#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x8n h GLU 2 N 0.00 0.00 -6.11 0.03 5.08 -2.05 -3.44 114.58 108.09 2x8n h GLU 2 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2x8n h GLU 2 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2x8n h GLU 2 CO 0.00 0.46 1.40 0.14 -1.00 0.00 0.00 179.01 180.01 2x8n s VAL 3 N -3.74 3.07 -0.53 3.13 -7.23 -1.26 -4.95 120.40 108.89 2x8n s VAL 3 Ca -0.01 0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 59.97 2x8n s VAL 3 Cb 0.12 -3.08 0.03 0.00 0.56 0.00 0.00 36.38 34.02 2x8n s VAL 3 CO 0.72 -0.04 1.00 -0.94 -0.31 0.00 0.00 175.10 175.53 2x8n s SER 4 N 7.00 6.42 0.03 4.85 1.04 -1.26 -4.89 113.70 126.89 2x8n s SER 4 Ca 0.95 -0.08 -0.19 0.00 0.48 0.00 0.00 55.95 57.11 2x8n s SER 4 Cb -0.35 -2.47 0.04 0.00 0.10 0.00 0.00 66.02 63.34 2x8n s SER 4 CO 0.36 -1.23 0.43 0.00 0.98 0.00 0.00 173.24 173.77 2x8n s ALA 5 N 4.14 -1.05 0.37 5.32 0.00 -1.26 -5.07 121.76 124.20 2x8n s ALA 5 Ca 0.36 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.80 2x8n s ALA 5 Cb -0.10 0.29 0.80 0.00 0.00 0.00 0.00 23.12 24.10 2x8n s ALA 5 CO 0.23 -0.43 1.92 -0.97 0.00 0.00 0.00 175.76 176.52 2x8n h ASN 6 N 3.10 0.63 0.24 0.00 -0.73 -2.03 -1.69 115.58 115.11 2x8n h ASN 6 Ca -0.31 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 57.83 2x8n h ASN 6 Cb 1.20 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 2x8n h ASN 6 CO 0.43 0.37 -0.23 1.05 -0.37 0.00 0.00 177.43 178.68 2x8n h GLU 7 N 0.70 0.00 0.00 6.67 4.11 -1.98 -2.65 114.58 121.43 2x8n h GLU 7 Ca 0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.73 2x8n h GLU 7 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2x8n h GLU 7 CO -0.14 0.23 -0.30 -0.07 0.07 0.00 0.00 179.01 178.80 2x8n h LEU 8 N 0.00 0.00 0.15 3.06 -0.00 -1.65 -3.46 115.31 113.41 2x8n h LEU 8 Ca -0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.49 2x8n h LEU 8 Cb 0.41 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 40.89 2x8n h LEU 8 CO 0.03 0.30 -0.57 -1.84 -0.00 0.00 0.00 178.44 176.36 2x8n n GLU 9 N -4.17 -2.31 0.19 1.13 0.28 -1.00 -4.83 120.64 109.92 2x8n n GLU 9 Ca -0.02 0.23 0.14 0.00 -0.16 0.00 0.00 57.16 57.35 2x8n n GLU 9 Cb 0.34 -4.85 0.63 0.00 1.43 0.00 0.00 31.44 29.00 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 0.94 1.00 -0.26 -1.84 0.00 -1.87 -0.90 119.26 116.32 2x8n h ALA 10 Ca -0.40 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2x8n h ALA 10 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2x8n h ALA 10 CO 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.68 2x8n h ALA 11 N 2.12 0.37 -0.27 0.00 0.00 -1.96 -0.29 119.26 119.22 2x8n h ALA 11 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2x8n h ALA 11 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2x8n h ALA 11 CO 0.00 0.24 -0.25 1.03 0.00 0.00 0.00 179.25 180.27 2x8n h SER 12 N 0.28 0.68 -0.50 0.00 0.87 -1.57 -2.06 113.55 111.26 2x8n h SER 12 Ca 0.06 -0.46 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 2x8n h SER 12 Cb 0.63 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 2x8n h SER 12 CO 0.04 1.00 0.24 -1.28 -0.53 0.00 0.00 176.83 176.30 2x8n h SER 13 N 0.37 0.69 -0.10 6.23 0.87 -1.48 -2.35 113.55 117.78 2x8n h SER 13 Ca 0.05 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2x8n h SER 13 Cb 0.80 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2x8n h SER 13 CO 0.06 0.60 0.04 -0.09 -0.53 0.00 0.00 176.83 176.91 2x8n h ARG 14 N 0.76 0.14 -0.82 2.24 9.65 -0.90 -1.85 114.38 123.61 2x8n h ARG 14 Ca 0.19 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.07 2x8n h ARG 14 Cb 0.11 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.62 2x8n h ARG 14 CO -0.02 0.26 