#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 -1.49 -0.11 0.03 4.71 -1.26 -4.87 120.64 117.66 2x8n n GLU 2 Ca 0.00 1.18 0.11 0.00 -0.01 0.00 0.00 57.16 58.44 2x8n n GLU 2 Cb 0.00 -5.62 0.16 0.00 -1.01 0.00 0.00 31.44 24.97 2x8n n GLU 2 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2x8n n VAL 3 N -2.77 0.30 -2.06 2.62 0.24 -1.26 -4.83 118.33 110.57 2x8n n VAL 3 Ca -0.22 -0.65 -0.28 0.00 -2.04 0.00 0.00 64.34 61.16 2x8n n VAL 3 Cb 0.68 1.17 -0.06 0.00 -1.47 0.00 0.00 33.84 34.17 2x8n n VAL 3 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2x8n s SER 4 N -1.60 5.03 -0.01 -1.34 0.15 -1.26 -4.69 113.70 109.97 2x8n s SER 4 Ca 0.32 -1.47 -0.06 0.00 0.70 0.00 0.00 55.95 55.44 2x8n s SER 4 Cb 0.20 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2x8n s SER 4 CO 0.29 -3.04 0.12 0.00 1.20 0.00 0.00 173.24 171.81 2x8n s ALA 5 N 10.93 -0.29 0.40 5.45 0.00 -1.26 -5.06 121.76 131.93 2x8n s ALA 5 Ca 0.69 -0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.74 2x8n s ALA 5 Cb -0.02 0.01 0.82 0.00 0.00 0.00 0.00 23.12 23.93 2x8n s ALA 5 CO 0.11 -0.16 1.91 -2.95 0.00 0.00 0.00 175.76 174.67 2x8n h ASN 6 N 4.82 0.13 0.34 0.00 7.08 -1.99 -2.16 115.58 123.79 2x8n h ASN 6 Ca -0.29 -0.03 -0.12 0.00 -3.08 0.00 0.00 56.30 52.78 2x8n h ASN 6 Cb 1.20 -0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 37.39 2x8n h ASN 6 CO 0.41 0.34 -0.49 1.05 -2.08 0.00 0.00 177.43 176.65 2x8n h GLU 7 N 0.12 0.18 0.00 4.14 4.11 -1.97 -2.60 114.58 118.56 2x8n h GLU 7 Ca 0.02 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2x8n h GLU 7 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2x8n h GLU 7 CO 0.03 0.64 0.00 -0.07 0.07 0.00 0.00 179.01 179.67 2x8n h LEU 8 N 0.14 0.00 0.10 3.06 -0.00 -1.68 -3.47 115.31 113.46 2x8n h LEU 8 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.88 57.48 2x8n h LEU 8 Cb 0.92 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.41 2x8n h LEU 8 CO 0.07 0.00 -0.59 -1.84 -0.00 0.00 0.00 178.44 176.09 2x8n n GLU 9 N -3.02 -2.49 0.29 1.13 0.28 -0.97 -4.82 120.64 111.05 2x8n n GLU 9 Ca 0.02 0.27 0.17 0.00 -0.16 0.00 0.00 57.16 57.46 2x8n n GLU 9 Cb 0.40 -4.91 0.96 0.00 1.43 0.00 0.00 31.44 29.32 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 1.48 0.48 -1.84 0.00 -1.87 -1.35 119.26 117.09 2x8n h ALA 10 Ca -0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2x8n h ALA 10 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2x8n h ALA 10 CO 0.57 -0.05 -0.23 0.00 0.00 0.00 0.00 179.25 179.54 2x8n h ALA 11 N 1.95 -0.64 -0.72 0.00 0.00 -1.92 -2.09 119.26 115.85 2x8n h ALA 11 Ca 0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2x8n h ALA 11 Cb 0.09 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2x8n h ALA 11 CO -0.00 -0.67 0.18 0.66 0.00 0.00 0.00 179.25 179.42 2x8n h SER 12 N -1.03 1.09 -0.55 0.00 4.64 -1.74 -2.24 113.55 113.72 2x8n h SER 12 Ca -0.07 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2x8n h SER 12 Cb 0.58 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2x8n h SER 12 CO 0.11 1.04 0.36 -1.28 -0.87 0.00 0.00 176.83 176.18 2x8n h SER 13 N 1.09 0.64 -0.09 4.97 0.87 -1.40 -2.67 113.55 116.96 2x8n h SER 13 Ca 0.23 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2x8n h SER 13 Cb 0.37 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2x8n h SER 13 CO 0.00 0.48 0.06 -0.09 -0.53 0.00 0.00 176.83 176.74 2x8n h ARG 14 N 0.75 0.13 -0.92 2.24 2.43 -0.93 -1.97 114.38 116.11 2x8n h ARG 14 Ca 0.20 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 2x8n h ARG 14 Cb -0.07 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 2x8n h ARG 14 CO -0.04 