#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 0.00 -2.17 0.03 0.28 -1.26 -4.90 120.64 112.62 2x8n n GLU 2 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 2x8n n GLU 2 Cb 0.00 -0.24 -0.03 0.00 1.43 0.00 0.00 31.44 32.60 2x8n n GLU 2 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2x8n s VAL 3 N 0.00 3.46 0.24 3.84 1.01 -1.26 -4.95 120.40 122.74 2x8n s VAL 3 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2x8n s VAL 3 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2x8n s VAL 3 CO 0.00 -1.16 -0.06 -0.44 0.00 0.00 0.00 175.10 173.44 2x8n s SER 4 N 7.02 2.35 0.11 3.32 0.01 -1.26 -5.14 113.70 120.12 2x8n s SER 4 Ca 0.60 -1.15 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2x8n s SER 4 Cb -0.11 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 65.97 2x8n s SER 4 CO 0.16 -0.37 1.10 0.00 0.41 0.00 0.00 173.24 174.55 2x8n s ALA 5 N -3.16 3.34 -1.34 1.44 0.00 -1.26 -4.94 121.76 115.84 2x8n s ALA 5 Ca 0.27 0.77 0.05 0.00 0.00 0.00 0.00 51.96 53.05 2x8n s ALA 5 Cb 0.03 -3.37 0.26 0.00 0.00 0.00 0.00 23.12 20.04 2x8n s ALA 5 CO 0.09 -0.26 1.04 0.27 0.00 0.00 0.00 175.76 176.89 2x8n n ASN 6 N 3.07 0.00 -0.28 0.00 0.23 -1.26 -2.66 115.26 114.36 2x8n n ASN 6 Ca 0.05 0.27 0.10 0.00 -0.53 0.00 0.00 54.58 54.47 2x8n n ASN 6 Cb 0.47 -0.33 0.34 0.00 -2.08 0.00 0.00 39.78 38.19 2x8n n ASN 6 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2x8n h GLU 7 N 0.00 0.74 0.00 -3.83 4.11 -2.07 -1.95 114.58 111.58 2x8n h GLU 7 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2x8n h GLU 7 Cb 0.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2x8n h GLU 7 CO 0.00 0.49 -0.16 1.47 0.07 0.00 0.00 179.01 180.88 2x8n n LEU 8 N -4.57 0.60 -2.42 3.06 -0.00 -1.09 -4.94 117.00 107.64 2x8n n LEU 8 Ca 0.17 0.45 -0.09 0.00 -0.00 0.00 0.00 56.01 56.54 2x8n n LEU 8 Cb 0.43 -0.32 -0.01 0.00 -0.00 0.00 0.00 43.42 43.52 2x8n n LEU 8 CO 0.29 -0.09 -0.11 -1.84 -0.00 0.00 0.00 177.39 175.64 2x8n n GLU 9 N -2.01 -2.41 0.30 1.47 0.28 -0.74 -4.82 120.64 112.70 2x8n n GLU 9 Ca 0.05 0.43 0.15 0.00 -0.16 0.00 0.00 57.16 57.63 2x8n n GLU 9 Cb 0.41 -4.98 0.92 0.00 1.43 0.00 0.00 31.44 29.21 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 1.01 1.46 0.02 -1.84 0.00 -1.90 -0.20 119.26 117.81 2x8n h ALA 10 Ca -0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2x8n h ALA 10 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2x8n h ALA 10 CO 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.50 2x8n h ALA 11 N 1.99 -0.03 0.14 0.00 0.00 -1.98 -2.30 119.26 117.08 2x8n h ALA 11 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2x8n h ALA 11 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2x8n h ALA 11 CO 0.00 -0.38 -0.07 1.03 0.00 0.00 0.00 179.25 179.84 2x8n h SER 12 N -0.31 -0.16 -0.54 0.00 0.87 -1.47 -2.81 113.55 109.13 2x8n h SER 12 Ca -0.00 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2x8n