0.52 0.52 2.80 0.00 0.00 179.97 184.05 2x8n h MET 15 N 0.00 1.00 -0.78 0.20 2.86 -1.05 0.04 114.93 117.21 2x8n h MET 15 Ca 0.03 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2x8n h MET 15 Cb 0.17 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 2x8n h MET 15 CO -0.00 0.66 0.37 0.93 1.06 0.00 0.00 176.91 179.92 2x8n h GLU 16 N 1.03 1.12 -0.73 1.72 5.08 -1.39 -1.91 114.58 119.51 2x8n h GLU 16 Ca 0.32 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2x8n h GLU 16 Cb -0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2x8n h GLU 16 CO -0.11 0.88 0.28 0.52 -1.00 0.00 0.00 179.01 179.58 2x8n h MET 17 N 1.10 1.09 -0.31 2.33 2.86 -0.40 -2.44 114.93 119.16 2x8n h MET 17 Ca 0.27 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2x8n h MET 17 Cb 0.13 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2x8n h MET 17 CO -0.03 0.90 -0.20 -0.07 1.06 0.00 0.00 176.91 178.57 2x8n h LEU 18 N 1.05 0.58 0.10 1.22 3.38 -0.74 0.58 115.31 121.49 2x8n h LEU 18 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2x8n h LEU 18 Cb 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2x8n h LEU 18 CO -0.02 0.79 -0.05 1.56 0.09 0.00 0.00 178.44 180.81 2x8n h GLN 19 N 0.52 -0.14 0.00 1.13 4.20 -1.20 -2.65 115.11 116.97 2x8n h GLN 19 Ca 0.08 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 2x8n h GLN 19 Cb 0.63 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2x8n h GLN 19 CO 0.04 0.01 -0.60 0.07 -0.67 0.00 0.00 178.83 177.68 2x8n h ARG 20 N -0.25 0.00 0.00 1.46 0.11 -1.26 -3.32 114.38 111.12 2x8n h ARG 20 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2x8n h ARG 20 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2x8n h ARG 20 CO 0.02 0.45 -0.05 1.49 0.10 0.00 0.00 179.97 181.98 2x8n h GLU 21 N 0.00 0.00 0.00 0.08 4.57 -0.95 -3.46 114.58 114.82 2x8n h GLU 21 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2x8n h GLU 21 Cb 1.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 2x8n h GLU 21 CO 0.06 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.55 2x8n n TYR 22 N -3.22 0.00 -3.54 0.92 4.02 -1.00 -5.09 117.16 109.25 2x8n n TYR 22 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 2x8n n TYR 22 Cb 0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.30 2x8n n TYR 22 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2x8n s SER 23 N -1.00 -0.43 0.11 7.72 0.01 -1.22 -4.95 113.70 113.94 2x8n s SER 23 Ca 0.00 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.62 2x8n s SER 23 Cb 0.00 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2x8n s SER 23 CO 0.00 -0.50 0.19 0.42 0.41 0.00 0.00 173.24 173.76 2x8n s THR 24 N -1.80 4.99 -0.12 1.44 -4.23 -1.26 -4.58 115.64 110.09 2x8n s THR 24 Ca -0.01 -0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 59.49 2x8n s THR 24 Cb -0.01 -3.49 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 2x8n s THR 24 CO -0.00 0.02 1.08 -0.22 -0.54 0.00 0.00 174.62 174.95 2x8n s LEU 25 N -2.81 4.23 -0.19 4.79 2.96 -0.77 -1.65 118.68 125.24 2x8n s LEU 25 Ca 0.33 1.59 -0.07 0.00 -0.22 0.00 0.00 54.13 55.76 2x8n s LEU 25 Cb -0.12 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.81 2x8n s LEU 25 CO 0.26 -0.54 0.10 -2.11 -1.32 0.00 0.00 176.35 172.74 2x8n n ARG 26 N 5.39 0.68 -3.75 1.98 1.85 -0.82 -4.91 116.66 117.08 2x8n n ARG 26 Ca 0.10 0.27 -0.13 0.00 -1.00 0.00 0.00 57.85 57.10 2x8n n ARG 26 Cb 0.47 -1.64 -0.08 0.00 -1.05 0.00 0.00 32.46 30.17 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 -6.91 -0.17 -0.03 2.89 0.01 -1.07 -5.00 113.70 103.42 2x8n s SER 27 Ca -0.29 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 56.95 2x8n s SER 27 Cb 0.08 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.66 