0.12 0.59 0.52 -1.51 0.00 0.00 179.97 179.64 2x8n h MET 15 N 0.10 1.08 -0.48 0.20 2.86 -1.30 -0.23 114.93 117.17 2x8n h MET 15 Ca 0.03 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2x8n h MET 15 Cb 0.02 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 2x8n h MET 15 CO -0.01 0.72 -0.03 1.49 1.06 0.00 0.00 176.91 180.14 2x8n h GLU 16 N 1.12 0.87 -0.64 1.72 4.57 -1.37 -2.32 114.58 118.51 2x8n h GLU 16 Ca 0.38 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2x8n h GLU 16 Cb 0.06 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2x8n h GLU 16 CO -0.14 0.92 0.31 0.52 -1.18 0.00 0.00 179.01 179.45 2x8n h MET 17 N 0.72 0.91 -0.19 1.92 2.86 -0.54 -2.39 114.93 118.22 2x8n h MET 17 Ca 0.13 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2x8n h MET 17 Cb 0.55 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2x8n h MET 17 CO 0.03 0.70 -0.21 -0.07 1.06 0.00 0.00 176.91 178.42 2x8n h LEU 18 N 0.91 0.32 -0.29 1.22 3.38 -0.83 0.24 115.31 120.27 2x8n h LEU 18 Ca 0.22 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2x8n h LEU 18 Cb 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2x8n h LEU 18 CO -0.03 0.55 0.06 1.56 0.09 0.00 0.00 178.44 180.68 2x8n h GLN 19 N 0.30 0.47 0.00 1.13 4.20 -0.91 -2.15 115.11 118.15 2x8n h GLN 19 Ca 0.05 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2x8n h GLN 19 Cb 0.55 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2x8n h GLN 19 CO 0.04 0.56 -0.42 0.07 -0.67 0.00 0.00 178.83 178.40 2x8n h ARG 20 N 0.30 0.00 0.00 1.46 0.11 -1.36 -3.22 114.38 111.67 2x8n h ARG 20 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2x8n h ARG 20 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2x8n h ARG 20 CO 0.00 0.00 -0.00 1.49 0.10 0.00 0.00 179.97 181.56 2x8n h GLU 21 N 0.00 0.00 0.00 0.08 4.57 -0.93 -3.45 114.58 114.85 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 0.90 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2x8n h GLU 21 CO 0.00 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 2x8n n TYR 22 N -2.04 0.00 -3.61 0.92 4.02 -0.81 -5.08 117.16 110.55 2x8n n TYR 22 Ca -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2x8n n TYR 22 Cb 0.00 -0.24 -0.01 0.00 -0.02 0.00 0.00 39.34 39.07 2x8n n TYR 22 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2x8n s SER 23 N -2.17 -0.01 0.27 7.72 1.04 -1.22 -5.01 113.70 114.32 2x8n s SER 23 Ca 0.00 -0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.51 2x8n s SER 23 Cb 0.00 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2x8n s SER 23 CO 0.00 -0.01 0.12 0.42 0.98 0.00 0.00 173.24 174.75 2x8n s THR 24 N -2.02 3.90 -0.13 2.02 -4.23 -1.25 -4.48 115.64 109.45 2x8n s THR 24 Ca 0.13 -1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 58.83 2x8n s THR 24 Cb 0.02 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 2x8n s THR 24 CO -0.04 -0.34 0.47 -0.22 -0.54 0.00 0.00 174.62 173.96 2x8n s LEU 25 N -3.78 4.26 -0.22 4.79 2.96 -0.43 -0.87 118.68 125.39 2x8n s LEU 25 Ca 0.33 0.78 0.06 0.00 -0.22 0.00 0.00 54.13 55.08 2x8n s LEU 25 Cb -0.07 -2.68 -0.20 0.00 0.50 0.00 0.00 46.19 43.74 2x8n s LEU 25 CO 0.23 -0.02 -0.04 -2.11 -1.32 0.00 0.00 176.35 173.09 2x8n n ARG 26 N 3.82 0.67 -3.81 1.98 1.85 -0.70 -4.85 116.66 115.62 2x8n n ARG 26 Ca -0.07 0.13 -0.09 0.00 -1.00 0.00 0.00 57.85 56.81 2x8n n ARG 26 Cb 0.51 -1.55 -0.04 0.00 -1.05 0.00 0.00 32.46 30.33 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 -6.27 -0.21 0.01 2.89 0.01 -0.96 -5.00 113.70 104.17 2x8n s SER 27 Ca -0.25 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2x8n s SER 27 Cb 0.08 