#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x8n n GLU 2 N 0.00 0.34 -2.51 3.17 -0.00 -1.26 -5.07 120.64 115.31 2x8n n GLU 2 Ca 0.00 -2.14 -0.41 0.00 -0.00 0.00 0.00 57.16 54.61 2x8n n GLU 2 Cb 0.00 1.84 -0.01 0.00 -0.00 0.00 0.00 31.44 33.27 2x8n n GLU 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2x8n s VAL 3 N -2.84 4.01 0.02 3.84 1.01 -1.26 -4.68 120.40 120.50 2x8n s VAL 3 Ca 0.25 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 2x8n s VAL 3 Cb 0.01 -5.08 -0.35 0.00 0.00 0.00 0.00 36.38 30.95 2x8n s VAL 3 CO 0.18 -1.88 0.97 0.77 0.00 0.00 0.00 175.10 175.14 2x8n h SER 4 N 8.24 0.82 -0.03 3.32 4.64 -2.04 -3.48 113.55 125.02 2x8n h SER 4 Ca 0.38 -0.90 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 2x8n h SER 4 Cb 0.90 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2x8n h SER 4 CO 1.42 1.71 -0.01 0.00 -0.87 0.00 0.00 176.83 179.08 2x8n n ALA 5 N -2.73 -0.01 -0.75 5.18 0.00 -1.26 -2.10 120.51 118.85 2x8n n ALA 5 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2x8n n ALA 5 Cb 1.10 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2x8n n ALA 5 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2x8n n ASN 6 N -0.92 -2.20 0.15 0.00 2.85 -1.26 -4.83 115.26 109.05 2x8n n ASN 6 Ca -0.01 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.59 2x8n n ASN 6 Cb 0.46 -2.48 0.33 0.00 1.24 0.00 0.00 39.78 39.34 2x8n n ASN 6 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2x8n h GLU 7 N 0.34 0.00 -0.25 1.20 4.11 -1.82 -2.97 114.58 115.19 2x8n h GLU 7 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 2x8n h GLU 7 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2x8n h GLU 7 CO 0.00 0.00 0.23 1.37 0.07 0.00 0.00 179.01 180.68 2x8n h LEU 8 N 0.00 0.00 1.93 3.06 8.10 -1.88 -3.46 115.31 123.07 2x8n h LEU 8 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.86 2x8n h LEU 8 Cb 0.81 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.00 2x8n h LEU 8 CO 0.00 0.00 -0.18 -1.84 -4.11 0.00 0.00 178.44 172.31 2x8n n GLU 9 N -4.06 -2.68 -0.26 0.17 0.28 -1.12 -4.83 120.64 108.14 2x8n n GLU 9 Ca 0.03 0.23 -0.06 0.00 -0.16 0.00 0.00 57.16 57.20 2x8n n GLU 9 Cb 0.37 -4.77 0.05 0.00 1.43 0.00 0.00 31.44 28.52 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 0.99 0.92 -0.33 -1.84 0.00 -1.89 -1.34 119.26 115.78 2x8n h ALA 10 Ca -0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2x8n h ALA 10 Cb 1.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2x8n h ALA 10 CO 0.19 0.47 0.17 0.00 0.00 0.00 0.00 179.25 180.08 2x8n h ALA 11 N 1.18 0.43 -0.26 0.00 0.00 -1.98 -0.16 119.26 118.46 2x8n h ALA 11 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2x8n h ALA 11 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2x8n h ALA 11 CO -0.03 -0.03 0.05 1.03 0.00 0.00 0.00 179.25 180.26 2x8n h SER 12 N 0.41 0.41 -0.70 0.00 0.87 -1.85 -1.95 113.55 110.73 2x8n h SER 12 Ca 0.12 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2x8n h SER 12 Cb 0.08 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 2x8n h SER 12 CO -0.02 0.56 0.45 0.28 -0.53 0.00 0.00 176.83 177.57 2x8n h SER 13 N 0.25 0.75 -0.67 6.23 0.02 -1.15 -2.61 113.55 116.36 2x8n h SER 13 Ca 0.08 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2x8n h SER 13 Cb 0.32 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2x8n h SER 13 CO 0.00 0.53 0.37 0.03 -1.14 0.00 0.00 176.83 176.62 2x8n h ARG 14 N 0.89 0.94 -0.33 3.45 2.47 -0.84 -1.17 114.38 119.79 2x8n h ARG 14 Ca 0.27 -0.11 0.06 0.00 -1.26 0.00 0.00 59.98 58.94 2x8n h ARG 14 Cb -0.02 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.06 2x8n h ARG 14 CO -0.09 0.71 0.02 0.52 0.56 0.00 0.00 179.97 181.69 2x8n h MET 15 N 0.92 0.12 -0.52 0.04 2.86 -0.98 -0.22 114.93 117.16 2x8n h MET 15 Ca 0.24 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 2x8n h MET 15 Cb 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2x8n h MET 15 CO -0.04 0.08 -0.02 0.93 1.06 0.00 0.00 176.91 178.92 2x8n h GLU 16 N 0.12 0.89 -0.48 1.72 5.08 -1.29 -2.01 114.58 118.61 2x8n h GLU 16 Ca 0.16 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2x8n h GLU 16 Cb 0.