2x8n s SER 27 CO 0.67 -0.53 -0.05 -0.69 0.41 0.00 0.00 173.24 173.04 2x8n s VAL 28 N -1.93 0.52 -0.05 3.43 1.01 -1.26 -0.60 120.40 121.51 2x8n s VAL 28 Ca -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2x8n s VAL 28 Cb -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.85 2x8n s VAL 28 CO 0.01 0.20 -0.10 0.00 0.00 0.00 0.00 175.10 175.20 2x8n s GLN 29 N 0.54 1.29 -0.61 2.72 -2.07 -0.66 -5.01 119.66 115.86 2x8n s GLN 29 Ca -0.07 -0.32 -0.22 0.00 -1.82 0.00 0.00 55.36 52.93 2x8n s GLN 29 Cb -0.11 -1.14 0.06 0.00 -1.09 0.00 0.00 33.01 30.74 2x8n s GLN 29 CO 0.00 0.04 0.91 -0.47 -1.32 0.00 0.00 175.29 174.45 2x8n s TYR 30 N 0.56 2.76 -0.88 9.60 6.14 -1.26 -0.89 117.35 133.38 2x8n s TYR 30 Ca -0.10 -0.42 -0.25 0.00 0.64 0.00 0.00 57.07 56.94 2x8n s TYR 30 Cb -0.13 -4.14 0.04 0.00 0.42 0.00 0.00 41.96 38.14 2x8n s TYR 30 CO 0.02 -1.49 1.40 1.03 0.64 0.00 0.00 175.55 177.16 2x8n s ARG 31 N 3.82 3.35 0.57 4.97 0.52 -0.43 -4.83 118.95 126.92 2x8n s ARG 31 Ca 0.23 -0.66 0.37 0.00 -0.52 0.00 0.00 55.73 55.15 2x8n s ARG 31 Cb -0.16 -4.80 1.68 0.00 0.52 0.00 0.00 34.95 32.19 2x8n s ARG 31 CO 0.13 -2.23 2.09 0.66 0.02 0.00 0.00 175.30 175.96 2x8n h SER 32 N 10.09 0.00 -0.97 0.23 4.64 -1.95 0.20 113.55 125.80 2x8n h SER 32 Ca -0.03 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 2x8n h SER 32 Cb 1.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 2x8n h SER 32 CO 1.35 0.00 0.63 -0.33 -0.87 0.00 0.00 176.83 177.61 2x8n h GLU 33 N 0.00 1.13 0.00 4.77 4.39 -1.94 -3.07 114.58 119.86 2x8n h GLU 33 Ca 0.00 -0.07 -0.21 0.00 0.34 0.00 0.00 59.36 59.42 2x8n h GLU 33 Cb 0.34 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2x8n h GLU 33 CO 0.00 0.75 -1.91 0.39 -1.16 0.00 0.00 179.01 177.08 2x8n n GLU 34 N -4.48 0.65 -1.90 2.33 -0.58 -0.72 -4.99 120.64 110.95 2x8n n GLU 34 Ca 0.14 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.84 2x8n n GLU 34 Cb 0.16 -1.64 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 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 1.50 0.33 3.33 0.62 0.00 0.64 -5.05 105.19 106.56 2x8n n GLY 35 Ca -0.17 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.44 1.68 -0.18 1.61 -7.23 -0.89 -4.50 120.40 108.45 2x8n s VAL 36 Ca 0.00 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 2x8n s VAL 36 Cb 0.00 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 2x8n s VAL 36 CO 0.00 -0.54 0.19 -0.63 -0.31 0.00 0.00 175.10 173.81 2x8n s ILE 37 N -2.76 5.38 -0.26 -0.62 1.01 0.00 -1.32 121.20 122.63 2x8n s ILE 37 Ca 0.20 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.13 2x8n s ILE 37 Cb -0.02 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2x8n s ILE 37 CO 0.06 0.43 -0.01 -0.69 0.00 0.00 0.00 174.94 174.73 2x8n s VAL 38 N 0.35 3.29 -0.68 2.92 1.01 -0.07 -1.86 120.40 125.36 2x8n s VAL 38 Ca 0.11 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2x8n s VAL 38 Cb -0.12 -2.67 0.12 0.00 0.00 0.00 0.00 36.38 33.71 2x8n s VAL 38 CO 0.00 0.17 0.78 -0.36 0.00 0.00 0.00 175.10 175.69 2x8n s PHE 39 N 1.39 3.12 -0.15 5.22 0.08 -0.38 -1.66 117.98 125.60 2x8n s PHE 39 Ca 0.01 -1.17 -0.29 0.00 0.12 0.00 0.00 56.93 55.60 2x8n s PHE 39 Cb -0.17 -4.03 -0.01 0.00 -0.57 0.00 0.00 43.02 38.25 2x8n s PHE 39 CO -0.02 -1.28 1.07 0.42 -0.10 0.00 0.00 175.22 175.31 2x8n s ILE 40 N 2.34 4.62 0.65 0.64 1.01 0.23 -1.71 121.20 128.97 2x8n s ILE 40 Ca 0.16 1.93 -0.03 0.00 0.00 0.00 0.00 60.65 62.70 2x8n s ILE 40 Cb -0.19 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.10 2x8n s ILE 40 CO 0.02 -0.08 0.92 -0.76 0.00 0.00 0.00 174.94 175.04 2x8n s LEU 41 N 2.65 3.02 0.50 2.97 1.43 -0.49 -1.94 118.68 126.83 2x8n s LEU 