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.88 2x8n s SER 27 CO 0.69 -1.08 -0.02 -0.69 0.41 0.00 0.00 173.24 172.55 2x8n s VAL 28 N -3.91 0.10 -0.19 3.43 1.01 -1.26 -0.50 120.40 119.09 2x8n s VAL 28 Ca 0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2x8n s VAL 28 Cb -0.01 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 36.28 2x8n s VAL 28 CO 0.00 -0.27 0.25 0.00 0.00 0.00 0.00 175.10 175.09 2x8n s GLN 29 N -0.82 0.20 -0.59 2.72 -2.07 -0.34 -4.97 119.66 113.78 2x8n s GLN 29 Ca -0.08 0.39 -0.27 0.00 -1.82 0.00 0.00 55.36 53.57 2x8n s GLN 29 Cb -0.06 -0.81 0.00 0.00 -1.09 0.00 0.00 33.01 31.06 2x8n s GLN 29 CO -0.00 -0.56 1.59 -0.47 -1.32 0.00 0.00 175.29 174.52 2x8n s TYR 30 N 2.38 2.02 -0.78 9.60 6.14 -1.26 -1.19 117.35 134.26 2x8n s TYR 30 Ca 0.06 0.51 -0.26 0.00 0.64 0.00 0.00 57.07 58.03 2x8n s TYR 30 Cb -0.15 -4.30 0.04 0.00 0.42 0.00 0.00 41.96 37.97 2x8n s TYR 30 CO -0.12 -2.20 1.29 1.03 0.64 0.00 0.00 175.55 176.19 2x8n s ARG 31 N 6.11 3.25 0.19 4.97 0.52 0.16 -4.86 118.95 129.30 2x8n s ARG 31 Ca 0.57 -0.43 0.22 0.00 -0.52 0.00 0.00 55.73 55.57 2x8n s ARG 31 Cb -0.12 -4.38 0.90 0.00 0.52 0.00 0.00 34.95 31.87 2x8n s ARG 31 CO 0.23 -2.14 1.67 -1.13 0.02 0.00 0.00 175.30 173.95 2x8n n SER 32 N 9.17 0.52 -0.34 0.23 3.41 -1.26 -0.87 113.62 124.48 2x8n n SER 32 Ca 0.08 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.32 2x8n n SER 32 Cb 0.49 -0.73 0.15 0.00 -0.26 0.00 0.00 64.21 63.86 2x8n n SER 32 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2x8n h GLU 33 N 0.00 1.03 0.00 4.33 4.81 -1.95 -3.30 114.58 119.50 2x8n h GLU 33 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2x8n h GLU 33 Cb 0.37 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2x8n h GLU 33 CO 0.00 0.68 -1.42 0.39 -0.73 0.00 0.00 179.01 177.93 2x8n n GLU 34 N -4.57 0.85 -2.62 1.92 1.02 -1.05 -5.02 120.64 111.18 2x8n n GLU 34 Ca 0.14 -0.06 -0.05 0.00 -0.02 0.00 0.00 57.16 57.17 2x8n n GLU 34 Cb 0.18 -1.20 0.01 0.00 -0.02 0.00 0.00 31.44 30.41 2x8n n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x8n n GLY 35 N 2.14 0.58 3.19 0.62 0.00 -0.05 -5.08 105.19 106.59 2x8n n GLY 35 Ca -0.04 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.92 1.61 -0.28 1.61 -7.23 -0.88 -4.29 120.40 108.01 2x8n s VAL 36 Ca 0.10 -0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 59.15 2x8n s VAL 36 Cb -0.04 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.55 2x8n s VAL 36 CO 0.12 0.46 1.02 -0.63 -0.31 0.00 0.00 175.10 175.76 2x8n s ILE 37 N -0.18 4.63 -0.39 -0.62 1.01 0.78 -0.66 121.20 125.76 2x8n s ILE 37 Ca 0.00 1.79 -0.11 0.00 0.00 0.00 0.00 60.65 62.34 2x8n s ILE 37 Cb -0.11 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 38.08 2x8n s ILE 37 CO 0.01 -0.31 0.24 -0.69 0.00 0.00 0.00 174.94 174.19 2x8n s VAL 38 N 3.35 4.60 -0.65 2.92 1.01 -0.33 -2.26 120.40 129.05 2x8n s VAL 38 Ca 0.43 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 2x8n s VAL 38 Cb -0.14 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.66 2x8n s VAL 38 CO 0.11 -0.33 1.01 -0.36 0.00 0.00 0.00 175.10 175.53 2x8n s PHE 39 N 1.54 2.63 -0.41 5.22 0.08 0.40 -1.20 117.98 126.24 2x8n s PHE 39 Ca 0.02 -0.35 -0.29 0.00 0.12 0.00 0.00 56.93 56.44 2x8n s PHE 39 Cb -0.20 -4.30 0.02 0.00 -0.57 0.00 0.00 43.02 37.96 2x8n s PHE 39 CO 0.06 -1.66 1.30 0.42 -0.10 0.00 0.00 175.22 175.24 2x8n s ILE 40 N 4.32 4.06 0.92 0.64 1.01 0.35 -1.17 121.20 131.32 2x8n s ILE 40 Ca 0.26 1.