h SER 12 Cb 0.30 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2x8n h SER 12 CO 0.00 0.25 0.28 0.77 -0.53 0.00 0.00 176.83 177.60 2x8n h SER 13 N -0.59 0.69 -0.13 6.23 4.64 -1.38 -1.70 113.55 121.31 2x8n h SER 13 Ca -0.02 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2x8n h SER 13 Cb 0.46 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2x8n h SER 13 CO 0.03 0.60 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.47 2x8n h ARG 14 N 0.72 -0.00 -0.86 4.77 9.65 -1.50 -1.67 114.38 125.49 2x8n h ARG 14 Ca 0.19 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.09 2x8n h ARG 14 Cb 0.08 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.62 2x8n h ARG 14 CO -0.03 -0.00 0.57 0.52 2.80 0.00 0.00 179.97 183.83 2x8n h MET 15 N -0.00 1.09 -0.27 0.20 2.86 -1.17 0.15 114.93 117.79 2x8n h MET 15 Ca 0.06 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 2x8n h MET 15 Cb 0.10 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2x8n h MET 15 CO -0.14 0.72 -0.43 0.93 1.06 0.00 0.00 176.91 179.05 2x8n h GLU 16 N 1.12 0.67 -0.66 1.72 5.08 -1.13 -1.16 114.58 120.23 2x8n h GLU 16 Ca 0.32 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2x8n h GLU 16 Cb -0.07 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2x8n h GLU 16 CO -0.08 0.97 0.15 0.52 -1.00 0.00 0.00 179.01 179.57 2x8n h MET 17 N 0.54 1.05 -0.04 2.33 2.86 -0.64 -2.91 114.93 118.12 2x8n h MET 17 Ca 0.04 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 2x8n h MET 17 Cb 0.97 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 2x8n h MET 17 CO 0.09 0.94 -0.39 -0.07 1.06 0.00 0.00 176.91 178.54 2x8n h LEU 18 N 1.00 0.09 -0.23 1.22 3.38 -0.62 0.28 115.31 120.44 2x8n h LEU 18 Ca 0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2x8n h LEU 18 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2x8n h LEU 18 CO 0.00 0.48 0.13 1.56 0.09 0.00 0.00 178.44 180.70 2x8n h GLN 19 N 0.08 0.31 -0.00 1.13 4.20 -1.03 -1.98 115.11 117.81 2x8n h GLN 19 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2x8n h GLN 19 Cb 0.72 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2x8n h GLN 19 CO 0.05 0.27 -0.45 2.89 -0.67 0.00 0.00 178.83 180.93 2x8n n ARG 20 N -4.88 0.06 0.00 1.46 1.85 -1.07 -3.84 116.66 110.24 2x8n n ARG 20 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2x8n n ARG 20 Cb 0.06 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 2x8n n ARG 20 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2x8n n GLU 21 N -1.44 0.00 0.00 2.89 4.07 0.97 -4.92 120.64 122.21 2x8n n GLU 21 Ca 0.06 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 2x8n n GLU 21 Cb 0.34 -0.