41 Ca 0.48 0.14 0.19 0.00 -1.03 0.00 0.00 54.13 53.92 2x8n s LEU 41 Cb -0.18 -2.83 1.25 0.00 0.03 0.00 0.00 46.19 44.46 2x8n s LEU 41 CO 0.14 -1.48 2.08 0.00 0.23 0.00 0.00 176.35 177.31 2x8n h ALA 42 N -0.34 1.68 -0.26 4.21 0.00 -1.66 0.27 119.26 123.15 2x8n h ALA 42 Ca -0.42 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2x8n h ALA 42 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2x8n h ALA 42 CO 0.53 0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.19 2x8n n ASN 43 N -4.20 1.84 -1.45 0.00 0.23 -1.26 -4.94 115.26 105.48 2x8n n ASN 43 Ca -0.03 -1.84 -0.12 0.00 -0.53 0.00 0.00 54.58 52.06 2x8n n ASN 43 Cb 0.19 -0.17 -0.00 0.00 -2.08 0.00 0.00 39.78 37.71 2x8n n ASN 43 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2x8n n ASP 44 N 0.46 -3.91 -4.67 0.53 -0.08 0.08 -5.01 116.55 103.96 2x8n n ASP 44 Ca 0.14 -0.03 -0.42 0.00 -1.51 0.00 0.00 54.79 52.97 2x8n n ASP 44 Cb 0.33 -3.07 -0.03 0.00 2.34 0.00 0.00 41.12 40.69 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2x8n s ARG 45 N -4.69 4.30 -0.53 -0.67 3.52 -1.26 -4.74 118.95 114.87 2x8n s ARG 45 Ca 0.03 1.23 -0.24 0.00 -0.13 0.00 0.00 55.73 56.62 2x8n s ARG 45 Cb -0.01 -3.60 0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2x8n s ARG 45 CO 0.03 -0.47 0.93 -1.21 -0.81 0.00 0.00 175.30 173.77 2x8n s GLU 46 N 2.64 3.37 -0.40 5.12 8.01 -1.26 -1.39 118.70 134.79 2x8n s GLU 46 Ca 0.43 -0.19 -0.22 0.00 0.01 0.00 0.00 54.97 55.00 2x8n s GLU 46 Cb -0.16 -4.03 0.01 0.00 -4.31 0.00 0.00 34.13 25.65 2x8n s GLU 46 CO 0.10 -1.42 0.70 -0.51 0.01 0.00 0.00 175.26 174.15 2x8n s LEU 47 N 3.87 4.28 -0.45 1.80 1.43 -0.70 -4.89 118.68 124.03 2x8n s LEU 47 Ca 0.31 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 2x8n s LEU 47 Cb -0.12 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.31 2x8n s LEU 47 CO 0.21 -0.73 0.34 -0.75 0.23 0.00 0.00 176.35 175.65 2x8n s LYS 48 N 2.94 2.84 -0.02 1.70 2.20 -1.26 -1.25 119.74 126.88 2x8n s LYS 48 Ca 0.27 -1.39 0.01 0.00 -0.36 0.00 0.00 55.97 54.50 2x8n s LYS 48 Cb -0.14 -4.00 0.01 0.00 -1.51 0.00 0.00 37.83 32.20 2x8n s LYS 48 CO 0.18 -1.00 -0.03 -0.06 -0.36 0.00 0.00 175.35 174.09 2x8n s PHE 49 N 1.56 0.41 0.71 4.03 0.08 -0.78 -5.01 117.98 118.99 2x8n s PHE 49 Ca 0.04 -0.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 2x8n s PHE 49 Cb -0.24 -0.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.86 2x8n s PHE 49 CO 0.05 -0.08 1.07 1.03 -0.10 0.00 0.00 175.22 177.18 2x8n s ARG 50 N 0.50 2.77 0.33 0.44 3.00 -1.26 -0.82 118.95 123.91 2x8n s ARG 50 Ca -0.05 0.93 0.07 0.00 0.00 0.00 0.00 55.73 56.68 2x8n s ARG 50 Cb -0.08 -1.97 0.76 0.00 0.00 0.00 0.00 34.95 33.65 2x8n s ARG 50 CO -0.01 -1.21 1.84 -1.35 0.00 0.00 0.00 175.30 174.57 2x8n h PRO 51 N -0.80 0.74 0.00 3.54 0.11 -1.87 -1.94 132.00 131.79 2x8n h PRO 51 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2x8n h PRO 51 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2x8n h PRO 51 CO 0.57 0.49 0.00 0.38 -0.21 0.00 0.00 178.00 179.23 2x8n h ASP 52 N 0.76 0.00 -0.22 -2.05 3.04 -1.94 -2.70 116.42 113.31 2x8n h ASP 52 Ca 0.49 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 54.10 2x8n h ASP 52 Cb 0.74 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.03 2x8n h ASP 52 CO -0.26 0.00 -0.55 0.44 -2.04 0.00 0.00 179.24 176.83 2x8n h ASP 53 N 0.00 0.91 -2.68 4.15 5.19 -1.71 -3.47 116.42 118.80 2x8n h ASP 53 Ca 0.00 -0.49 -0.67 0.00 -0.62 0.00 0.00 57.03 55.25 2x8n h ASP 53 Cb 0.54 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 39.72 2x8n h ASP 53 CO 0.00 1.27 -0.49 -0.76 -3.12 0.00 0.00 179.24 176.14 2x8n s LEU 54 N -8.62 4.35 0.43 1.55 1.43 -1.10 -4.28 118.68 112.44 2x8n s