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.89 2x8n s ILE 40 Cb -0.14 -4.34 0.14 0.00 0.01 0.00 0.00 42.46 38.13 2x8n s ILE 40 CO 0.13 -0.79 1.10 -0.76 0.00 0.00 0.00 174.94 174.62 2x8n s LEU 41 N 4.91 2.06 0.36 2.97 1.43 -0.53 -1.72 118.68 128.15 2x8n s LEU 41 Ca 0.56 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.98 2x8n s LEU 41 Cb -0.12 -3.64 0.69 0.00 0.03 0.00 0.00 46.19 43.15 2x8n s LEU 41 CO 0.30 -2.68 1.99 0.00 0.23 0.00 0.00 176.35 176.19 2x8n h ALA 42 N -1.58 1.63 -0.24 4.21 0.00 -1.33 0.38 119.26 122.32 2x8n h ALA 42 Ca -0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2x8n h ALA 42 Cb 1.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2x8n h ALA 42 CO 0.57 0.30 0.01 0.27 0.00 0.00 0.00 179.25 180.41 2x8n n ASN 43 N -4.46 2.94 -0.73 0.00 6.94 -1.26 -4.90 115.26 113.78 2x8n n ASN 43 Ca 0.08 -2.39 -0.10 0.00 -0.02 0.00 0.00 54.58 52.16 2x8n n ASN 43 Cb 0.13 -0.58 -0.04 0.00 -2.36 0.00 0.00 39.78 36.93 2x8n n ASN 43 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2x8n n ASP 44 N 0.23 -5.42 -4.67 0.53 8.00 0.12 -4.96 116.55 110.39 2x8n n ASP 44 Ca 0.12 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.43 2x8n n ASP 44 Cb 0.65 -3.76 -0.02 0.00 -0.02 0.00 0.00 41.12 37.97 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 -2.69 4.30 -0.64 -1.24 3.52 -1.26 -4.70 118.95 116.24 2x8n s ARG 45 Ca 0.00 1.37 -0.25 0.00 -0.13 0.00 0.00 55.73 56.73 2x8n s ARG 45 Cb 0.00 -3.62 0.05 0.00 -1.56 0.00 0.00 34.95 29.82 2x8n s ARG 45 CO 0.00 -0.55 1.06 -1.21 -0.81 0.00 0.00 175.30 173.79 2x8n s GLU 46 N 2.91 3.23 0.16 5.12 2.02 -1.26 -1.46 118.70 129.42 2x8n s GLU 46 Ca 0.45 -0.41 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 2x8n s GLU 46 Cb -0.16 -4.14 -0.07 0.00 0.10 0.00 0.00 34.13 29.86 2x8n s GLU 46 CO 0.09 -1.79 1.04 -0.51 0.02 0.00 0.00 175.26 174.11 2x8n s LEU 47 N 4.54 4.51 -0.25 1.80 1.43 -0.32 -4.89 118.68 125.50 2x8n s LEU 47 Ca 0.30 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 2x8n s LEU 47 Cb -0.12 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.57 2x8n s LEU 47 CO 0.16 -0.13 0.00 -0.75 0.23 0.00 0.00 176.35 175.85 2x8n s LYS 48 N -0.32 1.27 -0.02 1.70 2.20 -1.26 -0.45 119.74 122.86 2x8n s LYS 48 Ca 0.48 -1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2x8n s LYS 48 Cb -0.27 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2x8n s LYS 48 CO 0.33 -0.72 0.03 -0.06 -0.36 0.00 0.00 175.35 174.58 2x8n s PHE 49 N 1.46 -0.02 0.54 4.03 0.08 -0.96 -5.02 117.98 118.10 2x8n s PHE 49 Ca -0.00 0.11 -0.18 0.00 0.12 0.00 0.00 56.93 56.97 2x8n s PHE 49 Cb -0.18 -0.06 -0.06 0.00 -0.57 0.00 0.00 43.02 42.15 2x8n s PHE 49 CO -0.10 -0.04 1.08 1.03 -0.10 0.00 0.00 175.22 177.08 2x8n s ARG 50 N 0.37 3.45 0.17 0.44 0.52 -1.26 -0.16 118.95 122.48 2x8n s ARG 50 Ca -0.03 1.41 -0.15 0.00 -0.52 0.00 0.00 55.73 56.44 2x8n s ARG 50 Cb -0.04 -2.04 0.12 0.00 0.52 0.00 0.00 34.95 33.51 2x8n s ARG 50 CO -0.01 -0.73 1.71 -1.35 0.02 0.00 0.00 175.30 174.94 2x8n h PRO 51 N 1.05 0.15 0.00 3.54 0.11 -1.87 -2.32 132.00 132.67 2x8n h PRO 51 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2x8n h PRO 51 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2x8n h PRO 51 CO 0.57 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 2x8n n ASP 52 N -5.15 0.00 0.02 -2.05 5.75 -1.26 -1.70 116.55 112.16 2x8n n ASP 52 Ca 0.03 0.01 -0.06 0.00 -0.01 0.00 0.00 54.79 54.77 2x8n n ASP 52 Cb 0.21 -0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 39.89 2x8n n ASP 52 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2x8n h ASP 53 N 0.00 0.00 -2.71 -1.12 3.45 -1.76 -3.47 116.42 110.82 2x8n h ASP 53 Ca 0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 2x8n h ASP 53 Cb 0.20 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 2x8n h ASP 53 CO 0.00 0.88 -0.41 -0.76 -1.57 0.00 0.00 179.24 177.37 2x8n s LEU 54 N -6.19 4.30 0.09 1.55 1.43 -0.69 -4.81 118.68 114.36 2x8n s LEU 54 Ca -0.02 0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 2x8n s LEU 54 Cb 0.09 -3.