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 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 -1.94 0.00 -3.49 4.31 0.53 -0.75 -5.06 117.16 110.75 2x8n n TYR 22 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.78 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 -0.48 0.27 7.72 0.01 -1.23 -5.02 113.70 113.97 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 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 2x8n s SER 23 CO 0.00 -0.92 0.20 0.42 0.41 0.00 0.00 173.24 173.35 2x8n s THR 24 N -3.59 4.21 -0.20 1.44 -4.23 -1.26 -4.55 115.64 107.47 2x8n s THR 24 Ca 0.03 -1.44 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 2x8n s THR 24 Cb -0.01 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 2x8n s THR 24 CO -0.10 -0.32 0.49 -0.22 -0.54 0.00 0.00 174.62 173.93 2x8n s LEU 25 N -3.86 4.16 -0.17 4.79 2.96 -0.82 -1.18 118.68 124.57 2x8n s LEU 25 Ca 0.34 0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 54.82 2x8n s LEU 25 Cb -0.07 -2.66 -0.23 0.00 0.50 0.00 0.00 46.19 43.73 2x8n s LEU 25 CO 0.25 -0.15 0.20 -2.11 -1.32 0.00 0.00 176.35 173.22 2x8n n ARG 26 N 4.66 0.70 -3.70 1.98 1.85 -0.80 -4.84 116.66 116.50 2x8n n ARG 26 Ca -0.06 0.30 -0.11 0.00 -1.00 0.00 0.00 57.85 56.98 2x8n n ARG 26 Cb 0.51 -1.67 -0.06 0.00 -1.05 0.00 0.00 32.46 30.19 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 -6.95 -0.15 -0.08 2.89 0.01 -0.93 -4.95 113.70 103.54 2x8n s SER 27 Ca -0.27 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 2x8n s SER 27 Cb 0.07 0.42 0.03 0.00 0.21 0.00 0.00 66.02 66.76 2x8n s SER 27 CO 0.70 -0.77 0.03 -0.69 0.41 0.00 0.00 173.24 172.92 2x8n s VAL 28 N -3.48 0.18 -0.16 3.43 1.01 -1.26 -0.48 120.40 119.64 2x8n s VAL 28 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 2x8n s VAL 28 Cb 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2x8n s VAL 28 CO -0.09 0.16 -0.11 0.00 0.00 0.00 0.00 175.10 175.05 2x8n s GLN 29 N 2.05 3.36 -0.43 2.72 -2.07 -0.32 -4.95 119.66 120.02 2x8n s GLN 29 Ca 0.04 -0.68 -0.26 0.00 -1.82 0.00 0.00 55.36 52.64 2x8n s GLN 29 Cb -0.13 -2.73 0.02 0.00 -1.09 0.00 0.00 33.01 29.09 2x8n s GLN 29 CO -0.05 0.08 0.95 -0.47 -1.32 0.00 0.00 175.29 174.48 2x8n s TYR 30 N 0.71 2.96 -0.53 9.60 6.14 -1.26 -1.01 117.35 133.96 2x8n s TYR 30 Ca -0.05 0.56 -0.27 0.00 0.64 0.00 0.00 57.07 57.95 2x8n s TYR 30 Cb -0.15 -3.92 0.03 0.00 0.42 0.00 0.00 41.96 38.34 2x8n s TYR 30 CO 0.02 -1.03 1.09 1.03 0.64 0.00 0.00 175.55 177.31 2x8n s ARG 31 N 3.75 3.54 0.26 4.97 0.52 -0.22 -4.90 118.95 126.86 2x8n s ARG 31 Ca 0.39 0.22 0.13 0.00 -0.52 0.00 0.00 55.73 55.95 2x8n s ARG 31 Cb -0.10 -3.98 0.21 0.00 0.52 0.00 0.00 34.95 31.59 2x8n s ARG 31 CO 0.24 -1.51 1.51 0.66 0.02 0.00 0.00 175.30 176.23 2x8n h SER 32 N 9.36 0.00 -0.11 0.23 4.64 -1.94 0.22 113.55 125.95 2x8n h SER 32 Ca -0.25 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.98 2x8n h SER 32 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2x8n h SER 32 CO 1.13 0.64 -0.21 -0.08 -0.87 0.00 0.00 176.83 177.43 2x8n h GLU 33 N 0.00 0.53 0.00 4.77 4.81 -1.96 -3.07 114.58 119.67 2x8n h GLU 33 Ca -0.01 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2x8n h GLU 33 Cb 1.