#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 3.32 0.20 0.03 -0.58 -1.26 -4.73 120.64 117.62 2x8n n GLU 2 Ca 0.00 -3.67 0.14 0.00 -0.42 0.00 0.00 57.16 53.21 2x8n n GLU 2 Cb 0.00 -3.18 0.58 0.00 -0.57 0.00 0.00 31.44 28.28 2x8n n GLU 2 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2x8n h VAL 3 N 4.89 0.00 -0.38 2.62 -1.51 -1.95 -2.85 116.25 117.06 2x8n h VAL 3 Ca 0.36 -0.36 -0.12 0.00 -1.23 0.00 0.00 66.70 65.35 2x8n h VAL 3 Cb 0.86 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 2x8n h VAL 3 CO 1.32 0.00 -0.25 0.28 -1.23 0.00 0.00 177.57 177.69 2x8n h SER 4 N 0.00 0.81 -3.33 4.19 0.02 -1.99 -3.41 113.55 109.85 2x8n h SER 4 Ca 0.00 -0.30 -0.57 0.00 -0.84 0.00 0.00 61.79 60.07 2x8n h SER 4 Cb 0.43 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 2x8n h SER 4 CO 0.00 1.02 0.33 0.00 -1.14 0.00 0.00 176.83 177.04 2x8n s ALA 5 N -4.56 3.45 0.26 3.77 0.00 -1.07 -4.96 121.76 118.65 2x8n s ALA 5 Ca -0.09 0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.98 2x8n s ALA 5 Cb 0.13 -3.18 0.35 0.00 0.00 0.00 0.00 23.12 20.42 2x8n s ALA 5 CO 0.84 -0.51 1.67 -0.91 0.00 0.00 0.00 175.76 176.84 2x8n h ASN 6 N 7.19 0.44 -0.43 0.00 2.35 -1.86 -2.11 115.58 121.14 2x8n h ASN 6 Ca -0.32 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.13 2x8n h ASN 6 Cb 1.15 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.38 2x8n h ASN 6 CO 0.81 0.77 -0.18 1.05 -1.65 0.00 0.00 177.43 178.24 2x8n h GLU 7 N 0.36 0.93 0.00 0.81 4.11 -1.94 -2.64 114.58 116.20 2x8n h GLU 7 Ca 0.04 -0.36 -0.06 0.00 0.07 0.00 0.00 59.36 59.04 2x8n h GLU 7 Cb 0.81 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2x8n h GLU 7 CO 0.07 1.02 -0.29 -0.07 0.07 0.00 0.00 179.01 179.81 2x8n h LEU 8 N 0.81 0.00 1.18 3.06 -0.00 -1.79 -3.47 115.31 115.11 2x8n h LEU 8 Ca 0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.78 2x8n h LEU 8 Cb 0.72 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.29 2x8n h LEU 8 CO 0.06 0.29 -0.32 -1.84 -0.00 0.00 0.00 178.44 176.63 2x8n n GLU 9 N -3.62 -2.52 0.15 1.13 0.28 -0.81 -4.80 120.64 110.46 2x8n n GLU 9 Ca -0.01 0.19 0.12 0.00 -0.16 0.00 0.00 57.16 57.30 2x8n n GLU 9 Cb 0.42 -4.75 0.54 0.00 1.43 0.00 0.00 31.44 29.08 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 0.97 1.00 -0.22 -1.84 0.00 -1.74 -0.40 119.26 117.02 2x8n h ALA 10 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2x8n h ALA 10 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2x8n h ALA 10 CO 0.31 0.00 0.05 0.00 0.00 0.00 0.00 179.25 179.61 2x8n h ALA 11 N 2.18 0.30 -0.37 0.00 0.00 -1.86 -1.19 119.26 118.32 2x8n h ALA 11 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2x8n h ALA 11 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2x8n h ALA 11 CO 0.00 -0.04 0.24 0.77 0.00 0.00 0.00 179.25 180.22 2x8n h SER 12 N 0.18 0.43 -0.44 0.00 0.02 -1.46 -2.45 113.55 109.83 2x8n h SER 12 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2x8n h SER 12 Cb 0.29 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2x8n h SER 12 CO 0.00 0.31 0.25 0.28 -1.14 0.00 0.00 176.83 176.54 2x8n h SER 13 N 0.50 0.54 0.39 3.07 0.02 -1.48 -2.73 113.55 113.86 2x8n h SER 13 Ca 0.14 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 2x8n h SER 13 Cb -0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2x8n h SER 13 CO -0.03 0.46 -0.52 0.08 -1.14 0.00 0.00 176.83 175.68 2x8n h ARG 14 N 0.58 0.15 -0.35 3.45 -0.00 -1.15 -2.29 114.38 114.77 2x8n h ARG 14 Ca 0.16 -0.09 -0.02 0.00 -0.00 0.00 0.00 59.98 60.03 2x8n h ARG 14 Cb 0.03 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 29.99 2x8n h ARG 14 CO -0.03 0.64 0.14 0.52 -0.00 0.00 0.00 179.97 181.25 2x8n h MET 15 N 0.12 0.52 -0.95 0.08 2.86 -1.25 -1.18 114.93 115.12 2x8n h MET 15 Ca 0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2x8n h MET 15 Cb 0.96 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 2x8n h MET 15 CO 0.08 0.50 0.58 0.93 1.06 0.00 0.00 176.91 180.05 2x8n h GLU 16 N 0.42 1.29 -0.63 1.72 5.08 -1.26 -0.49 114.58 120.71 2x8n h GLU 16 Ca 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2x8n h GLU 16 Cb 0.17 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2x8n h GLU 16 CO -0.01 0.90 0.22 0.52 -1.00 0.00 0.00 179.01 179.64 2x8n h MET 17 N 1.31 0.94 0.00 2.33 2.86 -1.16 -2.73 114.93 118.49 2x8n h MET 17 Ca 0.34 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 2x8n h MET 17 Cb -0.06 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 2x8n h MET 17 CO -0.06 0.79 -0.37 -0.07 1.06 0.00 0.00 176.91 178.26 2x8n h LEU 18 N 0.91 0.00 -0.63 1.22 3.38 -0.57 0.63 115.31 120.26 2x8n h LEU 18 Ca 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 2x8n h LEU 18 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2x8n h LEU 18 CO -0.01 0.37 0.06 1.56 0.09 0.00 0.00 178.44 180.50 2x8n h GLN 19 N 0.00 1.07 -0.00 1.13 4.20 -0.82 -2.32 115.11 118.37 2x8n h GLN 19 Ca -0.00 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2x8n h GLN 19 Cb 1.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2x8n h GLN 19 CO 0.05 1.02 -0.64 2.89 -0.67 0.00 0.00 178.83 181.48 2x8n n ARG 20 N -4.22 0.30 -0.01 1.46 1.85 -1.07 -3.11 116.66 111.86 2x8n n ARG 20 Ca 0.03 -0.22 -0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2x8n n ARG 20 Cb 0.32 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 0.53 0.00 0.00 2.89 4.57 -0.79 -3.45 114.58 118.33 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 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2x8n h GLU 21 CO 0.00 0.00 -0.01 1.88 -1.18 0.00 0.00 179.01 179.70 2x8n h TYR 22 N -0.29 0.00 0.00 0.92 -1.99 -1.64 -3.51 116.97 110.47 2x8n h TYR 22 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2x8n h TYR 22 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2x8n h TYR 22 CO -0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 2x8n n SER 23 N -2.23 0.00 -4.93 3.88 3.41 -1.18 -4.79 113.62 107.78 2x8n n SER 23 Ca -0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2x8n n SER 23 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2x8n n SER 23 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2x8n s THR 24 N -2.00 5.14 0.05 6.66 -4.23 -1.23 -4.48 115.64 115.55 2x8n s THR 24 Ca 0.00 -0.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 2x8n s THR 24 Cb 0.00 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 2x8n s THR 24 CO 0.00 -0.18 1.21 -0.22 -0.54 0.00 0.00 174.62 174.89 2x8n s LEU 25 N -3.48 4.36 -0.26 4.79 2.96 -0.39 -1.27 118.68 125.40 2x8n s LEU 25 Ca 0.34 2.00 -0.04 0.00 -0.22 0.00 0.00 54.13 56.20 2x8n s LEU 25 Cb -0.10 -3.58 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 2x8n s LEU 25 CO 0.28 -0.49 -0.22 -2.11 -1.32 0.00 0.00 176.35 172.49 2x8n n ARG 26 N 4.13 0.64 -3.86 1.98 1.85 -0.90 -4.84 116.66 115.65 2x8n n ARG 26 Ca 0.09 0.21 -0.11 0.00 -1.00 0.00 0.00 57.85 57.04 2x8n n ARG 26 Cb 0.46 -1.53 -0.10 0.00 -1.05 0.00 0.00 32.46 30.24 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 -6.88 -0.00 0.00 2.89 0.01 -0.94 -4.99 113.70 103.80 2x8n s SER 27 Ca -0.35 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 56.79 2x8n s SER 27 Cb 0.11 0.22 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 2x8n s SER 27 CO 0.58 -0.34 -0.09 -0.69 0.41 0.00 0.00 173.24 173.11 