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 2x8n s LEU 54 CO 0.82 0.02 1.52 -0.61 0.23 0.00 0.00 176.35 178.33 2x8n h GLN 55 N 2.18 0.46 -0.84 1.70 4.15 -1.40 -2.11 115.11 119.25 2x8n h GLN 55 Ca -0.48 -0.15 0.11 0.00 0.77 0.00 0.00 58.65 58.90 2x8n h GLN 55 Cb 1.19 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.76 2x8n h GLN 55 CO 0.69 0.63 0.47 0.00 -1.93 0.00 0.00 178.83 178.69 2x8n h ALA 56 N 0.81 1.22 -0.07 3.38 0.00 -1.84 -3.22 119.26 119.55 2x8n h ALA 56 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2x8n h ALA 56 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2x8n h ALA 56 CO 0.01 0.06 -0.08 0.25 0.00 0.00 0.00 179.25 179.49 2x8n n THR 57 N -4.77 2.05 -2.40 0.00 -2.24 -1.19 -4.78 114.28 100.95 2x8n n THR 57 Ca 0.15 -2.38 -0.37 0.00 -2.27 0.00 0.00 64.05 59.18 2x8n n THR 57 Cb 0.32 -0.25 -0.03 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 -2.95 2.42 0.00 4.78 5.04 -0.80 -2.25 117.35 123.60 2x8n s TYR 58 Ca 0.35 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2x8n s TYR 58 Cb 0.31 -4.49 0.00 0.00 0.35 0.00 0.00 41.96 38.13 2x8n s TYR 58 CO 0.02 -1.69 0.00 0.41 -1.34 0.00 0.00 175.55 172.95 2x8n n GLY 59 N 6.00 1.79 3.77 8.97 0.00 -1.26 -5.06 105.19 119.39 2x8n n GLY 59 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.07 3.36 0.39 4.61 0.00 -0.95 -5.03 121.76 122.07 2x8n s ALA 60 Ca 0.00 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 2x8n s ALA 60 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2x8n s ALA 60 CO 0.00 -0.65 0.82 0.95 0.00 0.00 0.00 175.76 176.88 2x8n s THR 61 N -1.22 4.63 0.60 0.00 -4.23 -1.26 -4.98 115.64 109.18 2x8n s THR 61 Ca 0.52 1.00 0.37 0.00 -1.18 0.00 0.00 61.69 62.41 2x8n s THR 61 Cb -0.37 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.21 2x8n s THR 61 CO 0.49 -0.37 2.29 1.55 -0.54 0.00 0.00 174.62 178.03 2x8n h PRO 62 N 1.73 0.00 -0.17 3.99 0.13 -1.96 -1.15 132.00 134.57 2x8n h PRO 62 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2x8n h PRO 62 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2x8n h PRO 62 CO 0.64 0.01 -0.30 1.05 -0.23 0.00 0.00 178.00 179.16 2x8n h GLU 63 N 0.00 0.33 0.00 0.86 4.11 -2.02 -2.34 114.58 115.52 2x8n h GLU 63 Ca -0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 2x8n h GLU 63 Cb 0.05 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2x8n h GLU 63 CO 0.00 0.61 -0.04 1.96 0.07 0.00 0.00 179.01 181.61 2x8n h GLN 64 N 0.29 0.00 -0.86 1.06 4.20 -1.60 -3.14 115.11 115.07 2x8n h GLN 64 Ca 0.04 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.55 2x8n h GLN 64 Cb 0.68 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.34 2x8n h GLN 64 CO 0.05 0.04 0.26 1.28 -0.67 0.00 0.00 178.83 179.79 2x8n n LEU 65 N -3.12 5.14 -0.10 1.46 4.77 -0.89 -3.33 117.00 120.93 2x8n n LEU 65 Ca 0.03 -2.68 -0.19 0.00 -0.03 0.00 0.00 56.01 53.14 2x8n n LEU 65 Cb 0.46 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 2x8n n LEU 65 CO 0.32 0.72 -1.19 0.54 -1.33 0.00 0.00 177.39 176.46 2x8n n ARG 66 N -0.16 0.46 -2.68 3.23 1.74 -1.18 -4.56 116.66 113.52 2x8n n ARG 66 Ca 0.33 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 2x8n n ARG 66 Cb 1.17 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 31.27 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 -2.39 3.67 -0.10 5.56 0.41 -1.21 -4.93 118.70 119.71 2x8n s GLU 67 Ca -0.28 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 