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2x8n h GLU 33 CO 0.08 0.72 -1.37 0.39 -0.73 0.00 0.00 179.01 178.10 2x8n n GLU 34 N -4.14 0.49 -1.27 1.92 -0.58 -1.18 -4.98 120.64 110.89 2x8n n GLU 34 Ca -0.00 -0.04 -0.09 0.00 -0.42 0.00 0.00 57.16 56.61 2x8n n GLU 34 Cb 0.39 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.29 1.06 3.52 0.62 0.00 0.69 -5.01 105.19 107.35 2x8n n GLY 35 Ca -0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.24 2.88 -0.36 1.61 -7.23 -0.65 -4.50 120.40 109.90 2x8n s VAL 36 Ca 0.00 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.16 2x8n s VAL 36 Cb 0.00 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.51 2x8n s VAL 36 CO 0.00 -0.14 0.45 -0.63 -0.31 0.00 0.00 175.10 174.47 2x8n s ILE 37 N -1.77 5.07 -0.21 -0.62 1.01 -0.17 -1.05 121.20 123.46 2x8n s ILE 37 Ca 0.24 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 2x8n s ILE 37 Cb -0.08 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2x8n s ILE 37 CO 0.14 -0.21 0.35 -0.69 0.00 0.00 0.00 174.94 174.52 2x8n s VAL 38 N 2.24 5.23 -0.65 2.92 1.01 -0.18 -1.99 120.40 128.98 2x8n s VAL 38 Ca 0.15 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2x8n s VAL 38 Cb -0.16 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 32.71 2x8n s VAL 38 CO 0.13 0.27 0.54 -0.36 0.00 0.00 0.00 175.10 175.68 2x8n s PHE 39 N 1.29 3.52 -0.36 5.22 0.08 0.01 -1.17 117.98 126.56 2x8n s PHE 39 Ca 0.16 -2.02 -0.29 0.00 0.12 0.00 0.00 56.93 54.91 2x8n s PHE 39 Cb -0.14 -3.60 0.01 0.00 -0.57 0.00 0.00 43.02 38.71 2x8n s PHE 39 CO 0.07 -0.96 1.36 0.42 -0.10 0.00 0.00 175.22 176.01 2x8n s ILE 40 N 0.64 4.00 0.99 0.64 1.01 0.37 -1.54 121.20 127.33 2x8n s ILE 40 Ca 0.12 1.08 -0.12 0.00 0.00 0.00 0.00 60.65 61.73 2x8n s ILE 40 Cb -0.20 -4.18 0.19 0.00 0.01 0.00 0.00 42.46 38.28 2x8n s ILE 40 CO -0.04 -0.63 1.08 -0.76 0.00 0.00 0.00 174.94 174.59 2x8n s LEU 41 N 4.95 1.70 0.48 2.97 1.43 -0.39 -1.91 118.68 127.91 2x8n s LEU 41 Ca 0.59 1.35 0.15 0.00 -1.03 0.00 0.00 54.13 55.19 2x8n s LEU 41 Cb -0.15 -3.56 1.14 0.00 0.03 0.00 0.00 46.19 43.64 2x8n s LEU 41 CO 0.28 -3.16 2.07 0.00 0.23 0.00 0.00 176.35 175.77 2x8n h ALA 42 N -1.91 1.85 -0.23 4.21 0.00 -1.47 0.49 119.26 122.19 2x8n h ALA 42 Ca -0.54 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2x8n h ALA 42 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2x8n h ALA 42 CO 0.55 0.11 0.00 0.27 0.00 0.00 0.00 179.25 180.18 2x8n n ASN 43 N -4.43 1.82 -1.04 0.00 0.23 -1.26 -4.91 115.26 105.67 2x8n n ASN 43 Ca -0.03 -2.12 -0.13 0.00 -0.53 0.00 0.00 54.58 51.77 2x8n n ASN 43 Cb 0.17 -0.32 -0.05 0.00 -2.08 0.00 0.00 39.78 37.50 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 0.23 -4.55 -4.65 0.53 8.00 0.16 -4.99 116.55 111.28 2x8n n ASP 44 Ca 0.09 0.30 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 