2x8n s VAL 28 N -1.22 0.69 -0.07 3.43 1.01 -1.26 -0.68 120.40 122.29 2x8n s VAL 28 Ca -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2x8n s VAL 28 Cb -0.07 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.75 2x8n s VAL 28 CO 0.02 0.11 0.17 0.00 0.00 0.00 0.00 175.10 175.40 2x8n s GLN 29 N -0.42 0.13 -0.47 2.72 -2.07 -0.68 -5.00 119.66 113.87 2x8n s GLN 29 Ca 0.02 0.39 -0.22 0.00 -1.82 0.00 0.00 55.36 53.72 2x8n s GLN 29 Cb -0.04 -0.13 0.03 0.00 -1.09 0.00 0.00 33.01 31.78 2x8n s GLN 29 CO -0.00 -0.14 0.76 -0.47 -1.32 0.00 0.00 175.29 174.12 2x8n s TYR 30 N 1.03 2.98 -0.64 9.60 6.14 -1.26 -0.90 117.35 134.30 2x8n s TYR 30 Ca -0.08 0.01 -0.27 0.00 0.64 0.00 0.00 57.07 57.37 2x8n s TYR 30 Cb -0.10 -3.65 0.02 0.00 0.42 0.00 0.00 41.96 38.66 2x8n s TYR 30 CO -0.06 -1.02 1.35 1.03 0.64 0.00 0.00 175.55 177.49 2x8n s ARG 31 N 3.22 3.25 0.21 4.97 0.52 0.72 -4.91 118.95 126.94 2x8n s ARG 31 Ca 0.27 0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.65 2x8n s ARG 31 Cb -0.13 -4.14 0.16 0.00 0.52 0.00 0.00 34.95 31.35 2x8n s ARG 31 CO 0.20 -2.03 1.50 1.03 0.02 0.00 0.00 175.30 176.02 2x8n h SER 32 N 10.63 0.35 0.36 0.23 0.87 -1.96 0.41 113.55 124.44 2x8n h SER 32 Ca -0.27 -0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 59.95 2x8n h SER 32 Cb 1.07 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2x8n h SER 32 CO 1.22 0.91 -0.52 1.05 -0.53 0.00 0.00 176.83 178.97 2x8n h GLU 33 N 0.21 0.17 0.00 2.24 9.09 -1.94 -2.78 114.58 121.58 2x8n h GLU 33 Ca -0.02 -0.10 -0.21 0.00 0.05 0.00 0.00 59.36 59.09 2x8n h GLU 33 Cb 1.21 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.28 2x8n h GLU 33 CO 0.11 0.65 -1.18 0.93 0.05 0.00 0.00 179.01 179.57 2x8n h GLU 34 N 0.14 0.00 -2.00 1.06 4.39 -1.97 -3.48 114.58 112.71 2x8n h GLU 34 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.49 2x8n h GLU 34 Cb 0.96 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2x8n h GLU 34 CO 0.08 0.64 -0.30 0.41 -1.16 0.00 0.00 179.01 178.67 2x8n n GLY 35 N 1.39 -0.03 3.32 -3.84 0.00 0.02 -5.05 105.19 101.00 2x8n n GLY 35 Ca -0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.69 1.62 -0.14 1.61 -7.23 -0.52 -4.31 120.40 108.74 2x8n s VAL 36 Ca 0.07 -2.17 -0.06 0.00 -1.81 0.00 0.00 61.98 58.01 2x8n s VAL 36 Cb -0.03 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2x8n s VAL 36 CO 0.08 -0.62 0.05 -0.63 -0.31 0.00 0.00 175.10 173.67 2x8n s ILE 37 N -3.02 4.68 -0.22 -0.62 1.01 0.70 -0.20 121.20 123.54 2x8n s ILE 37 Ca 0.21 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 2x8n s ILE 37 Cb -0.00 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2x8n s ILE 37 CO 0.05 0.53 0.08 -0.69 0.00 0.00 0.00 174.94 174.91 2x8n s VAL 38 N -0.17 4.68 -0.50 2.92 1.01 -0.08 -1.69 120.40 126.57 2x8n s VAL 38 Ca 0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2x8n s VAL 38 Cb -0.12 -3.15 0.12 0.00 0.00 0.00 0.00 36.38 33.23 2x8n s VAL 38 CO 0.01 0.39 0.42 -0.36 0.00 0.00 0.00 175.10 175.56 2x8n s PHE 39 N 0.99 3.34 -0.27 5.22 0.08 0.01 -1.69 117.98 125.67 2x8n s PHE 39 Ca 0.04 -1.60 -0.27 0.00 0.12 0.00 0.00 56.93 55.23 2x8n s PHE 39 Cb -0.14 -3.64 0.01 0.00 -0.57 0.00 0.00 43.02 38.67 2x8n s PHE 39 CO 0.03 -1.01 0.94 0.42 -0.10 0.00 0.00 175.22 175.51 2x8n s ILE 40 N 1.47 4.71 0.80 0.64 1.01 0.15 -1.52 121.20 128.45 2x8n s ILE 40 Ca 0.04 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.26 2x8n s ILE 40 Cb -0.28 -4.25 0.07 0.00 0.01 0.00 0.00 42.46 38.01 2x8n s ILE 40 CO 0.01 -0.23 1.13 -0.76 0.00 0.00 0.00 174.94 175.10 2x8n s LEU 41 N 3.16 2.54 0.59 2.97 1.43 -0.37 -2.12 118.68 126.88 2x8n s LEU 41 Ca 0.40 1.00 