LEU 54 Ca -0.10 0.45 0.13 0.00 -1.03 0.00 0.00 54.13 53.58 2x8n s LEU 54 Cb 0.10 -2.07 0.93 0.00 0.03 0.00 0.00 46.19 45.18 2x8n s LEU 54 CO 0.88 0.41 1.96 -0.61 0.23 0.00 0.00 176.35 179.22 2x8n h GLN 55 N 4.96 0.06 0.28 1.70 4.15 -1.82 -2.03 115.11 122.41 2x8n h GLN 55 Ca -0.55 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.85 2x8n h GLN 55 Cb 1.23 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2x8n h GLN 55 CO 0.58 0.24 -0.14 0.00 -1.93 0.00 0.00 178.83 177.58 2x8n h ALA 56 N 1.77 -0.38 -0.35 3.38 0.00 -1.86 -3.35 119.26 118.47 2x8n h ALA 56 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2x8n h ALA 56 Cb 0.35 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2x8n h ALA 56 CO 0.02 -0.71 0.00 0.25 0.00 0.00 0.00 179.25 178.81 2x8n n THR 57 N -5.26 0.65 -1.97 0.00 -2.24 -1.11 -4.79 114.28 99.57 2x8n n THR 57 Ca -0.10 -0.83 -0.33 0.00 -2.27 0.00 0.00 64.05 60.53 2x8n n THR 57 Cb 0.17 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.14 1.63 0.00 4.78 5.04 -0.78 -1.68 117.35 125.20 2x8n s TYR 58 Ca 0.30 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 2x8n s TYR 58 Cb 0.17 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.49 2x8n s TYR 58 CO 0.23 -2.09 0.00 0.41 -1.34 0.00 0.00 175.55 172.76 2x8n n GLY 59 N 6.19 0.97 3.21 8.97 0.00 -1.26 -5.06 105.19 118.21 2x8n n GLY 59 Ca 0.30 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.60 1.83 0.58 4.61 0.00 -0.68 -5.15 121.76 120.35 2x8n s ALA 60 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2x8n s ALA 60 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2x8n s ALA 60 CO 0.00 0.37 1.02 0.95 0.00 0.00 0.00 175.76 178.10 2x8n s THR 61 N -0.16 4.26 0.52 0.00 -4.23 -1.26 -4.95 115.64 109.82 2x8n s THR 61 Ca -0.01 0.98 0.18 0.00 -1.18 0.00 0.00 61.69 61.67 2x8n s THR 61 Cb -0.12 -3.59 0.30 0.00 1.34 0.00 0.00 72.50 70.43 2x8n s THR 61 CO 0.02 -0.72 2.11 1.55 -0.54 0.00 0.00 174.62 177.05 2x8n h PRO 62 N 0.38 0.00 -0.34 3.99 0.13 -2.00 -1.55 132.00 132.61 2x8n h PRO 62 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2x8n h PRO 62 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2x8n h PRO 62 CO 0.60 0.00 -0.09 1.05 -0.23 0.00 0.00 178.00 179.33 2x8n h GLU 63 N 0.00 0.58 0.00 0.86 9.09 -2.01 -1.79 114.58 121.30 2x8n h GLU 63 Ca 0.06 -0.16 0.00 0.00 0.05 0.00 0.00 59.36 59.31 2x8n h GLU 63 Cb 0.24 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 2x8n h GLU 63 CO -0.00 0.67 0.00 1.96 0.05 0.00 0.00 179.01 181.69 2x8n h GLN 64 N 0.54 0.00 -0.79 1.06 4.20 -1.66 -2.51 115.11 115.94 2x8n h GLN 64 Ca 0.10 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.60 2x8n h GLN 64 Cb 0.48 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.13 2x8n h GLN 64 CO 0.03 0.00 0.27 1.28 -0.67 0.00 0.00 178.83 179.73 2x8n n LEU 65 N -2.97 5.77 -0.04 1.46 4.77 -0.69 -3.73 117.00 121.57 2x8n n LEU 65 Ca 0.01 -3.00 -0.06 0.00 -0.03 0.00 0.00 56.01 52.93 2x8n n LEU 65 Cb 0.34 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 2x8n n LEU 65 CO 0.28 0.77 -0.78 0.54 -1.33 0.00 0.00 177.39 176.87 2x8n n ARG 66 N -0.13 0.21 -2.66 3.23 1.74 -0.95 -4.28 116.66 113.82 2x8n n ARG 66 Ca 0.38 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 57.09 2x8n n ARG 66 Cb 1.31 -1.12 -0.01 0.00 -1.02 0.00 0.00 32.46 31.63 2x8n n ARG 66 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2x8n s GLU 67 N -2.17 3.89 0.00 5.56 0.41 -1.22 -4.93 118.70 120.24 2x8n s GLU 67 Ca -0.11 -1.88 0.06 0.00 -0.41 0.00 0.00 54.97 52.63 2x8n s GLU 67 Cb 0.03 -5.38 -0.02 0.00 -1.78 0.00 0.00 34.13 26.99 2x8n s GLU 67 CO 0.19 -2.13 -0.18 0.42 -0.49 0.00 0.00 175.26 173.07 2x8n s ILE 68 N 3.86 1.41 0.04 -1.63 