TYR 58 Cb 0.22 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.38 2x8n s TYR 58 CO 0.01 -1.47 0.00 0.41 -1.34 0.00 0.00 175.55 173.16 2x8n n GLY 59 N 6.12 0.80 3.79 8.97 0.00 -1.26 -5.03 105.19 118.57 2x8n n GLY 59 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 2x8n n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x8n s ALA 60 N -2.00 3.02 0.41 4.61 0.00 -0.69 -5.05 121.76 122.06 2x8n s ALA 60 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 2x8n s ALA 60 Cb 0.00 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 2x8n s ALA 60 CO 0.00 -0.27 0.84 0.95 0.00 0.00 0.00 175.76 177.27 2x8n s THR 61 N -1.74 4.63 0.31 0.00 -4.23 -1.26 -4.99 115.64 108.37 2x8n s THR 61 Ca 0.61 0.99 0.09 0.00 -1.18 0.00 0.00 61.69 62.20 2x8n s THR 61 Cb -0.21 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.27 2x8n s THR 61 CO 0.26 -0.43 1.71 -0.65 -0.54 0.00 0.00 174.62 174.97 2x8n h PRO 62 N 1.58 0.46 -0.68 3.99 0.11 -1.96 -1.96 132.00 133.53 2x8n h PRO 62 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2x8n h PRO 62 Cb 1.18 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2x8n h PRO 62 CO 0.63 0.30 0.40 1.05 -0.21 0.00 0.00 178.00 180.18 2x8n h GLU 63 N 0.47 0.93 0.00 1.05 4.11 -2.01 -1.29 114.58 117.84 2x8n h GLU 63 Ca 0.64 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.99 2x8n h GLU 63 Cb 1.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2x8n h GLU 63 CO -0.52 0.66 0.00 1.96 0.07 0.00 0.00 179.01 181.18 2x8n h GLN 64 N 0.94 0.00 -0.41 1.06 4.20 -1.72 -2.91 115.11 116.27 2x8n h GLN 64 Ca 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2x8n h GLN 64 Cb -0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2x8n h GLN 64 CO -0.05 0.00 0.01 1.28 -0.67 0.00 0.00 178.83 179.40 2x8n n LEU 65 N -2.34 4.80 -0.08 1.46 4.77 -0.51 -4.22 117.00 120.89 2x8n n LEU 65 Ca 0.04 -3.00 -0.12 0.00 -0.03 0.00 0.00 56.01 52.90 2x8n n LEU 65 Cb 0.35 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2x8n n LEU 65 CO 0.26 0.66 -1.01 0.54 -1.33 0.00 0.00 177.39 176.51 2x8n n ARG 66 N 0.00 0.37 -2.83 3.23 1.74 -1.08 -4.34 116.66 113.76 2x8n n ARG 66 Ca 0.25 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 57.00 2x8n n ARG 66 Cb 1.05 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 31.21 2x8n n ARG 66 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2x8n s GLU 67 N -2.30 3.45 0.03 5.56 -1.05 -1.24 -4.99 118.70 118.16 2x8n s GLU 67 Ca -0.21 -1.35 0.04 0.00 -0.15 0.00 0.00 54.97 53.29 2x8n s GLU 67 Cb 0.06 -4.78 -0.02 0.00 -0.44 0.00 0.00 34.13 28.95 2x8n s GLU 67 CO 0.34 -1.87 -0.12 0.42 0.95 0.00 0.00 175.26 174.98 2x8n s ILE 68 N 3.54 0.93 0.18 1.83 1.01 -1.26 -4.53 121.20 122.90 2x8n s ILE 68 Ca 0.32 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 60.17 2x8n s ILE 68 Cb -0.07 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 2x8n s ILE 68 CO -0.03 0.00 -0.09 -0.70 0.00 0.00 0.00 174.94 174.12 2x8n s GLU 69 N -0.96 1.20 0.62 2.79 2.12 -1.03 -5.03 118.70 118.41 2x8n s GLU 69 Ca 0.00 -1.54 -0.14 0.00 0.36 0.00 0.00 54.97 53.66 2x8n s GLU 69 Cb -0.07 -0.75 -0.03 0.00 0.26 0.00 0.00 34.13 33.54 2x8n s GLU 69 CO 0.01 0.06 1.05 0.42 -0.54 0.00 0.00 175.26 176.26 2x8n s ILE 70 N -3.26 4.06 0.75 -3.70 -1.09 -1.26 -0.64 121.20 116.05 2x8n s ILE 70 Ca 0.21 0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 59.30 2x8n s ILE 70 Cb 0.03 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 2x8n s ILE 70 CO 0.04 -0.71 0.48 -1.20 -1.23 0.00 