0.38 0.00 -1.03 0.00 0.00 54.13 54.87 2x8n s LEU 41 Cb -0.14 -3.57 1.77 0.00 0.03 0.00 0.00 46.19 44.28 2x8n s LEU 41 CO 0.10 -1.87 2.13 0.00 0.23 0.00 0.00 176.35 176.94 2x8n h ALA 42 N -1.03 1.01 -0.60 4.21 0.00 -1.51 -0.29 119.26 121.06 2x8n h ALA 42 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2x8n h ALA 42 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2x8n h ALA 42 CO 0.64 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.17 2x8n n ASN 43 N -3.12 3.23 -3.34 0.00 0.23 -1.26 -4.97 115.26 106.04 2x8n n ASN 43 Ca -0.01 -2.01 -0.16 0.00 -0.53 0.00 0.00 54.58 51.87 2x8n n ASN 43 Cb 0.22 -0.40 0.04 0.00 -2.08 0.00 0.00 39.78 37.55 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 1.25 -6.53 -4.20 0.53 -0.08 -0.12 -5.05 116.55 102.34 2x8n n ASP 44 Ca 0.20 -0.62 -0.32 0.00 -1.51 0.00 0.00 54.79 52.53 2x8n n ASP 44 Cb 0.51 -4.53 -0.16 0.00 2.34 0.00 0.00 41.12 39.28 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 -4.43 3.06 -0.43 -0.67 3.52 -1.26 -4.87 118.95 113.87 2x8n s ARG 45 Ca 0.30 -0.84 -0.20 0.00 -0.13 0.00 0.00 55.73 54.86 2x8n s ARG 45 Cb -0.07 -2.43 0.02 0.00 -1.56 0.00 0.00 34.95 30.92 2x8n s ARG 45 CO 0.78 0.05 0.60 -1.21 -0.81 0.00 0.00 175.30 174.71 2x8n s GLU 46 N 0.68 3.25 -0.33 5.12 2.02 -1.26 -1.23 118.70 126.94 2x8n s GLU 46 Ca -0.10 -0.45 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 2x8n s GLU 46 Cb -0.16 -3.95 -0.01 0.00 0.10 0.00 0.00 34.13 30.11 2x8n s GLU 46 CO 0.01 -0.98 0.55 -0.51 0.02 0.00 0.00 175.26 174.36 2x8n s LEU 47 N 2.68 4.26 -0.31 1.80 1.43 -0.58 -4.90 118.68 123.06 2x8n s LEU 47 Ca 0.20 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2x8n s LEU 47 Cb -0.15 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.46 2x8n s LEU 47 CO 0.18 -0.48 0.03 -0.75 0.23 0.00 0.00 176.35 175.56 2x8n s LYS 48 N 2.48 2.40 0.30 1.70 2.20 -1.26 -0.81 119.74 126.76 2x8n s LYS 48 Ca 0.21 -1.31 0.04 0.00 -0.36 0.00 0.00 55.97 54.55 2x8n s LYS 48 Cb -0.15 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 2x8n s LYS 48 CO 0.13 -0.67 0.20 -0.06 -0.36 0.00 0.00 175.35 174.59 2x8n s PHE 49 N 1.26 1.60 0.26 4.03 0.08 -0.68 -5.01 117.98 119.51 2x8n s PHE 49 Ca -0.03 -1.49 0.09 0.00 0.12 0.00 0.00 56.93 55.61 2x8n s PHE 49 Cb -0.20 -0.77 -0.04 0.00 -0.57 0.00 0.00 43.02 41.44 2x8n s PHE 49 CO -0.01 -0.68 0.06 1.03 -0.10 0.00 0.00 175.22 175.53 2x8n s ARG 50 N -3.71 2.51 0.03 0.44 3.00 -1.26 -0.21 118.95 119.74 2x8n s ARG 50 Ca 0.37 -1.28 -0.07 0.00 0.00 0.00 0.00 55.73 54.76 2x8n s ARG 50 Cb 0.04 -2.31 -0.02 0.00 0.00 0.00 0.00 34.95 32.66 2x8n s ARG 50 CO 0.21 0.38 1.11 -1.00 0.00 0.00 0.00 175.30 176.00 2x8n h PRO 51 N 1.80 -0.09 0.00 3.54 0.13 -1.84 -2.94 132.00 132.59 2x8n h PRO 51 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2x8n h PRO 51 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2x8n h PRO 51 CO 0.60 -0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.06 2x8n n ASP 52 N -3.21 0.00 -0.01 1.44 8.00 -1.26 -2.53 116.55 118.97 2x8n n ASP 52 Ca -0.01 -1.90 -0.22 0.00 0.71 0.00 0.00 54.79 53.38 2x8n n ASP 52 Cb 0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.04 2x8n n ASP 52 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2x8n h ASP 53 N 0.00 0.32 -1.92 -2.24 -0.00 -1.87 -3.43 116.42 107.28 2x8n h ASP 53 Ca 0.00 -0.82 -0.43 0.00 -0.00 0.00 0.00 57.03 55.78 2x8n h ASP 53 Cb 0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 39.33 39.26 2x8n h ASP 53 CO 0.00 1.69 -0.14 -0.76 -0.00 0.00 0.00 179.24 180.02 2x8n s LEU 54 N -7.43 3.45 0.00 2.28 1.43 -1.05 -4.63 118.68 112.73 2x8n s LEU 54 Ca -0.22 