1.01 -1.26 -2.67 121.20 121.96 2x8n s ILE 68 Ca 0.49 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 2x8n s ILE 68 Cb 0.01 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2x8n s ILE 68 CO 0.01 0.31 -0.02 -0.70 0.00 0.00 0.00 174.94 174.55 2x8n s GLU 69 N -0.64 0.51 0.52 2.79 2.12 -0.97 -4.98 118.70 118.05 2x8n s GLU 69 Ca 0.06 -0.98 -0.21 0.00 0.36 0.00 0.00 54.97 54.20 2x8n s GLU 69 Cb -0.07 0.18 -0.06 0.00 0.26 0.00 0.00 34.13 34.44 2x8n s GLU 69 CO 0.00 -0.10 1.16 0.42 -0.54 0.00 0.00 175.26 176.20 2x8n s ILE 70 N -3.02 3.07 0.92 -3.70 -1.09 -1.26 -0.48 121.20 115.63 2x8n s ILE 70 Ca -0.01 0.72 -0.12 0.00 -2.23 0.00 0.00 60.65 59.00 2x8n s ILE 70 Cb 0.01 -3.32 0.06 0.00 -1.58 0.00 0.00 42.46 37.64 2x8n s ILE 70 CO -0.07 -0.09 0.64 -1.54 -1.23 0.00 0.00 174.94 172.65 2x8n n SER 71 N -1.02 -1.25 0.08 3.58 3.41 -0.77 -4.38 113.62 113.28 2x8n n SER 71 Ca 0.10 0.39 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 2x8n n SER 71 Cb 0.50 -1.29 0.40 0.00 -0.26 0.00 0.00 64.21 63.56 2x8n n SER 71 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2x8n n PRO 72 N -2.34 0.11 0.09 4.33 -0.04 -1.26 -1.40 135.00 134.48 2x8n n PRO 72 Ca 0.09 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 2x8n n PRO 72 Cb 0.53 -1.73 0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2x8n n PRO 72 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2x8n h SER 73 N 0.00 0.00 0.00 3.54 0.02 -1.96 -3.48 113.55 111.67 2x8n h SER 73 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2x8n h SER 73 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2x8n h SER 73 CO 0.00 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.37 2x8n n GLY 74 N 1.28 0.61 0.00 -3.77 0.00 -0.49 -4.88 105.19 97.94 2x8n n GLY 74 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.09 0.00 0.99 4.77 -1.26 -4.13 117.00 117.46 2x8n n LEU 75 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2x8n n LEU 75 Cb 0.04 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2x8n n LEU 75 CO 0.00 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 2x8n n GLY 76 N 1.82 0.65 3.33 -0.72 0.00 -1.26 -1.84 105.19 107.18 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 2.48 0.76 -0.23 1.61 0.11 -0.31 -1.85 120.40 122.98 2x8n s VAL 77 Ca 0.00 -2.00 -0.03 0.00 -2.93 0.00 0.00 61.98 57.02 2x8n s VAL 77 Cb 0.00 -2.54 0.11 0.00 -1.53 0.00 0.00 36.38 32.42 2x8n s VAL 77 CO 0.00 -0.12 0.25 -0.47 -3.33 0.00 0.00 175.10 171.42 2x8n s TYR 78 N -3.61 -0.33 -0.27 1.54 6.14 0.37 -2.37 117.35 118.82 2x8n s TYR 78 Ca 0.34 0.12 -0.24 0.00 0.64 0.00 0.00 57.07 57.92 2x8n s TYR 78 Cb 0.07 -0.38 -0.00 0.00 0.42 0.00 0.00 41.96 42.07 2x8n s TYR 78 CO 0.12 -0.70 0.83 -0.06 0.64 0.00 0.00 175.55 176.38 2x8n s PHE 79 N 2.34 3.26 0.03 4.97 0.08 -0.71 -2.28 117.98 125.68 2x8n s PHE 79 Ca 0.08 1.04 -0.18 0.00 0.12 0.00 0.00 56.93 57.99 2x8n s PHE 79 Cb -0.15 -3.15 -0.23 0.00 -0.57 0.00 0.00 43.02 38.92 2x8n s PHE 79 CO -0.19 -0.48 1.13 1.49 -0.10 0.00 0.00 175.22 177.08 2x8n h GLU 80 N 7.85 0.53 0.00 0.44 4.81 -1.80 0.07 114.58 126.48 2x8n h GLU 80 Ca -0.23 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.43 2x8n h GLU 80 Cb 1.09 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2x8n h GLU 80 CO 0.89 1.19 0.00 1.15 -0.73 0.00 0.00 179.01 181.51 2x8n h THR 81 N 0.09 0.00 0.00 0.32 2.02 -1.82 -1.48 112.91 112.04 2x8n h THR 81 Ca -0.10 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2x8n h THR 81 Cb 1.46 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2x8n h THR 81 CO 0.15 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.63 2x8n n LEU 82 N -2.58 0.23 -2.28 2.58 -0.00 -1.23 -5.02 117.00 108.71 2x8n n