0.00 174.94 172.31 2x8n n SER 71 N -2.44 -1.43 0.27 3.58 7.64 -1.05 -3.84 113.62 116.34 2x8n n SER 71 Ca 0.08 0.56 0.16 0.00 1.01 0.00 0.00 58.87 60.68 2x8n n SER 71 Cb 0.53 -1.20 0.68 0.00 -1.01 0.00 0.00 64.21 63.21 2x8n n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2x8n h PRO 72 N -0.50 0.00 0.00 1.43 0.13 -1.94 -1.93 132.00 129.19 2x8n h PRO 72 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2x8n h PRO 72 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2x8n h PRO 72 CO 0.41 0.05 -0.14 -1.13 -0.23 0.00 0.00 178.00 176.96 2x8n n SER 73 N -3.18 0.40 0.00 1.44 3.41 -1.26 -4.95 113.62 109.49 2x8n n SER 73 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2x8n n SER 73 Cb 0.31 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2x8n n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x8n n GLY 74 N 1.42 0.34 0.00 5.00 0.00 -0.73 -4.79 105.19 106.43 2x8n n GLY 74 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2x8n n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x8n n LEU 75 N 0.00 0.62 0.00 0.99 4.77 -1.26 -3.57 117.00 118.55 2x8n n LEU 75 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2x8n n LEU 75 Cb 0.10 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2x8n n LEU 75 CO 0.00 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 2x8n n GLY 76 N 1.94 0.40 3.15 -0.72 0.00 -1.26 -1.39 105.19 107.31 2x8n n GLY 76 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2x8n n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x8n s VAL 77 N 2.93 0.64 -0.22 1.61 0.11 -0.65 -2.55 120.40 122.27 2x8n s VAL 77 Ca 0.00 -1.85 -0.02 0.00 -2.93 0.00 0.00 61.98 57.18 2x8n s VAL 77 Cb 0.00 -1.57 0.07 0.00 -1.53 0.00 0.00 36.38 33.34 2x8n s VAL 77 CO 0.00 -0.84 0.03 -0.47 -3.33 0.00 0.00 175.10 170.49 2x8n s TYR 78 N -3.46 1.33 -0.61 1.54 6.14 0.19 -1.68 117.35 120.79 2x8n s TYR 78 Ca 0.09 -1.11 -0.24 0.00 0.64 0.00 0.00 57.07 56.45 2x8n s TYR 78 Cb 0.04 -1.20 0.05 0.00 0.42 0.00 0.00 41.96 41.27 2x8n s TYR 78 CO -0.05 -0.67 1.02 -0.06 0.64 0.00 0.00 175.55 176.43 2x8n s PHE 79 N 1.75 2.67 0.13 4.97 0.08 -0.28 -2.47 117.98 124.83 2x8n s PHE 79 Ca -0.00 -0.14 0.14 0.00 0.12 0.00 0.00 56.93 57.05 2x8n s PHE 79 Cb -0.17 -4.26 0.37 0.00 -0.57 0.00 0.00 43.02 38.39 2x8n s PHE 79 CO -0.10 -1.57 1.59 1.49 -0.10 0.00 0.00 175.22 176.53 2x8n h GLU 80 N 9.51 0.00 -0.13 0.44 4.81 -1.81 0.18 114.58 127.59 2x8n h GLU 80 Ca -0.27 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2x8n h GLU 80 Cb 1.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2x8n h GLU 80 CO 1.15 0.54 -0.07 1.15 -0.73 0.00 0.00 179.01 181.05 2x8n h THR 81 N 0.00 1.13 0.00 0.32 2.02 -1.87 -2.77 112.91 111.74 2x8n h THR 81 Ca -0.01 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2x8n h THR 81 Cb 1.15 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2x8n h THR 81 CO 0.07 0.17 -1.46 0.18 0.37 0.00 0.00 175.52 174.85 2x8n n LEU 82 N -4.35 0.46 -2.70 2.58 4.77 -0.88 -4.97 117.00 111.90 2x8n n LEU 82 Ca -0.01 -0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.63 2x8n n LEU 82 Cb 0.21 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2x8n n LEU 82 CO 0.37 0.08 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.74 2x8n n GLU 83 N -1.99 -2.99 -4.05 3.23 1.02 -0.01 -4.99 120.64 110.86 2x8n n GLU 83 Ca -0.00 0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 57.85 2x8n n GLU 83 Cb 0.47 -5.57 -0.14 0.00 -0.02 0.00 0.00 31.44 26.18 2x8n n GLU 83 