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2x8n s LEU 54 Cb 0.06 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2x8n s LEU 54 CO 0.73 -0.98 0.99 1.67 0.23 0.00 0.00 176.35 179.00 2x8n n GLN 55 N -2.11 0.00 -0.13 1.70 -0.06 -0.40 -2.76 117.38 113.62 2x8n n GLN 55 Ca 0.08 0.60 -0.10 0.00 -2.00 0.00 0.00 57.00 55.59 2x8n n GLN 55 Cb 0.59 -1.49 -0.01 0.00 -4.06 0.00 0.00 30.24 25.27 2x8n n GLN 55 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2x8n h ALA 56 N -1.78 0.52 0.00 1.69 0.00 -1.86 -3.12 119.26 114.71 2x8n h ALA 56 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2x8n h ALA 56 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2x8n h ALA 56 CO 0.00 0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.72 2x8n n THR 57 N -4.54 0.01 -1.96 0.00 -2.24 -1.25 -4.64 114.28 99.67 2x8n n THR 57 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2x8n n THR 57 Cb 0.22 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.36 1.68 -0.13 4.78 5.04 -1.11 -1.60 117.35 123.66 2x8n s TYR 58 Ca 0.35 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 2x8n s TYR 58 Cb 0.21 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.45 2x8n s TYR 58 CO 0.42 -2.79 0.00 0.41 -1.34 0.00 0.00 175.55 172.25 2x8n n GLY 59 N 5.56 0.48 3.78 8.97 0.00 -1.26 -5.01 105.19 117.70 2x8n n GLY 59 Ca 0.24 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.87 3.54 0.52 4.61 0.00 -0.62 -5.08 121.76 122.85 2x8n s ALA 60 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 2x8n s ALA 60 Cb 0.00 -2.64 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 2x8n s ALA 60 CO 0.00 0.23 1.04 0.95 0.00 0.00 0.00 175.76 177.98 2x8n s THR 61 N -0.34 3.83 0.57 0.00 -4.23 -1.26 -4.91 115.64 109.30 2x8n s THR 61 Ca 0.28 1.03 0.27 0.00 -1.18 0.00 0.00 61.69 62.10 2x8n s THR 61 Cb -0.18 -3.44 0.38 0.00 1.34 0.00 0.00 72.50 70.60 2x8n s THR 61 CO 0.15 -0.35 2.01 1.55 -0.54 0.00 0.00 174.62 177.45 2x8n h PRO 62 N 1.17 0.00 -0.58 3.99 0.13 -1.98 -1.19 132.00 133.54 2x8n h PRO 62 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2x8n h PRO 62 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2x8n h PRO 62 CO 0.59 0.00 -0.05 1.05 -0.23 0.00 0.00 178.00 179.36 2x8n h GLU 63 N 0.00 1.05 0.00 0.86 4.11 -2.01 -2.56 114.58 116.04 2x8n h GLU 63 Ca 0.18 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.21 2x8n h GLU 63 Cb 0.85 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2x8n h GLU 63 CO -0.00 1.06 -0.16 1.96 0.07 0.00 0.00 179.01 181.94 2x8n h GLN 64 N 0.95 0.00 -0.73 1.06 4.20 -1.57 -2.70 115.11 116.32 2x8n h GLN 64 Ca 0.16 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 2x8n h GLN 64 Cb 0.61 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 2x8n h GLN 64 CO 0.04 0.16 0.07 1.28 -0.67 0.00 0.00 178.83 179.71 2x8n n LEU 65 N -3.25 4.78 -0.01 1.46 4.77 -0.98 -3.20 117.00 120.57 2x8n n LEU 65 Ca 0.01 -2.45 -0.01 0.00 -0.03 0.00 0.00 56.01 53.53 2x8n n LEU 65 Cb 0.44 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2x8n n LEU 65 CO 0.32 0.59 -0.56 0.54 -1.33 0.00 0.00 177.39 176.95 2x8n n ARG 66 N 0.31 0.78 -2.54 3.23 1.74 -1.04 -4.21 116.66 114.92 2x8n n ARG 66 Ca 0.24 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 2x8n n ARG 66 Cb 1.03 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.41 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 -2.04 3.71 0.04 5.56 2.02 -1.07 -4.94 118.70 121.97 2x8n s GLU 67 Ca -0.02 -1.49 0.04 0.00 0.02 0.00 0.00 54.97 53.52 2x8n s GLU 67 Cb 0.01 -5.43 -0.02 0.00 0.10 0.00 0.00 34.13 28.79 2x8n s GLU 67 CO 0.05 -2.31 -0.12 0.42 0.02 0.00 0.00 175.26 173.32 2x8n s ILE 68 N 4.95 0.96 