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2x8n h GLU 16 CO -0.25 0.90 0.26 0.52 -1.00 0.00 0.00 179.01 179.44 2x8n h MET 17 N 0.82 0.68 0.00 2.33 2.86 -0.64 -2.81 114.93 118.16 2x8n h MET 17 Ca 0.15 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 2x8n h MET 17 Cb 0.52 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2x8n h MET 17 CO 0.03 0.54 -0.51 -0.07 1.06 0.00 0.00 176.91 177.95 2x8n h LEU 18 N 0.64 0.00 0.82 1.22 3.38 -0.78 0.22 115.31 120.82 2x8n h LEU 18 Ca 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2x8n h LEU 18 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2x8n h LEU 18 CO -0.03 0.51 -0.40 1.56 0.09 0.00 0.00 178.44 180.17 2x8n h GLN 19 N 0.00 -1.08 0.00 1.13 4.20 -1.23 -2.27 115.11 115.86 2x8n h GLN 19 Ca -0.01 0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2x8n h GLN 19 Cb 0.94 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 2x8n h GLN 19 CO 0.07 -0.72 -0.23 0.07 -0.67 0.00 0.00 178.83 177.35 2x8n h ARG 20 N -1.12 0.00 0.00 1.46 0.11 -1.40 -3.21 114.38 110.23 2x8n h ARG 20 Ca -0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2x8n h ARG 20 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2x8n h ARG 20 CO 0.18 0.23 0.00 -1.91 0.10 0.00 0.00 179.97 178.57 2x8n n GLU 21 N -3.22 0.00 0.00 0.08 4.07 0.06 -4.84 120.64 116.78 2x8n n GLU 21 Ca 0.02 0.32 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 2x8n n GLU 21 Cb 0.54 -0.89 0.00 0.00 -0.06 0.00 0.00 31.44 31.03 2x8n n GLU 21 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2x8n n TYR 22 N -1.47 0.00 -3.55 4.31 0.53 -0.86 -5.07 117.16 111.04 2x8n n TYR 22 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 56.81 2x8n n TYR 22 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.29 2x8n n TYR 22 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 2x8n s SER 23 N -1.00 -0.31 0.46 7.72 0.01 -1.20 -4.98 113.70 114.40 2x8n s SER 23 Ca 0.00 -0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.26 2x8n s SER 23 Cb 0.00 0.39 -0.00 0.00 0.21 0.00 0.00 66.02 66.61 2x8n s SER 23 CO 0.00 -0.64 0.39 0.42 0.41 0.00 0.00 173.24 173.82 2x8n s THR 24 N -3.10 2.32 -0.14 1.44 -4.23 -1.25 -4.38 115.64 106.30 2x8n s THR 24 Ca 0.07 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.09 2x8n s THR 24 Cb -0.01 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 2x8n s THR 24 CO -0.07 0.00 0.17 -0.22 -0.54 0.00 0.00 174.62 173.96 2x8n s LEU 25 N -4.18 4.32 -0.16 4.79 2.96 -0.15 -0.93 118.68 125.33 2x8n s LEU 25 Ca 0.44 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.81 2x8n s LEU 25 Cb -0.02 -2.14 -0.12 0.00 0.50 0.00 0.00 46.19 44.41 2x8n s LEU 25 CO 0.26 0.30 -0.10 -2.11 -1.32 0.00 0.00 176.35 173.38 2x8n n ARG 26 N 2.65 0.78 -3.65 1.98 1.85 -0.97 -4.79 116.66 114.50 2x8n n ARG 26 Ca -0.17 0.07 -0.10 0.00 -1.00 0.00 0.00 57.85 56.64 2x8n n ARG 26 Cb 0.53 -1.33 -0.05 0.00 -1.05 0.00 0.00 32.46 30.56 2x8n n ARG 26 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2x8n s SER 27 N -5.37 -0.21 0.00 2.89 0.01 -0.99 -4.99 113.70 105.03 2x8n s SER 27 Ca -0.19 -0.32 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 2x8n s SER 27 Cb 0.05 0.46 -0.00 0.00 0.21 0.00 0.00 66.02 66.74 