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2x8n s GLU 84 N -5.35 0.30 0.30 3.49 2.56 -0.80 -5.01 118.70 114.19 2x8n s GLU 84 Ca 0.14 -0.20 0.07 0.00 0.00 0.00 0.00 54.97 54.98 2x8n s GLU 84 Cb -0.06 -0.25 -0.03 0.00 2.00 0.00 0.00 34.13 35.79 2x8n s GLU 84 CO 0.17 0.06 0.24 0.16 -0.56 0.00 0.00 175.26 175.34 2x8n s ASP 85 N -0.28 5.36 -0.32 -1.70 -4.77 -1.26 -1.13 116.67 112.58 2x8n s ASP 85 Ca -0.01 -0.40 0.04 0.00 -3.30 0.00 0.00 52.55 48.88 2x8n s ASP 85 Cb -0.02 -1.15 0.09 0.00 -1.09 0.00 0.00 42.92 40.75 2x8n s ASP 85 CO -0.00 -0.21 0.01 -0.69 0.70 0.00 0.00 175.17 174.97 2x8n s VAL 86 N -2.24 2.28 0.09 2.11 1.01 -0.68 -4.11 120.40 118.86 2x8n s VAL 86 Ca 0.37 -2.12 -0.31 0.00 0.00 0.00 0.00 61.98 59.92 2x8n s VAL 86 Cb -0.07 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 2x8n s VAL 86 CO 0.26 -0.43 1.60 -0.44 0.00 0.00 0.00 175.10 176.09 2x8n s SER 87 N 0.98 6.63 0.22 3.32 0.01 -1.26 -1.64 113.70 121.96 2x8n s SER 87 Ca 0.05 2.49 -0.08 0.00 1.31 0.00 0.00 55.95 59.72 2x8n s SER 87 Cb -0.19 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.65 2x8n s SER 87 CO -0.07 -0.85 1.84 0.25 0.41 0.00 0.00 173.24 174.83 2x8n h LEU 88 N 7.98 1.07 -0.51 2.44 5.85 -1.90 -2.82 115.31 127.42 2x8n h LEU 88 Ca -0.42 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.24 2x8n h LEU 88 Cb 1.20 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2x8n h LEU 88 CO 0.92 0.87 0.26 0.40 -0.34 0.00 0.00 178.44 180.55 2x8n h ILE 89 N 1.19 0.96 -0.46 4.05 1.08 -1.93 -0.90 117.51 121.51 2x8n h ILE 89 Ca 0.30 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2x8n h ILE 89 Cb 0.04 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 2x8n h ILE 89 CO -0.05 0.09 0.24 1.23 -0.69 0.00 0.00 178.15 178.97 2x8n h GLY 90 N 0.51 0.67 1.35 5.37 0.00 -1.70 -0.85 103.07 108.42 2x8n h GLY 90 Ca 0.22 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 2x8n h GLY 90 CO -0.15 0.28 -0.14 1.41 0.00 0.00 0.00 176.54 177.94 2x8n h LEU 91 N 0.63 0.76 -0.35 3.11 3.38 -0.95 0.39 115.31 122.28 2x8n h LEU 91 Ca 0.16 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2x8n h LEU 91 Cb 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2x8n h LEU 91 CO -0.02 0.91 -0.61 -0.07 0.09 0.00 0.00 178.44 178.74 2x8n h LEU 92 N 0.69 0.82 0.00 1.67 3.38 -0.85 -3.23 115.31 117.79 2x8n h LEU 92 Ca 0.11 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 2x8n h LEU 92 Cb 0.62 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2x8n h LEU 92 CO 0.04 1.24 -0.46 -0.33 0.09 0.00 0.00 178.44 179.02 2x8n h GLU 93 N 0.54 0.00 0.00 1.13 4.39 -1.00 -3.47 114.58 116.17 2x8n h GLU 93 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2x8n h GLU 93 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2x8n h GLU 93 CO 0.12 0.36 0.00 0.41 -1.16 0.00 0.00 179.01 178.74 2x8n n GLY 94 N 1.21 0.61 3.05 -3.84 0.00 0.84 -5.00 105.19 102.05 2x8n n GLY 94 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2x8n n GLY 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x8n n ARG 95 N -2.00 2.45 0.00 1.61 0.63 0.99 -4.75 116.66 115.60 2x8n n ARG 95 Ca 0.00 -2.51 0.15 0.00 -0.92 0.00 0.00 57.85 54.57 2x8n n ARG 95 Cb 0.00 -3.27 0.89 0.00 0.45 0.00 0.00 32.46 30.53 2x8n n ARG 95 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2x8n n ARG 96 N 6.92 0.98 0.00 -0.14 1.85 -1.24 -4.29 116.66 120.74 2x8n n ARG 96 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.35 2x8n n ARG 96 Cb 0.41 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 