0.17 -1.63 1.01 -1.26 -4.29 121.20 121.10 2x8n s ILE 68 Ca 0.51 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 60.29 2x8n s ILE 68 Cb 0.02 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2x8n s ILE 68 CO -0.01 -0.05 -0.16 -0.70 0.00 0.00 0.00 174.94 174.02 2x8n s GLU 69 N -1.12 1.24 0.66 2.79 2.56 -1.00 -4.92 118.70 118.91 2x8n s GLU 69 Ca -0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 54.97 53.41 2x8n s GLU 69 Cb -0.08 -1.15 -0.01 0.00 2.00 0.00 0.00 34.13 34.89 2x8n s GLU 69 CO 0.01 0.21 1.05 0.42 -0.56 0.00 0.00 175.26 176.39 2x8n s ILE 70 N -2.46 4.30 0.56 -3.70 -1.09 -1.26 -0.71 121.20 116.84 2x8n s ILE 70 Ca 0.17 0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 59.15 2x8n s ILE 70 Cb -0.03 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 37.13 2x8n s ILE 70 CO 0.06 -0.97 0.53 -1.20 -1.23 0.00 0.00 174.94 172.12 2x8n n SER 71 N -2.95 -1.01 0.25 3.58 7.64 -1.05 -3.54 113.62 116.55 2x8n n SER 71 Ca 0.07 0.74 0.10 0.00 1.01 0.00 0.00 58.87 60.79 2x8n n SER 71 Cb 0.54 -1.17 0.66 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.27 0.00 -0.01 1.43 0.13 -1.94 -1.37 132.00 130.51 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 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2x8n h PRO 72 CO 0.47 0.14 -0.21 0.43 -0.23 0.00 0.00 178.00 178.60 2x8n n SER 73 N -3.91 1.14 0.00 1.44 7.64 -1.26 -4.97 113.62 113.70 2x8n n SER 73 Ca -0.02 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2x8n n SER 73 Cb 0.23 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 1.31 2.87 0.00 0.23 0.00 -0.52 -4.91 105.19 104.17 2x8n n GLY 74 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 0.99 4.77 -1.26 -2.59 117.00 118.90 2x8n n LEU 75 Ca 0.00 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2x8n n LEU 75 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2x8n n LEU 75 CO 0.00 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2x8n n GLY 76 N -0.83 0.38 3.04 -0.72 0.00 -1.26 -1.26 105.19 104.54 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 2.89 0.28 -0.33 1.61 0.11 -0.68 -2.51 120.40 121.78 2x8n s VAL 77 Ca 0.00 -1.19 -0.00 0.00 -2.93 0.00 0.00 61.98 57.86 2x8n s VAL 77 Cb 0.00 -0.68 0.10 0.00 -1.53 0.00 0.00 36.38 34.27 2x8n s VAL 77 CO 0.00 -0.59 0.11 -0.47 -3.33 0.00 0.00 175.10 170.82 2x8n s TYR 78 N -2.04 1.87 -0.69 1.54 6.14 0.11 -1.47 117.35 122.81 2x8n s TYR 78 Ca -0.08 -1.91 -0.26 0.00 0.64 0.00 0.00 57.07 55.46 2x8n s TYR 78 Cb -0.06 -1.81 -0.01 0.00 0.42 0.00 0.00 41.96 40.50 2x8n s TYR 78 CO -0.03 -0.87 1.71 -0.06 0.64 0.00 0.00 175.55 176.94 2x8n s PHE 79 N 1.41 1.87 0.39 4.97 0.08 0.41 -2.38 117.98 124.73 2x8n s PHE 79 Ca 0.11 0.49 0.09 0.00 0.12 0.00 0.00 56.93 57.74 2x8n s PHE 79 Cb -0.18 -4.25 0.79 0.00 -0.57 0.00 0.00 43.02 38.81 2x8n s PHE 79 CO -0.21 -2.17 1.93 1.49 -0.10 0.00 0.00 175.22 176.16 2x8n h GLU 80 N 13.11 0.29 -0.54 0.44 4.81 -1.81 0.20 114.58 131.09 2x8n h GLU 80 Ca -0.20 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 2x8n h GLU 80 Cb 1.11 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 2x8n h GLU 80 CO 1.24 0.38 0.21 1.15 -0.73 0.00 0.00 179.01 181.27 2x8n h THR 81 N 0.28 1.20 0.00 0.32 2.02 -1.88 -2.84 112.91 112.01 2x8n h THR 81 Ca 0.06 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2x8n h THR 81 Cb 0.32 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2x8n h THR 81 CO 0.02 0.24 -1.08 0.18 0.37 0.00 0.00 175.52 175.25 2x8n n LEU 82 N -4.33 0.61 -2.29 2.58 4.77 -0.49 -4.96 117.00 112.89 2x8n n LEU 82 Ca 0.04 0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.92 2x8n n LEU 82 Cb 0.16 