52.82 2x8n s GLU 67 Cb 0.09 -5.25 0.02 0.00 -1.78 0.00 0.00 34.13 27.21 2x8n s GLU 67 CO 0.40 -2.08 -0.09 0.42 -0.49 0.00 0.00 175.26 173.43 2x8n s ILE 68 N 4.13 1.04 0.40 -1.63 1.01 -1.26 -1.21 121.20 123.68 2x8n s ILE 68 Ca 0.43 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.83 2x8n s ILE 68 Cb -0.01 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2x8n s ILE 68 CO -0.07 0.36 0.26 -0.70 0.00 0.00 0.00 174.94 174.79 2x8n s GLU 69 N 1.43 2.40 0.57 2.79 2.12 -0.60 -4.93 118.70 122.48 2x8n s GLU 69 Ca -0.00 -1.65 -0.13 0.00 0.36 0.00 0.00 54.97 53.55 2x8n s GLU 69 Cb -0.13 -2.20 -0.06 0.00 0.26 0.00 0.00 34.13 32.00 2x8n s GLU 69 CO -0.05 -0.11 1.00 0.42 -0.54 0.00 0.00 175.26 175.98 2x8n s ILE 70 N -2.51 4.65 0.53 -3.70 -1.09 -1.26 -0.83 121.20 116.99 2x8n s ILE 70 Ca 0.44 0.98 -0.20 0.00 -2.23 0.00 0.00 60.65 59.64 2x8n s ILE 70 Cb -0.00 -3.81 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 2x8n s ILE 70 CO 0.25 -0.95 0.63 -1.20 -1.23 0.00 0.00 174.94 172.44 2x8n n SER 71 N -2.26 -0.56 0.30 3.58 7.64 -1.03 -3.77 113.62 117.52 2x8n n SER 71 Ca 0.06 0.81 0.20 0.00 1.01 0.00 0.00 58.87 60.95 2x8n n SER 71 Cb 0.54 -1.20 0.94 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.52 0.00 0.00 1.43 0.13 -1.94 -0.35 132.00 131.78 2x8n h PRO 72 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 2x8n h PRO 72 Cb 1.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 2x8n h PRO 72 CO 0.49 0.00 -0.59 0.77 -0.23 0.00 0.00 178.00 178.45 2x8n h SER 73 N 0.00 0.00 0.00 1.44 0.02 -1.98 -3.48 113.55 109.55 2x8n h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2x8n h SER 73 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2x8n h SER 73 CO 0.00 0.59 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 2x8n n GLY 74 N 1.13 1.15 0.00 -3.77 0.00 -0.14 -4.98 105.19 98.58 2x8n n GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.12 0.00 0.99 4.77 -1.26 -3.47 117.00 119.15 2x8n n LEU 75 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2x8n n LEU 75 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2x8n n LEU 75 CO 0.00 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 2x8n n GLY 76 N 0.84 0.38 3.11 -0.72 0.00 -1.26 -1.31 105.19 106.23 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 2.47 0.48 -0.32 1.61 0.11 -0.50 -2.48 120.40 121.77 2x8n s VAL 77 Ca 0.00 -1.64 -0.02 0.00 -2.93 0.00 0.00 61.98 57.40 2x8n s VAL 77 Cb 0.00 -1.30 0.11 0.00 -1.53 0.00 0.00 36.38 33.66 2x8n s VAL 77 CO 0.00 -0.78 0.14 -0.47 -3.33 0.00 0.00 175.10 170.66 2x8n s TYR 78 N -3.06 1.07 -0.10 1.54 6.14 -0.01 -2.00 117.35 120.93 2x8n s TYR 78 Ca 0.04 -1.46 -0.30 0.00 0.64 0.00 0.00 57.07 55.99 2x8n s TYR 78 Cb 0.02 -1.31 -0.04 0.00 0.42 0.00 0.00 41.96 41.05 2x8n s TYR 78 CO -0.05 -0.84 1.41 -0.06 0.64 0.00 0.00 175.55 176.65 2x8n s PHE 79 N 1.60 2.57 -0.03 4.97 0.08 0.41 -1.56 117.98 126.01 2x8n s PHE 79 Ca 0.11 0.71 -0.24 0.00 0.12 0.00 0.00 56.93 57.64 2x8n s PHE 79 Cb -0.18 -3.67 -0.21 0.00 -0.57 0.00 0.00 43.02 38.39 2x8n s PHE 79 CO -0.23 -2.53 1.13 1.49 -0.10 0.00 0.00 175.22 174.97 2x8n h GLU 80 N 8.55 0.18 -0.53 0.44 4.81 -1.45 0.20 114.58 126.78 2x8n h GLU 80 Ca -0.33 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2x8n h GLU 80 Cb 1.14 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2x8n h GLU 80 CO 0.95 0.81 0.35 1.15 -0.73 0.00 0.00 179.01 181.54 2x8n h THR 81 N -0.41 1.10 0.00 0.32 2.02 -1.80 -2.32 112.91 111.82 2x8n h THR 81 Ca -0.01 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2x8n h THR 81 Cb 0.85 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2x8n