2x8n s SER 27 CO 0.42 -0.83 -0.00 -0.69 0.41 0.00 0.00 173.24 172.55 2x8n s VAL 28 N -3.71 0.01 -0.05 3.43 1.01 -1.26 -0.77 120.40 119.06 2x8n s VAL 28 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2x8n s VAL 28 Cb 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 36.38 36.38 2x8n s VAL 28 CO -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 175.10 174.89 2x8n s GLN 29 N -0.17 0.86 -0.47 2.72 -2.07 -0.49 -4.97 119.66 115.07 2x8n s GLN 29 Ca -0.02 -0.08 -0.24 0.00 -1.82 0.00 0.00 55.36 53.20 2x8n s GLN 29 Cb -0.01 -0.92 0.03 0.00 -1.09 0.00 0.00 33.01 31.01 2x8n s GLN 29 CO -0.00 -0.13 0.83 -0.47 -1.32 0.00 0.00 175.29 174.20 2x8n s TYR 30 N 1.15 2.95 -0.63 9.60 6.14 -1.26 -0.82 117.35 134.48 2x8n s TYR 30 Ca -0.07 0.16 -0.20 0.00 0.64 0.00 0.00 57.07 57.60 2x8n s TYR 30 Cb -0.14 -3.77 0.10 0.00 0.42 0.00 0.00 41.96 38.57 2x8n s TYR 30 CO -0.01 -1.06 0.79 1.03 0.64 0.00 0.00 175.55 176.94 2x8n s ARG 31 N 3.45 3.10 0.30 4.97 0.52 -0.14 -4.90 118.95 126.25 2x8n s ARG 31 Ca 0.31 -1.25 0.24 0.00 -0.52 0.00 0.00 55.73 54.52 2x8n s ARG 31 Cb -0.12 -4.29 1.09 0.00 0.52 0.00 0.00 34.95 32.15 2x8n s ARG 31 CO 0.23 -1.62 1.74 1.03 0.02 0.00 0.00 175.30 176.69 2x8n h SER 32 N 9.24 0.00 -0.11 0.23 0.87 -1.94 -0.22 113.55 121.62 2x8n h SER 32 Ca -0.26 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.34 2x8n h SER 32 Cb 1.08 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.99 2x8n h SER 32 CO 1.12 0.00 -0.23 -0.08 -0.53 0.00 0.00 176.83 177.10 2x8n h GLU 33 N 0.00 -0.29 -0.01 2.24 4.57 -1.93 -2.89 114.58 116.26 2x8n h GLU 33 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2x8n h GLU 33 Cb 0.29 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2x8n h GLU 33 CO 0.00 -0.19 -0.47 0.39 -1.18 0.00 0.00 179.01 177.56 2x8n n GLU 34 N -5.36 1.15 -3.35 1.92 -0.58 -1.15 -4.98 120.64 108.29 2x8n n GLU 34 Ca -0.03 -0.94 -0.19 0.00 -0.42 0.00 0.00 57.16 55.59 2x8n n GLU 34 Cb 0.27 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.73 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 -0.21 3.24 0.62 0.00 -0.22 -5.03 105.19 105.00 2x8n n GLY 35 Ca 0.09 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.25 1.54 -0.48 1.61 -7.23 -0.45 -4.22 120.40 107.93 2x8n s VAL 36 Ca 0.46 -1.31 -0.22 0.00 -1.81 0.00 0.00 61.98 59.09 2x8n s VAL 36 Cb -0.20 -1.38 0.03 0.00 0.56 0.00 0.00 36.38 35.39 2x8n s VAL 36 CO 0.57 0.03 0.77 -0.63 -0.31 0.00 0.00 175.10 175.52 2x8n s ILE 37 N -0.99 4.66 -0.42 -0.62 1.01 0.40 -0.97 121.20 124.26 2x8n s ILE 37 Ca 0.05 0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 2x8n s ILE 37 Cb -0.09 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 38.06 2x8n s ILE 37 CO 0.03 -0.79 0.63 -0.69 0.00 0.00 0.00 174.94 174.12 2x8n s VAL 38 N 3.25 4.85 -0.53 2.92 1.01 -0.00 -2.39 120.40 129.51 2x8n s VAL 38 Ca 0.27 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 2x8n s VAL 38 Cb -0.13 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2x8n s VAL 38 CO 0.20 -0.53 0.82 -0.36 0.00 0.00 0.00 175.10 175.23 2x8n s PHE 39 N 2.76 2.90 -0.57 5.22 0.08 -0.10 -1.39 117.98 126.88 2x8n s PHE 39 Ca 0.22 -0.17 -0.28 0.00 0.12 0.00 0.00 56.93 56.82 2x8n s PHE 39 Cb -0.14 -3.85 0.03 0.00 -0.57 0.00 0.00 43.02 38.48 2x8n s PHE 39 CO 0.18 -1.21 1.20 0.42 -0.10 0.00 0.00 175.22 175.71 2x8n s ILE 40 N 3.45 4.02 1.04 0.64 1.01 0.05 -0.97 121.20 130.44 2x8n s ILE 40 Ca 0.25 0.93 -0.12 0.00 0.00 0.00 0.00 60.65 61.72 2x8n s ILE 40 Cb -0.15 -4.70 0.21 0.00 0.01 0.00 0.00 42.46 37.84 2x8n s ILE 40 CO 0.17 -1.30 1.08 -0.76 0.00 0.00 0.00 174.94 174.13 2x8n s LEU 41 N 4.96 1.73 0.37 2.97 1.43 -0.45 -2.29 118.68 127.39 2x8n s LEU 41 Ca 0.44 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 55.35 2x8n s LEU 41 Cb -0.08 -3.89 0.71 0.00 0.03 0.00 0.00 46.19 42.96 2x8n s LEU 41 CO 0.26 -3.61 1.94 0.00 0.23 0.00 0.00 176.35 175.17 2x8n h ALA 42 N -2.22 1.50 -0.01 4.21 0.00 -1.34 -0.24 119.26 121.16 2x8n h ALA 42 Ca -0.53 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2x8n h ALA 42 Cb 1.