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2x8n n LEU 82 CO 0.38 -0.02 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.59 2x8n n GLU 83 N -2.15 -1.83 -4.36 3.23 1.02 0.60 -5.00 120.64 112.16 2x8n n GLU 83 Ca 0.01 0.88 -0.24 0.00 -0.02 0.00 0.00 57.16 57.79 2x8n n GLU 83 Cb 0.47 -5.47 -0.09 0.00 -0.02 0.00 0.00 31.44 26.33 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 -4.82 2.01 -0.08 3.49 0.41 -0.98 -4.99 118.70 113.74 2x8n s GLU 84 Ca 0.00 -1.52 0.01 0.00 -0.41 0.00 0.00 54.97 53.05 2x8n s GLU 84 Cb 0.00 -2.01 0.02 0.00 -1.78 0.00 0.00 34.13 30.36 2x8n s GLU 84 CO 0.00 0.37 -0.10 0.34 -0.49 0.00 0.00 175.26 175.38 2x8n s ASP 85 N -3.44 1.79 -0.62 -0.19 -1.08 -1.26 -0.45 116.67 111.42 2x8n s ASP 85 Ca 0.29 -0.28 -0.16 0.00 -0.52 0.00 0.00 52.55 51.89 2x8n s ASP 85 Cb -0.06 -0.78 0.15 0.00 -1.46 0.00 0.00 42.92 40.77 2x8n s ASP 85 CO 0.17 -0.02 0.60 -0.69 0.52 0.00 0.00 175.17 175.74 2x8n s VAL 86 N 1.01 5.26 0.10 1.11 1.01 -0.54 -4.49 120.40 123.87 2x8n s VAL 86 Ca -0.08 -1.68 -0.31 0.00 0.00 0.00 0.00 61.98 59.91 2x8n s VAL 86 Cb -0.15 -4.40 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 2x8n s VAL 86 CO -0.00 -0.95 1.71 -0.44 0.00 0.00 0.00 175.10 175.41 2x8n s SER 87 N 3.26 6.53 0.20 3.32 0.01 -1.26 -1.68 113.70 124.08 2x8n s SER 87 Ca 0.08 2.61 -0.11 0.00 1.31 0.00 0.00 55.95 59.84 2x8n s SER 87 Cb -0.24 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 63.58 2x8n s SER 87 CO 0.00 -0.92 1.85 0.25 0.41 0.00 0.00 173.24 174.83 2x8n h LEU 88 N 8.32 0.72 -0.76 2.44 5.85 -1.89 -2.21 115.31 127.77 2x8n h LEU 88 Ca -0.44 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2x8n h LEU 88 Cb 1.21 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2x8n h LEU 88 CO 0.94 0.51 0.41 0.40 -0.34 0.00 0.00 178.44 180.35 2x8n h ILE 89 N 0.86 1.23 -0.88 4.05 1.08 -1.92 -1.85 117.51 120.08 2x8n h ILE 89 Ca 0.27 -0.60 0.08 0.00 -0.39 0.00 0.00 64.86 64.22 2x8n h ILE 89 Cb -0.02 0.23 -0.07 0.00 -3.07 0.00 0.00 36.82 33.90 2x8n h ILE 89 CO -0.09 0.26 0.54 1.23 -0.69 0.00 0.00 178.15 179.40 2x8n h GLY 90 N 1.06 1.36 1.19 5.37 0.00 -1.68 0.54 103.07 110.90 2x8n h GLY 90 Ca 0.27 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2x8n h GLY 90 CO -0.04 0.21 0.24 1.41 0.00 0.00 0.00 176.54 178.36 2x8n h LEU 91 N 0.93 0.95 -0.87 3.11 3.38 -0.79 0.23 115.31 122.26 2x8n h LEU 91 Ca 0.41 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 2x8n h LEU 91 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2x8n h LEU 91 CO -0.21 0.87 -0.56 -0.07 0.09 0.00 0.00 178.44 178.56 2x8n h LEU 92 N 1.00 0.02 0.00 1.67 3.38 -0.54 -2.79 115.31 118.05 2x8n h LEU 92 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2x8n h LEU 92 Cb 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2x8n h LEU 92 CO -0.01 0.57 -0.32 -0.62 0.09 0.00 0.00 178.44 178.15 2x8n n GLU 93 N -3.88 0.26 -0.36 1.13 -0.58 0.08 -4.94 120.64 112.35 2x8n n GLU 93 Ca -0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2x8n n GLU 93 Cb 0.57 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2x8n n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x8n n GLY 94 N 1.33 1.41 3.55 0.62 0.00 -0.05 -5.00 105.19 107.05 2x8n n GLY 94 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2x8n n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x8n s ARG 95 N -0.32 2.59 0.17 1.61 3.00 0.63 -4.84 118.95 121.79 2x8n s ARG 95 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 55.73 55.90 2x8n s ARG 95 Cb 0.00 -4.64 0.07 0.00 0.00 0.00 0.00 34.95 30.38 2x8n s ARG 95 CO 0.00 -2.98 1.67 0.00 0.00 0.00 0.00 175.30 173.98 2x8n h ARG 96 N 13.63 0.99 