h THR 81 CO 0.04 0.12 -1.23 0.00 0.37 0.00 0.00 175.52 174.82 2x8n n LEU 82 N -4.46 0.51 -2.30 2.58 -0.00 -1.24 -4.99 117.00 107.10 2x8n n LEU 82 Ca 0.05 -0.31 -0.20 0.00 -0.00 0.00 0.00 56.01 55.56 2x8n n LEU 82 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.49 2x8n n LEU 82 CO 0.35 0.13 -0.25 -0.62 -0.00 0.00 0.00 177.39 177.00 2x8n n GLU 83 N -1.70 -1.72 -4.19 1.47 1.02 0.63 -4.98 120.64 111.17 2x8n n GLU 83 Ca 0.01 0.99 -0.36 0.00 -0.02 0.00 0.00 57.16 57.78 2x8n n GLU 83 Cb 0.36 -5.61 -0.08 0.00 -0.02 0.00 0.00 31.44 26.08 2x8n n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2x8n s GLU 84 N -4.88 3.16 -0.15 3.49 0.41 -0.80 -4.89 118.70 115.05 2x8n s GLU 84 Ca 0.00 -0.30 -0.04 0.00 -0.41 0.00 0.00 54.97 54.21 2x8n s GLU 84 Cb 0.00 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.37 2x8n s GLU 84 CO 0.00 0.73 -0.01 0.34 -0.49 0.00 0.00 175.26 175.83 2x8n s ASP 85 N -0.92 5.09 -0.46 -0.19 2.15 -1.26 -0.45 116.67 120.63 2x8n s ASP 85 Ca 0.14 -0.02 -0.09 0.00 0.43 0.00 0.00 52.55 53.01 2x8n s ASP 85 Cb -0.12 -1.75 0.11 0.00 -0.30 0.00 0.00 42.92 40.87 2x8n s ASP 85 CO 0.03 0.22 0.32 -0.69 -0.17 0.00 0.00 175.17 174.88 2x8n s VAL 86 N 0.08 4.15 0.07 1.11 1.01 -0.85 -4.46 120.40 121.51 2x8n s VAL 86 Ca 0.02 -1.75 -0.31 0.00 0.00 0.00 0.00 61.98 59.94 2x8n s VAL 86 Cb -0.13 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2x8n s VAL 86 CO 0.02 -0.73 1.60 -0.55 0.00 0.00 0.00 175.10 175.44 2x8n s SER 87 N 2.54 6.64 0.22 3.32 0.15 -1.26 -1.41 113.70 123.89 2x8n s SER 87 Ca 0.05 2.45 -0.09 0.00 0.70 0.00 0.00 55.95 59.06 2x8n s SER 87 Cb -0.26 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.66 2x8n s SER 87 CO -0.01 -0.85 1.85 0.25 1.20 0.00 0.00 173.24 175.68 2x8n h LEU 88 N 8.30 0.99 -0.98 3.45 5.85 -1.89 -2.82 115.31 128.21 2x8n h LEU 88 Ca -0.42 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 2x8n h LEU 88 Cb 1.20 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2x8n h LEU 88 CO 0.92 0.78 0.10 0.40 -0.34 0.00 0.00 178.44 180.30 2x8n h ILE 89 N 1.12 1.23 -0.73 4.05 1.08 -1.92 -1.60 117.51 120.74 2x8n h ILE 89 Ca 0.29 -0.87 0.04 0.00 -0.39 0.00 0.00 64.86 63.93 2x8n h ILE 89 Cb -0.02 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.40 2x8n h ILE 89 CO -0.05 0.32 0.46 1.23 -0.69 0.00 0.00 178.15 179.42 2x8n h GLY 90 N 0.98 1.06 1.25 5.37 0.00 -1.76 0.28 103.07 110.25 2x8n h GLY 90 Ca 0.17 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 2x8n h GLY 90 CO 0.00 0.28 0.18 1.41 0.00 0.00 0.00 176.54 178.41 2x8n h LEU 91 N 0.88 0.88 -0.86 3.11 3.38 -1.21 0.27 115.31 121.76 2x8n h LEU 91 Ca 0.30 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2x8n h LEU 91 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2x8n h LEU 91 CO -0.12 0.84 -0.20 -0.07 0.09 0.00 0.00 178.44 178.98 2x8n h LEU 92 N 0.91 0.00 0.00 1.67 3.38 -0.81 -2.46 115.31 118.00 2x8n h LEU 92 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2x8n h LEU 92 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2x8n h LEU 92 CO -0.01 0.20 -0.56 -0.62 0.09 0.00 0.00 178.44 177.54 2x8n n GLU 93 N -3.28 0.25 -0.13 1.13 1.02 0.04 -4.96 120.64 114.71 2x8n n GLU 93 Ca 0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2x8n n GLU 93 Cb 0.47 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2x8n n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x8n n GLY 94 N 1.36 1.11 3.68 0.62 0.00 -0.03 -5.04 105.19 106.88 2x8n n GLY 94 Ca 0.04 0.00 -0.43 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 -0.57 4.32 -0.03 1.61 3.52 0.76 -4.92 118.95 123.64 2x8n s ARG 95 Ca 0.00 1.59 0.03 0.00 -0.13 0.00 0.00 