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2x8n h ALA 42 CO 0.48 0.37 0.00 0.27 0.00 0.00 0.00 179.25 180.37 2x8n n ASN 43 N -4.34 0.07 -0.13 0.00 0.23 -1.26 -4.90 115.26 104.93 2x8n n ASN 43 Ca 0.02 -1.60 -0.02 0.00 -0.53 0.00 0.00 54.58 52.45 2x8n n ASN 43 Cb 0.19 -0.01 -0.01 0.00 -2.08 0.00 0.00 39.78 37.87 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 -0.66 -4.04 -4.69 0.53 8.00 -0.10 -5.01 116.55 110.58 2x8n n ASP 44 Ca 0.10 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 2x8n n ASP 44 Cb 0.06 -1.70 -0.03 0.00 -0.02 0.00 0.00 41.12 39.43 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2x8n s ARG 45 N -1.16 4.45 -0.39 -1.24 3.52 -1.26 -4.72 118.95 118.14 2x8n s ARG 45 Ca 0.00 1.35 -0.23 0.00 -0.13 0.00 0.00 55.73 56.71 2x8n s ARG 45 Cb 0.00 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2x8n s ARG 45 CO 0.00 -0.23 0.78 -1.21 -0.81 0.00 0.00 175.30 173.83 2x8n s GLU 46 N 1.71 3.65 0.46 5.12 2.02 -1.26 -1.34 118.70 129.06 2x8n s GLU 46 Ca 0.48 0.18 -0.19 0.00 0.02 0.00 0.00 54.97 55.46 2x8n s GLU 46 Cb -0.19 -3.85 -0.10 0.00 0.10 0.00 0.00 34.13 30.10 2x8n s GLU 46 CO 0.20 -0.93 0.97 -0.51 0.02 0.00 0.00 175.26 175.01 2x8n s LEU 47 N 3.16 3.81 -0.23 1.80 1.43 -0.15 -4.92 118.68 123.59 2x8n s LEU 47 Ca 0.31 1.65 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 2x8n s LEU 47 Cb -0.13 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.65 2x8n s LEU 47 CO 0.19 -0.47 0.12 -0.75 0.23 0.00 0.00 176.35 175.67 2x8n s LYS 48 N -3.52 0.13 -0.02 1.70 2.20 -1.26 -0.92 119.74 118.05 2x8n s LYS 48 Ca 0.61 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 2x8n s LYS 48 Cb -0.10 -1.46 0.02 0.00 -1.51 0.00 0.00 37.83 34.78 2x8n s LYS 48 CO 0.20 -0.84 -0.01 -0.06 -0.36 0.00 0.00 175.35 174.29 2x8n s PHE 49 N 2.14 0.27 0.70 4.03 0.08 -1.01 -5.01 117.98 119.18 2x8n s PHE 49 Ca 0.06 -0.01 -0.14 0.00 0.12 0.00 0.00 56.93 56.95 2x8n s PHE 49 Cb -0.16 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.01 2x8n s PHE 49 CO -0.23 -0.08 1.14 1.03 -0.10 0.00 0.00 175.22 176.98 2x8n s ARG 50 N 0.65 2.49 0.35 0.44 0.52 -1.26 -0.45 118.95 121.68 2x8n s ARG 50 Ca -0.06 1.49 0.08 0.00 -0.52 0.00 0.00 55.73 56.72 2x8n s ARG 50 Cb -0.09 -1.90 0.80 0.00 0.52 0.00 0.00 34.95 34.27 2x8n s ARG 50 CO -0.01 -1.51 1.87 -1.00 0.02 0.00 0.00 175.30 174.67 2x8n h PRO 51 N -0.23 0.69 0.00 3.54 0.13 -1.86 -1.88 132.00 132.39 2x8n h PRO 51 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2x8n h PRO 51 Cb 1.26 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2x8n h PRO 51 CO 0.52 0.46 -0.03 0.22 -0.23 0.00 0.00 178.00 178.93 2x8n h ASP 52 N 0.71 0.00 1.49 1.44 1.82 -1.90 -2.42 116.42 117.56 2x8n h ASP 52 Ca 0.44 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 57.02 2x8n h ASP 52 Cb 0.68 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 2x8n h ASP 52 CO -0.20 0.03 -0.29 0.44 -1.61 0.00 0.00 179.24 177.61 2x8n h ASP 53 N 0.00 0.00 -3.23 2.28 5.19 -1.70 -3.46 116.42 115.50 2x8n h ASP 53 Ca -0.00 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.74 2x8n h ASP 53 Cb 0.59 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.97 2x8n h ASP 53 CO 0.00 0.29 -0.60 -0.76 -3.12 0.00 0.00 179.24 175.05 2x8n s LEU 54 N -6.45 3.70 0.38 1.55 1.43 -0.92 -4.41 118.68 113.95 