2x8n n ARG 96 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2x8n n GLY 97 N 0.94 4.21 3.82 2.89 0.00 -1.26 -2.08 105.19 113.70 2x8n n GLY 97 Ca 0.22 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2x8n n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2x8n s SER 98 N 1.51 6.04 0.27 1.61 0.15 -1.26 -4.94 113.70 117.06 2x8n s SER 98 Ca 0.00 1.71 -0.04 0.00 0.70 0.00 0.00 55.95 58.31 2x8n s SER 98 Cb 0.00 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.12 2x8n s SER 98 CO 0.00 -0.99 1.92 0.00 1.20 0.00 0.00 173.24 175.36 2x8n h ALA 99 N 0.47 1.29 -0.31 5.45 0.00 -1.99 -1.31 119.26 122.87 2x8n h ALA 99 Ca -0.46 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2x8n h ALA 99 Cb 1.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2x8n h ALA 99 CO 0.59 0.61 -0.13 0.87 0.00 0.00 0.00 179.25 181.19 2x8n h LYS 100 N 1.19 0.63 -0.55 0.00 6.56 -1.98 -1.63 116.57 120.80 2x8n h LYS 100 Ca 0.31 -0.27 0.04 0.00 -1.06 0.00 0.00 60.65 59.67 2x8n h LYS 100 Cb -0.06 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.54 2x8n h LYS 100 CO -0.06 0.85 0.30 2.35 -2.06 0.00 0.00 179.45 180.83 2x8n h TRP 101 N 0.39 0.56 0.00 -1.35 7.01 -1.88 -1.05 115.95 119.63 2x8n h TRP 101 Ca 0.07 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.04 2x8n h TRP 101 Cb 0.65 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 2x8n h TRP 101 CO 0.06 0.29 -0.23 0.52 -2.79 0.00 0.00 178.44 176.29 2x8n h MET 102 N 0.59 0.00 0.07 2.65 2.86 -1.17 -0.55 114.93 119.38 2x8n h MET 102 Ca 0.23 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.60 2x8n h MET 102 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2x8n h MET 102 CO -0.14 0.23 -1.42 0.00 1.06 0.00 0.00 176.91 176.63 2x8n h ALA 103 N 1.77 0.38 0.00 6.32 0.00 -0.76 -3.38 119.26 123.60 2x8n h ALA 103 Ca -0.00 -1.12 -0.32 0.00 0.00 0.00 0.00 54.91 53.47 2x8n h ALA 103 Cb 0.92 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2x8n h ALA 103 CO 0.03 1.25 -2.14 0.39 0.00 0.00 0.00 179.25 178.78 2x8n n GLU 104 N -3.35 0.67 -3.80 0.00 1.02 -0.45 -4.70 120.64 110.04 2x8n n GLU 104 Ca -0.12 0.07 -0.35 0.00 -0.02 0.00 0.00 57.16 56.74 2x8n n GLU 104 Cb 1.02 -1.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.72 2x8n n GLU 104 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2x8n s HIS 105 N -2.60 3.50 0.78 -0.32 3.76 -0.22 -5.09 115.29 115.11 2x8n s HIS 105 Ca -0.08 -2.66 -0.14 0.00 -0.15 0.00 0.00 55.06 52.03 2x8n s HIS 105 Cb 0.07 -3.15 0.07 0.00 1.11 0.00 0.00 32.58 30.68 2x8n s HIS 105 CO 0.83 -0.90 1.21 -1.25 -0.85 0.00 0.00 174.74 173.79 2x8n s PRO 106 N 0.53 1.78 0.14 8.40 0.04 -1.26 -4.37 135.00 140.26 2x8n s PRO 106 Ca 0.13 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 2x8n s PRO 106 Cb -0.22 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2x8n s PRO 106 CO -0.04 -2.11 0.30 -1.17 0.04 0.00 0.00 177.00 174.02 2x8n s LEU 107 N -5.52 0.91 -1.10 -3.56 2.96 -1.26 -5.06 118.68 106.05 2x8n s LEU 107 Ca 0.74 -0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 53.81 2x8n s LEU 107 Cb -0.29 1.36 -0.07 0.00 0.50 0.00 0.00 46.19 47.68 2x8n s LEU 107 CO 0.49 -0.86 2.13 0.00 -1.32 0.00 0.00 176.35 176.80 2x8n n ALA 108 N -0.18 4.59 -0.58 5.97 0.00 -1.26 -5.21 120.51 123.83 2x8n n ALA 108 Ca -0.11 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 49.94 2x8n n ALA 108 Cb 0.63 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.57 2x8n n ALA 108 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95