LEU 82 Ca 0.01 -0.43 -0.17 0.00 -0.00 0.00 0.00 56.01 55.41 2x8n n LEU 82 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 2x8n n LEU 82 CO 0.20 0.06 -0.22 -0.62 -0.00 0.00 0.00 177.39 176.82 2x8n n GLU 83 N -1.22 -1.82 -4.93 1.47 1.02 -0.06 -4.97 120.64 110.14 2x8n n GLU 83 Ca 0.01 0.88 -0.28 0.00 -0.02 0.00 0.00 57.16 57.75 2x8n n GLU 83 Cb 0.10 -5.47 -0.16 0.00 -0.02 0.00 0.00 31.44 25.88 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 -4.81 2.20 0.29 3.49 2.56 -0.78 -4.94 118.70 116.72 2x8n s GLU 84 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 54.97 54.37 2x8n s GLU 84 Cb 0.00 -1.79 -0.03 0.00 2.00 0.00 0.00 34.13 34.31 2x8n s GLU 84 CO 0.00 0.18 0.33 0.16 -0.56 0.00 0.00 175.26 175.38 2x8n s ASP 85 N 0.27 5.77 -0.31 -1.70 1.47 -1.26 -1.73 116.67 119.17 2x8n s ASP 85 Ca -0.11 -0.22 0.01 0.00 1.18 0.00 0.00 52.55 53.41 2x8n s ASP 85 Cb -0.15 -1.36 0.10 0.00 -0.34 0.00 0.00 42.92 41.17 2x8n s ASP 85 CO 0.05 -0.23 0.07 -0.69 0.68 0.00 0.00 175.17 175.04 2x8n s VAL 86 N -2.15 1.47 0.13 2.11 1.01 -1.00 -4.12 120.40 117.84 2x8n s VAL 86 Ca 0.38 -1.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.31 2x8n s VAL 86 Cb -0.08 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 2x8n s VAL 86 CO 0.28 -0.60 1.42 -0.44 0.00 0.00 0.00 175.10 175.76 2x8n s SER 87 N 1.33 6.78 0.07 3.32 0.01 -1.26 -1.16 113.70 122.79 2x8n s SER 87 Ca 0.09 2.38 -0.21 0.00 1.31 0.00 0.00 55.95 59.52 2x8n s SER 87 Cb -0.18 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.35 2x8n s SER 87 CO -0.17 -0.68 1.53 0.25 0.41 0.00 0.00 173.24 174.58 2x8n h LEU 88 N 6.76 0.26 -1.27 2.44 5.85 -1.89 -3.05 115.31 124.42 2x8n h LEU 88 Ca -0.42 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.12 2x8n h LEU 88 Cb 1.21 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 2x8n h LEU 88 CO 0.87 0.47 0.54 0.40 -0.34 0.00 0.00 178.44 180.38 2x8n h ILE 89 N 0.05 0.98 0.08 4.05 1.08 -1.92 0.95 117.51 122.78 2x8n h ILE 89 Ca 0.05 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2x8n h ILE 89 Cb 0.32 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 2x8n h ILE 89 CO 0.00 0.15 -0.12 1.23 -0.69 0.00 0.00 178.15 178.72 2x8n h GLY 90 N 0.83 -0.22 1.10 5.37 0.00 -1.77 -2.27 103.07 106.11 2x8n h GLY 90 Ca 0.38 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.88 2x8n h GLY 90 CO -0.15 -0.13 0.56 1.41 0.00 0.00 0.00 176.54 178.23 2x8n h LEU 91 N -0.25 0.93 -0.92 3.11 3.38 -0.66 0.35 115.31 121.25 2x8n h LEU 91 Ca 0.02 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2x8n h LEU 91 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2x8n h LEU 91 CO -0.07 0.65 -0.05 -0.07 0.09 0.00 0.00 178.44 179.00 2x8n h LEU 92 N 1.09 0.71 0.00 1.67 3.38 -1.06 -2.97 115.31 118.13 2x8n h LEU 92 Ca 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2x8n h LEU 92 Cb -0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2x8n h LEU 92 CO -0.09 0.81 -0.79 -0.33 0.09 0.00 0.00 178.44 178.14 2x8n h GLU 93 N 0.68 0.00 0.00 1.13 4.39 -0.71 -3.48 114.58 116.59 2x8n h GLU 93 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2x8n h GLU 93 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2x8n h GLU 93 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 2x8n n GLY 94 N 1.21 1.36 3.57 -3.84 0.00 0.49 -5.08 105.19 102.90 2x8n n GLY 94 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2x8n n GLY 94 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x8n s ARG 95 N -0.33 2.90 -0.07 1.61 3.52 0.95 -4.85 118.95 122.67 2x8n s ARG 95 Ca 0.00 0.86 0.09 0.00 -0.13 0.00 0.00 55.73 56.56 2x8n s ARG 95 Cb 0.00 -4.31 -0.24 0.00 -1.56 0.00 0.00 34.95 28.85 2x8n s ARG 95 CO 0.00 -2.40 0.58 0.54 -0.81 0.00 0.00 175.30 173.21 2x8n n ARG 96 N 8.89 0.66 -2.06 5.12 1.74 -1.26 -2.70 116.66 127.05 2x8n n ARG 96 Ca 0.21 0.28 -0.01 0.00 -0.77 0.00 0.00 57.85 57.55 2x8n n ARG 96 Cb 0.50 -1.77 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2x8n n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x8n n GLY 97 N 1.65 3.76 3.73 -0.13 0.00 -1.26 -3.02 105.19 109.92 2x8n n GLY 97 Ca -0.20 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 2x8n n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x8n s SER 98 N -1.16 4.45 0.24 1.61 1.04 -1.26 -4.78 113.70 113.83 2x8n s SER 98 Ca 0.03 2.32 -0.07 0.00 0.48 0.00 0.00 55.95 58.71 2x8n s SER 98 Cb 0.00 -2.59 0.28 0.00 0.10 0.00 0.00 66.02 63.81 2x8n s SER 98 CO 0.02 -2.09 1.87 0.00 0.98 0.00 0.00 173.24 174.02 2x8n h ALA 99 N -0.08 1.14 -0.35 5.32 0.00 -2.01 -0.82 119.26 122.47 2x8n h ALA 99 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2x8n h ALA 99 Cb 1.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2x8n h ALA 99 CO 0.51 0.37 0.22 1.57 0.00 0.00 0.00 179.25 181.92 2x8n h LYS 100 N 1.06 0.46 -0.38 0.00 2.10 -1.99 -2.26 116.57 115.55 2x8n h LYS 100 Ca 0.35 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 2x8n h LYS 100 Cb 0.04 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 2x8n h LYS 100 CO -0.13 0.33 0.24 2.35 -2.00 0.00 0.00 179.45 180.24 2x8n h TRP 101 N 0.46 0.49 0.00 0.07 7.01 -1.65 -1.83 115.95 120.50 2x8n h TRP 101 Ca 0.13 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 2x8n h TRP 101 Cb -0.02 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.87 2x8n h TRP 101 CO -0.05 0.34 -0.09 0.52 -2.79 0.00 0.00 178.44 176.37 2x8n h MET 102 N 0.51 0.00 0.07 2.65 2.86 -1.13 0.56 114.93 120.45 2x8n h MET 102 Ca 0.14 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.52 2x8n h MET 102 Cb -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2x8n h MET 102 CO -0.03 0.09 -1.27 0.00 1.06 0.00 0.00 176.91 176.76 2x8n h ALA 103 N 1.91 0.29 0.00 6.32 0.00 -0.77 -3.36 119.26 123.65 2x8n h ALA 103 Ca -0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 54.91 53.83 2x8n h ALA 103 Cb 0.55 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2x8n h ALA 103 CO 0.01 1.16 -1.54 0.39 0.00 0.00 0.00 179.25 179.27 2x8n n GLU 104 N -3.41 0.63 -3.89 0.00 1.02 -0.75 -4.57 120.64 109.67 2x8n n GLU 104 Ca -0.08 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.78 2x8n n GLU 104 Cb 1.00 -1.70 -0.13 0.00 -0.02 0.00 0.00 31.44 30.59 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 -3.21 3.29 0.79 -0.32 3.76 0.17 -5.09 115.29 114.68 2x8n s HIS 105 Ca -0.04 -3.02 -0.13 0.00 -0.15 0.00 0.00 55.06 51.71 2x8n s HIS 105 Cb 0.10 -2.94 0.07 0.00 1.11 0.00 0.00 32.58 30.93 2x8n s HIS 105 CO 0.84 -0.79 1.19 -1.25 -0.85 0.00 0.00 174.74 173.88 2x8n s PRO 106 N -0.12 1.76 0.09 8.40 0.04 -1.26 -4.55 135.00 139.37 2x8n s PRO 106 Ca 0.16 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.92 2x8n s PRO 106 Cb -0.24 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2x8n s PRO 106 CO -0.02 -2.11 -0.07 -1.17 0.04 0.00 0.00 177.00 173.68 2x8n s LEU 107 N -5.64 2.49 -0.09 -3.56 2.96 -1.26 -5.04 118.68 108.54 2x8n s LEU 107 Ca 0.72 -0.96 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2x8n s LEU 107 Cb -0.27 -0.09 0.24 0.00 0.50 0.00 0.00 46.19 46.56 2x8n s LEU 107 CO 0.50 -0.44 1.01 0.00 -1.32 0.00 0.00 176.35 176.11 2x8n n ALA 108 N 0.09 3.10 -1.82 5.97 0.00 -1.26 -5.21 120.51 121.38 2x8n n ALA 108 Ca -0.13 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2x8n n ALA 108 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2x8n n ALA 108 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95