2x8n s LEU 54 Ca 0.04 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 2x8n s LEU 54 Cb 0.07 -1.96 0.75 0.00 0.03 0.00 0.00 46.19 45.09 2x8n s LEU 54 CO 0.69 0.34 1.91 -0.61 0.23 0.00 0.00 176.35 178.92 2x8n h GLN 55 N 4.80 0.31 -0.37 1.70 -0.00 -1.82 -2.25 115.11 117.49 2x8n h GLN 55 Ca -0.51 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.07 2x8n h GLN 55 Cb 1.19 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.61 2x8n h GLN 55 CO 0.57 0.41 0.20 0.00 0.00 0.00 0.00 178.83 180.01 2x8n h ALA 56 N 1.62 0.47 0.00 3.38 0.00 -1.87 -3.36 119.26 119.49 2x8n h ALA 56 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x8n h ALA 56 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2x8n h ALA 56 CO 0.02 -0.01 -0.14 0.25 0.00 0.00 0.00 179.25 179.37 2x8n n THR 57 N -4.76 1.95 -2.19 0.00 -2.24 -1.09 -4.84 114.28 101.10 2x8n n THR 57 Ca -0.00 -2.49 -0.31 0.00 -2.27 0.00 0.00 64.05 58.97 2x8n n THR 57 Cb 0.08 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.93 2.01 0.00 4.78 5.04 -0.87 -1.88 117.35 123.51 2x8n s TYR 58 Ca 0.33 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 2x8n s TYR 58 Cb 0.30 -4.23 0.00 0.00 0.35 0.00 0.00 41.96 38.38 2x8n s TYR 58 CO 0.00 -1.79 0.00 0.41 -1.34 0.00 0.00 175.55 172.83 2x8n n GLY 59 N 6.83 0.97 3.80 8.97 0.00 -1.26 -5.06 105.19 119.44 2x8n n GLY 59 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 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 3.14 0.29 4.61 0.00 -0.79 -5.07 121.76 121.95 2x8n s ALA 60 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 51.96 52.23 2x8n s ALA 60 Cb 0.00 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 2x8n s ALA 60 CO 0.00 0.16 0.79 0.95 0.00 0.00 0.00 175.76 177.66 2x8n s THR 61 N -1.85 4.51 0.64 0.00 -4.23 -1.26 -4.98 115.64 108.47 2x8n s THR 61 Ca 0.55 1.32 0.42 0.00 -1.18 0.00 0.00 61.69 62.80 2x8n s THR 61 Cb -0.15 -3.79 0.43 0.00 1.34 0.00 0.00 72.50 70.33 2x8n s THR 61 CO 0.19 0.04 2.35 1.55 -0.54 0.00 0.00 174.62 178.20 2x8n h PRO 62 N 2.91 0.00 -0.56 3.99 0.13 -1.97 -1.60 132.00 134.90 2x8n h PRO 62 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2x8n h PRO 62 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2x8n h PRO 62 CO 0.65 0.00 0.19 1.05 -0.23 0.00 0.00 178.00 179.66 2x8n h GLU 63 N 0.00 0.82 0.00 0.86 4.11 -2.02 -2.48 114.58 115.88 2x8n h GLU 63 Ca -0.00 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2x8n h GLU 63 Cb 0.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2x8n h GLU 63 CO 0.00 0.70 -0.08 1.96 0.07 0.00 0.00 179.01 181.66 2x8n h GLN 64 N 0.81 0.00 -0.62 1.06 4.20 -1.64 -2.97 115.11 115.94 2x8n h GLN 64 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2x8n h GLN 64 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2x8n h GLN 64 CO -0.01 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.51 2x8n n LEU 65 N -3.15 3.65 -0.09 1.46 4.77 -0.95 -3.73 117.00 118.96 2x8n n LEU 65 Ca 0.02 -1.84 -0.12 0.00 -0.03 0.00 0.00 56.01 54.04 2x8n n LEU 65 Cb 0.46 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2x8n n LEU 65 CO 0.32 0.74 -0.64 0.54 -1.33 0.00 0.00 177.39 177.02 2x8n n ARG 66 N 1.06 0.51 -2.68 3.23 1.74 -1.12 -4.21 116.66 115.20 2x8n n ARG 66 Ca 0.21 0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 57.26 2x8n n ARG 66 Cb 0.64 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.51 3.30 -0.03 5.56 -1.05 -1.24 -4.97 118.70 117.75 2x8n s GLU 67 Ca -0.25 -0.76 0.02 0.00 -0.15 0.00 0.00 54.97 53.83 2x8n s GLU 67 Cb 0.05 -4.53 0.01 0.00 -0.44 0.00 0.00 34.13 29.22 2x8n s GLU 67 CO 0.38 -2.03 -0.07 0.42 0.95 0.00 0.00 175.26 174.91 2x8n s ILE 68 N 4.79 0.68 0.37 1.83 1.01 -1.26 -4.45 