55.73 57.22 2x8n s ARG 95 Cb 0.00 -3.62 0.15 0.00 -1.56 0.00 0.00 34.95 29.93 2x8n s ARG 95 CO 0.00 -0.51 0.89 0.54 -0.81 0.00 0.00 175.30 175.41 2x8n n ARG 96 N 5.65 1.62 0.00 5.12 1.74 -1.26 -3.28 116.66 126.25 2x8n n ARG 96 Ca 0.11 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 2x8n n ARG 96 Cb 0.46 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.36 -0.39 3.91 -0.13 0.00 -1.26 -1.10 105.19 106.57 2x8n n GLY 97 Ca 0.05 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.00 6.42 0.30 1.61 0.15 -1.26 -4.95 113.70 111.97 2x8n s SER 98 Ca 0.00 0.43 0.04 0.00 0.70 0.00 0.00 55.95 57.12 2x8n s SER 98 Cb 0.00 -2.03 0.48 0.00 -1.71 0.00 0.00 66.02 62.76 2x8n s SER 98 CO 0.00 0.08 1.75 0.00 1.20 0.00 0.00 173.24 176.27 2x8n h ALA 99 N 2.76 1.17 -0.19 5.45 0.00 -1.99 -1.90 119.26 124.56 2x8n h ALA 99 Ca -0.46 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2x8n h ALA 99 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2x8n h ALA 99 CO 0.73 0.53 0.12 -0.22 0.00 0.00 0.00 179.25 180.41 2x8n h LYS 100 N 0.37 0.25 0.01 0.00 3.64 -2.00 -2.50 116.57 116.34 2x8n h LYS 100 Ca 0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2x8n h LYS 100 Cb 0.63 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2x8n h LYS 100 CO 0.05 0.19 -0.12 2.35 -2.27 0.00 0.00 179.45 179.65 2x8n h TRP 101 N 0.24 -0.31 -0.30 1.91 7.01 -1.91 -2.69 115.95 119.90 2x8n h TRP 101 Ca 0.07 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2x8n h TRP 101 Cb 0.00 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2x8n h TRP 101 CO -0.06 -0.18 0.15 0.52 -2.79 0.00 0.00 178.44 176.09 2x8n h MET 102 N -0.21 0.41 -0.15 2.65 2.86 -1.29 0.18 114.93 119.39 2x8n h MET 102 Ca 0.04 -0.04 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 2x8n h MET 102 Cb 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2x8n h MET 102 CO -0.11 0.32 -0.74 0.00 1.06 0.00 0.00 176.91 177.44 2x8n h ALA 103 N 1.75 0.41 0.00 6.32 0.00 -1.27 -3.32 119.26 123.16 2x8n h ALA 103 Ca 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2x8n h ALA 103 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2x8n h ALA 103 CO -0.02 0.70 -1.35 0.39 0.00 0.00 0.00 179.25 178.98 2x8n n GLU 104 N -3.92 0.35 -3.85 0.00 1.02 -0.98 -4.62 120.64 108.64 2x8n n GLU 104 Ca -0.06 -0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 2x8n n GLU 104 Cb 0.72 -1.55 -0.13 0.00 -0.02 0.00 0.00 31.44 30.46 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 -3.26 2.95 0.74 -0.32 3.76 0.61 -5.09 115.29 114.68 2x8n s HIS 105 Ca 0.01 -3.03 -0.14 0.00 -0.15 0.00 0.00 55.06 51.74 2x8n s HIS 105 Cb 0.14 -2.48 0.05 0.00 1.11 0.00 0.00 32.58 31.41 2x8n s HIS 105 CO 0.86 -0.69 1.17 -1.25 -0.85 0.00 0.00 174.74 173.98 2x8n s PRO 106 N -0.54 2.12 0.02 8.40 0.04 -1.26 -4.54 135.00 139.24 2x8n s PRO 106 Ca 0.21 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2x8n s PRO 106 Cb -0.16 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 2x8n s PRO 106 CO -0.07 -1.82 -0.08 -1.17 0.04 0.00 0.00 177.00 173.90 2x8n s LEU 107 N -5.35 2.13 -0.93 -3.56 2.96 -1.26 -5.09 118.68 107.58 2x8n s LEU 107 Ca 0.71 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 54.05 2x8n s LEU 107 Cb -0.26 -0.30 -0.00 0.00 0.50 0.00 0.00 46.19 46.13 2x8n s LEU 107 CO 0.47 -0.04 1.70 0.00 -1.32 0.00 0.00 176.35 177.16 2x8n s ALA 108 N -0.72 2.19 0.00 5.97 0.00 -1.26 -5.23 121.76 122.71 2x8n s ALA 108 Ca -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2x8n s ALA 108 Cb -0.06 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.54 2x8n s ALA 108 CO 0.00 -4.18 0.00 -1.13 0.00 0.00 0.00 175.76 170.45