0.00 3.54 2.47 -1.87 -3.32 114.38 129.83 2x8n h ARG 96 Ca -0.13 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 2x8n h ARG 96 Cb 1.10 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2x8n h ARG 96 CO 1.21 0.93 0.00 0.41 0.56 0.00 0.00 179.97 183.08 2x8n n GLY 97 N -0.56 5.19 3.88 0.04 0.00 -1.26 -1.28 105.19 111.20 2x8n n GLY 97 Ca 0.03 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 1.00 5.69 0.14 1.61 1.04 -1.26 -4.93 113.70 117.00 2x8n s SER 98 Ca 0.00 1.20 -0.18 0.00 0.48 0.00 0.00 55.95 57.45 2x8n s SER 98 Cb 0.00 -2.08 -0.00 0.00 0.10 0.00 0.00 66.02 64.03 2x8n s SER 98 CO 0.00 -1.18 1.76 0.00 0.98 0.00 0.00 173.24 174.80 2x8n h ALA 99 N -0.52 0.34 -0.66 5.32 0.00 -1.99 -1.61 119.26 120.13 2x8n h ALA 99 Ca -0.45 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2x8n h ALA 99 Cb 1.23 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2x8n h ALA 99 CO 0.63 -0.26 0.37 1.57 0.00 0.00 0.00 179.25 181.56 2x8n h LYS 100 N 0.28 0.67 -0.80 0.00 2.10 -1.99 -2.37 116.57 114.45 2x8n h LYS 100 Ca 0.12 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.75 2x8n h LYS 100 Cb 0.05 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 31.19 2x8n h LYS 100 CO -0.09 0.44 0.52 2.35 -2.00 0.00 0.00 179.45 180.67 2x8n h TRP 101 N 0.69 0.98 0.00 0.07 7.01 -1.79 -0.46 115.95 122.44 2x8n h TRP 101 Ca 0.29 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 2x8n h TRP 101 Cb 0.17 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 2x8n h TRP 101 CO -0.08 0.59 -0.03 0.52 -2.79 0.00 0.00 178.44 176.65 2x8n h MET 102 N 1.04 0.00 0.14 2.65 2.86 -0.94 0.27 114.93 120.95 2x8n h MET 102 Ca 0.30 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.63 2x8n h MET 102 Cb -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 2x8n h MET 102 CO -0.09 0.03 -1.58 0.00 1.06 0.00 0.00 176.91 176.34 2x8n h ALA 103 N 1.97 0.24 0.00 6.32 0.00 -0.76 -3.05 119.26 123.98 2x8n h ALA 103 Ca -0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 54.91 53.79 2x8n h ALA 103 Cb 0.59 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2x8n h ALA 103 CO 0.00 1.11 -0.47 0.93 0.00 0.00 0.00 179.25 180.82 2x8n h GLU 104 N 0.08 0.00 -2.40 0.00 5.08 -0.95 -3.37 114.58 113.03 2x8n h GLU 104 Ca -0.27 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.50 2x8n h GLU 104 Cb 2.04 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.90 2x8n h GLU 104 CO 0.17 0.00 -0.89 0.72 -1.00 0.00 0.00 179.01 178.01 2x8n n HIS 105 N -2.90 0.45 -1.69 4.33 8.25 0.95 -5.07 115.22 119.53 2x8n n HIS 105 Ca 0.02 -3.64 -0.44 0.00 -0.26 0.00 0.00 57.72 53.40 2x8n n HIS 105 Cb 0.54 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 2x8n n HIS 105 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2x8n n PRO 106 N 2.13 2.43 -1.74 -0.41 -0.02 -1.15 -4.38 135.00 131.85 2x8n n PRO 106 Ca 0.26 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 62.20 2x8n n PRO 106 Cb 0.46 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.25 2x8n n PRO 106 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2x8n n LEU 107 N 3.74 4.31 -4.57 2.45 7.94 -1.26 -4.87 117.00 124.73 2x8n n LEU 107 Ca 0.17 1.19 -0.26 0.00 -1.11 0.00 0.00 56.01 55.99 2x8n n LEU 107 Cb 0.32 -1.58 -0.06 0.00 0.53 0.00 0.00 43.42 42.63 2x8n n LEU 107 CO 0.64 0.02 1.39 0.00 -1.11 0.00 0.00 177.39 178.32 2x8n s ALA 108 N -0.57 1.62 0.00 1.96 0.00 -1.26 -5.19 121.76 118.31 2x8n s ALA 108 Ca 0.59 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2x8n s ALA 108 Cb -0.51 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.00 2x8n s ALA 108 CO 0.56 -5.12 0.00 0.45 0.00 0.00 0.00 175.76 171.65