121.20 124.16 2x8n s ILE 68 Ca 0.34 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.79 2x8n s ILE 68 Cb -0.08 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 2x8n s ILE 68 CO 0.05 0.23 0.10 -0.70 0.00 0.00 0.00 174.94 174.62 2x8n s GLU 69 N 0.38 2.19 0.59 2.79 2.12 -0.89 -4.99 118.70 120.88 2x8n s GLU 69 Ca -0.06 -1.75 -0.11 0.00 0.36 0.00 0.00 54.97 53.41 2x8n s GLU 69 Cb -0.10 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 2x8n s GLU 69 CO 0.00 0.04 0.99 0.42 -0.54 0.00 0.00 175.26 176.18 2x8n s ILE 70 N -2.53 4.71 0.68 -3.70 -1.09 -1.26 -0.84 121.20 117.17 2x8n s ILE 70 Ca 0.38 0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 59.47 2x8n s ILE 70 Cb 0.01 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 2x8n s ILE 70 CO 0.21 -1.06 0.43 -1.20 -1.23 0.00 0.00 174.94 172.10 2x8n n SER 71 N -2.54 -1.50 0.00 3.58 7.64 -0.95 -3.78 113.62 116.06 2x8n n SER 71 Ca 0.05 0.61 0.07 0.00 1.01 0.00 0.00 58.87 60.62 2x8n n SER 71 Cb 0.54 -1.16 0.35 0.00 -1.01 0.00 0.00 64.21 62.93 2x8n n SER 71 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2x8n n PRO 72 N -0.30 0.10 0.00 1.43 -0.04 -1.26 -1.64 135.00 133.30 2x8n n PRO 72 Ca 0.10 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2x8n n PRO 72 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2x8n n PRO 72 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2x8n n SER 73 N -1.40 1.53 0.00 3.54 7.64 -1.26 -5.01 113.62 118.66 2x8n n SER 73 Ca 0.05 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.67 2x8n n SER 73 Cb 0.15 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2x8n n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x8n n GLY 74 N 1.26 2.97 0.00 0.23 0.00 -0.65 -4.91 105.19 104.10 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 0.11 0.00 0.99 4.77 -1.26 -3.66 117.00 117.94 2x8n n LEU 75 Ca 0.00 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 2x8n n LEU 75 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2x8n n LEU 75 CO 0.00 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 2x8n n GLY 76 N -0.54 0.48 3.32 -0.72 0.00 -1.26 -0.98 105.19 105.49 2x8n n GLY 76 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 2.87 1.15 -0.25 1.61 0.11 -0.46 -2.25 120.40 123.18 2x8n s VAL 77 Ca 0.00 -2.06 -0.03 0.00 -2.93 0.00 0.00 61.98 56.96 2x8n s VAL 77 Cb 0.00 -2.21 0.10 0.00 -1.53 0.00 0.00 36.38 32.74 2x8n s VAL 77 CO 0.00 -0.45 0.18 -0.47 -3.33 0.00 0.00 175.10 171.04 2x8n s TYR 78 N -3.34 -0.00 -0.68 1.54 6.14 -0.02 -2.17 117.35 118.81 2x8n s TYR 78 Ca 0.25 -0.41 -0.26 0.00 0.64 0.00 0.00 57.07 57.29 2x8n s TYR 78 Cb 0.04 -0.66 0.04 0.00 0.42 0.00 0.00 41.96 41.80 2x8n s TYR 78 CO 0.07 -0.76 1.17 -0.06 0.64 0.00 0.00 175.55 176.61 2x8n s PHE 79 N 2.21 2.45 0.29 4.97 0.08 0.26 -2.11 117.98 126.14 2x8n s PHE 79 Ca 0.08 -0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.07 2x8n s PHE 79 Cb -0.15 -4.50 0.46 0.00 -0.57 0.00 0.00 43.02 38.25 2x8n s PHE 79 CO -0.27 -1.86 1.77 1.49 -0.10 0.00 0.00 175.22 176.25 2x8n h GLU 80 N 9.80 0.52 -0.13 0.44 4.81 -1.80 -2.16 114.58 126.08 2x8n h GLU 80 Ca -0.28 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2x8n h GLU 80 Cb 1.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2x8n h GLU 80 CO 1.23 0.67 0.01 1.15 -0.73 0.00 0.00 179.01 181.34 2x8n h THR 81 N 0.48 1.08 -0.30 0.32 2.02 -1.88 -1.61 112.91 113.02 2x8n h THR 81 Ca 0.08 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2x8n h THR 81 Cb 0.55 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2x8n h THR 81 CO 0.04 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2x8n n LEU 82 N -4.44 2.81 -2.07 2.58 -0.00 -1.10 -4.98 117.00 109.80 2x8n n LEU 82 Ca -0.01 -1.71 -0.16 0.00 -0.00 0.00 0.00 56.01 54.12 2x8n n LEU 82 Cb 0.14 -0.20 -0.03 0.00 -0.00 0.00 0.00 43.42 43.34 2x8n n LEU 82 CO 0.35 0.66 -0.19 -0.62 -0.00 0.00 0.00 177.39 177.60 2x8n n GLU 83 N 0.72 -1.74 -4.11 1.47 1.02 -0.61 -4.94 120.64 112.44 2x8n n GLU 83 Ca 0.12 0.86 -0.15 0.00 -0.02 0.00 0.00 57.16 57.98 2x8n n GLU 83 Cb 0.42 -5.37 -0.12 0.00 -0.02 0.00 0.00 31.44 26.35 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 -4.42 0.58 0.28 3.49 2.56 -0.86 -5.00 118.70 115.33 2x8n s GLU 84 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 54.97 54.37 2x8n s GLU 84 Cb 0.00 -0.42 -0.04 0.00 2.00 0.00 0.00 34.13 35.66 2x8n s GLU 84 CO 0.00 0.09 -0.00 0.16 -0.56 0.00 0.00 175.26 174.95 2x8n s ASP 85 N -1.34 4.44 -0.24 -1.70 -4.77 -1.26 -0.58 116.67 111.22 2x8n s ASP 85 Ca -0.06 -0.73 0.02 0.00 -3.30 0.00 0.00 52.55 48.48 2x8n s ASP 85 Cb -0.09 -0.75 0.05 0.00 -1.09 0.00 0.00 42.92 41.04 2x8n s ASP 85 CO 0.01 -0.05 -0.12 -0.69 0.70 0.00 0.00 175.17 175.02 2x8n s VAL 86 N -2.37 2.02 -0.05 2.11 1.01 -0.92 -4.29 120.40 117.91 2x8n s VAL 86 Ca 0.32 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 2x8n s VAL 86 Cb -0.05 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2x8n s VAL 86 CO 0.20 0.07 1.46 -0.44 0.00 0.00 0.00 175.10 176.38 2x8n s SER 87 N 1.19 6.81 0.17 3.32 0.01 -1.26 -1.36 113.70 122.59 2x8n s SER 87 Ca -0.06 2.06 -0.14 0.00 1.31 0.00 0.00 55.95 59.12 2x8n s SER 87 Cb -0.18 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.58 2x8n s SER 87 CO -0.07 -0.80 1.81 0.25 0.41 0.00 0.00 173.24 174.85 2x8n h LEU 88 N 9.27 0.47 -0.89 2.44 5.85 -1.90 -2.69 115.31 127.88 2x8n h LEU 88 Ca -0.36 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 2x8n h LEU 88 Cb 1.16 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2x8n h LEU 88 CO 0.94 0.34 0.54 0.40 -0.34 0.00 0.00 178.44 180.32 2x8n h ILE 89 N 0.59 1.24 -0.94 4.05 1.08 -1.93 -1.34 117.51 120.27 2x8n h ILE 89 Ca 0.20 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2x8n h ILE 89 Cb 0.01 -0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 33.69 2x8n h ILE 89 CO -0.09 0.25 0.61 1.23 -0.69 0.00 0.00 178.15 179.46 2x8n h GLY 90 N 1.22 1.38 1.04 5.37 0.00 -1.72 -0.96 103.07 109.40 2x8n h GLY 90 Ca 0.32 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2x8n h GLY 90 CO -0.06 0.38 0.38 1.41 0.00 0.00 0.00 176.54 178.66 2x8n h LEU 91 N 1.17 1.12 -0.98 3.11 3.38 -0.98 0.37 115.31 122.50 2x8n h LEU 91 Ca 0.38 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2x8n h LEU 91 Cb 0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2x8n h LEU 91 CO -0.13 0.96 -0.51 -0.07 0.09 0.00 0.00 178.44 178.78 2x8n h LEU 92 N 1.21 0.00 0.00 1.67 3.38 -0.75 -3.04 115.31 117.77 2x8n h LEU 92 Ca 0.29 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 2x8n h LEU 92 Cb 0.15 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2x8n h LEU 92 CO -0.03 0.51 -0.87 -0.33 0.09 0.00 0.00 178.44 177.80 2x8n h GLU 93 N 0.00 0.00 0.00 1.13 4.39 -0.72 -3.48 114.58 115.90 2x8n h GLU 93 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2x8n h GLU 93 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2x8n h GLU 93 CO 0.07 0.42 0.00 0.41 -1.16 0.00 0.00 179.01 178.74 2x8n n GLY 94 N 1.29 0.32 2.66 -3.84 0.00 -0.10 -5.01 105.19 100.50 2x8n n GLY 94 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 3.34 0.18 1.61 0.63 0.11 -4.75 116.66 115.78 2x8n n ARG 95 Ca 0.00 -2.81 0.14 0.00 -0.92 0.00 0.00 57.85 54.25 2x8n n ARG 95 Cb 0.00 -3.06 0.60 0.00 0.45 0.00 0.00 32.46 30.46 2x8n n ARG 95 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 2x8n h ARG 96 N 5.63 0.00 -4.84 -0.14 0.11 -1.86 -3.37 114.38 109.91 2x8n h ARG 96 Ca 0.60 0.00 -0.46 0.00 0.10 0.00 0.00 59.98 60.22 2x8n h ARG 96 Cb 0.54 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.49 2x8n h ARG 96 CO 1.78 0.00 -0.46 0.20 0.10 0.00 0.00 179.97 181.59 2x8n s GLY 97 N -3.73 2.29 0.76 0.08 0.00 -1.26 -3.11 107.32 102.35 2x8n s GLY 97 Ca 0.02 -2.04 -0.13 0.00 0.00 0.00 0.00 44.72 42.57 2x8n s GLY 97 CO 0.39 -1.43 1.15 -1.35 0.00 0.00 0.00 173.10 171.86 2x8n s SER 98 N -3.37 4.19 0.41 1.64 1.04 -1.26 -4.78 113.70 111.57 2x8n s SER 98 Ca 0.40 2.13 0.07 0.00 0.48 0.00 0.00 55.95 59.04 2x8n s SER 98 Cb 0.02 -2.56 0.85 0.00 0.10 0.00 0.00 66.02 64.43 2x8n s SER 98 CO 0.27 -2.25 2.05 0.00 0.98 0.00 0.00 173.24 174.29 2x8n h ALA 99 N -0.72 1.72 0.59 5.32 0.00 -1.98 0.36 119.26 124.55 2x8n h ALA 99 Ca -0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2x8n h ALA 99 Cb 1.27 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2x8n h ALA 99 CO 0.49 0.25 -0.28 0.87 0.00 0.00 0.00 179.25 180.58 2x8n h LYS 100 N 0.58 -0.76 -0.98 0.00 1.57 -2.00 -2.10 116.57 112.89 2x8n h LYS 100 Ca 0.17 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 2x8n h LYS 100 Cb -0.01 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2x8n h LYS 100 CO -0.04 -0.51 0.63 2.35 -0.57 0.00 0.00 179.45 181.32 2x8n h TRP 101 N -0.79 1.18 0.00 -1.35 7.01 -1.71 -1.14 115.95 119.15 2x8n h TRP 101 Ca -0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 2x8n h TRP 101 Cb 0.61 -0.39 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2x8n h TRP 101 CO -0.03 0.65 -0.08 0.52 -2.79 0.00 0.00 178.44 176.71 2x8n h MET 102 N 1.20 0.00 0.20 2.65 2.86 -0.94 0.27 114.93 121.17 2x8n h MET 102 Ca 0.40 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.70 2x8n h MET 102 Cb 0.07 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.75 2x8n h MET 102 CO -0.14 0.08 -1.63 0.00 1.06 0.00 0.00 176.91 176.27 2x8n h ALA 103 N 1.92 0.07 0.00 6.32 0.00 -0.64 -3.27 119.26 123.67 2x8n h ALA 103 Ca -0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 54.91 53.74 2x8n h ALA 103 Cb 0.83 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2x8n h ALA 103 CO 0.01 0.90 -1.07 0.93 0.00 0.00 0.00 179.25 180.02 2x8n h GLU 104 N 0.07 0.00 -2.21 0.00 5.08 -1.18 -3.39 114.58 112.95 2x8n h GLU 104 Ca -0.31 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.47 2x8n h GLU 104 Cb 2.08 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.93 2x8n h GLU 104 CO 0.19 0.26 -0.93 0.72 -1.00 0.00 0.00 179.01 178.25 2x8n n HIS 105 N -2.92 0.63 -2.09 4.33 8.25 0.94 -5.07 115.22 119.29 2x8n n HIS 105 Ca -0.05 -3.69 -0.28 0.00 -0.26 0.00 0.00 57.72 53.45 2x8n n HIS 105 Cb 0.74 -0.28 0.07 0.00 1.12 0.00 0.00 29.99 31.64 2x8n n HIS 105 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2x8n s PRO 106 N -1.19 2.35 0.52 -0.41 0.04 -1.23 -4.43 135.00 130.65 2x8n s PRO 106 Ca 0.35 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.48 2x8n s PRO 106 Cb 0.12 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2x8n s PRO 106 CO -0.12 -1.23 0.60 -0.51 0.04 0.00 0.00 177.00 175.78 2x8n s LEU 107 N -5.33 3.10 0.55 -3.56 1.02 -1.26 -5.01 118.68 108.20 2x8n s LEU 107 Ca 0.59 -0.89 0.34 0.00 0.02 0.00 0.00 54.13 54.19 2x8n s LEU 107 Cb -0.11 -1.70 1.46 0.00 0.02 0.00 0.00 46.19 45.86 2x8n s LEU 107 CO 0.47 -1.10 2.02 0.00 0.02 0.00 0.00 176.35 177.76 2x8n h ALA 108 N 0.52 1.02 0.00 4.21 0.00 -2.02 -3.55 119.26 119.44 2x8n h ALA 108 Ca -0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2x8n h ALA 108 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2x8n h ALA 108 CO 0.48 0.03 0.00 0.43 0.00 0.00 0.00 179.25 180.20