2x8n n ASP 44 Cb 0.35 -3.24 -0.02 0.00 -0.02 0.00 0.00 41.12 38.19 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 -3.20 4.22 -0.62 -1.24 3.52 -1.26 -4.72 118.95 115.65 2x8n s ARG 45 Ca 0.00 1.27 -0.28 0.00 -0.13 0.00 0.00 55.73 56.59 2x8n s ARG 45 Cb 0.00 -3.66 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2x8n s ARG 45 CO 0.00 -0.67 1.27 -1.21 -0.81 0.00 0.00 175.30 173.88 2x8n s GLU 46 N 3.25 3.38 -0.41 5.12 2.02 -1.26 -1.27 118.70 129.54 2x8n s GLU 46 Ca 0.43 0.17 -0.27 0.00 0.02 0.00 0.00 54.97 55.33 2x8n s GLU 46 Cb -0.14 -4.08 0.02 0.00 0.10 0.00 0.00 34.13 30.02 2x8n s GLU 46 CO 0.08 -1.87 0.97 -0.51 0.02 0.00 0.00 175.26 173.96 2x8n s LEU 47 N 5.43 3.93 -0.46 1.80 1.43 -0.59 -4.87 118.68 125.36 2x8n s LEU 47 Ca 0.43 0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.89 2x8n s LEU 47 Cb -0.08 -3.32 0.09 0.00 0.03 0.00 0.00 46.19 42.91 2x8n s LEU 47 CO 0.23 -0.98 0.36 -0.75 0.23 0.00 0.00 176.35 175.44 2x8n s LYS 48 N 3.73 2.77 -0.03 1.70 2.20 -1.26 -0.81 119.74 128.03 2x8n s LYS 48 Ca 0.40 -1.52 0.01 0.00 -0.36 0.00 0.00 55.97 54.50 2x8n s LYS 48 Cb -0.11 -4.00 0.01 0.00 -1.51 0.00 0.00 37.83 32.22 2x8n s LYS 48 CO 0.23 -1.08 -0.04 -0.06 -0.36 0.00 0.00 175.35 174.04 2x8n s PHE 49 N 1.51 0.55 0.68 4.03 0.08 -0.84 -4.99 117.98 119.00 2x8n s PHE 49 Ca 0.04 -0.11 -0.11 0.00 0.12 0.00 0.00 56.93 56.86 2x8n s PHE 49 Cb -0.25 -0.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 2x8n s PHE 49 CO 0.03 -0.11 1.06 1.03 -0.10 0.00 0.00 175.22 177.13 2x8n s ARG 50 N 0.56 2.99 0.14 0.44 0.52 -1.26 -1.00 118.95 121.33 2x8n s ARG 50 Ca -0.07 0.98 -0.29 0.00 -0.52 0.00 0.00 55.73 55.84 2x8n s ARG 50 Cb -0.10 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 2x8n s ARG 50 CO -0.00 -1.06 1.58 -1.35 0.02 0.00 0.00 175.30 174.49 2x8n h PRO 51 N -0.57 -0.44 -0.03 3.54 0.11 -1.83 -2.62 132.00 130.16 2x8n h PRO 51 Ca -0.44 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2x8n h PRO 51 Cb 1.21 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2x8n h PRO 51 CO 0.57 -0.29 0.00 -0.25 -0.21 0.00 0.00 178.00 177.81 2x8n n ASP 52 N -5.43 0.40 0.07 -2.05 9.92 -1.25 -1.84 116.55 116.38 2x8n n ASP 52 Ca -0.03 -1.43 0.12 0.00 -0.53 0.00 0.00 54.79 52.92 2x8n n ASP 52 Cb 0.36 -0.02 0.08 0.00 -0.64 0.00 0.00 41.12 40.90 2x8n n ASP 52 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2x8n n ASP 53 N -0.55 0.73 -4.59 -2.24 -0.08 -1.00 -4.49 116.55 104.33 2x8n n ASP 53 Ca 0.16 0.12 -0.24 0.00 -1.51 0.00 0.00 54.79 53.33 2x8n n ASP 53 Cb 0.14 0.41 -0.09 0.00 2.34 0.00 0.00 41.12 43.92 2x8n n ASP 53 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2x8n s LEU 54 N -4.56 2.94 -0.05 -2.67 1.43 -0.76 -4.88 118.68 110.13 2x8n s LEU 54 Ca 0.03 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 52.01 2x8n s LEU 54 Cb 0.12 -1.40 -0.19 0.00 0.03 0.00 0.00 46.19 44.75 2x8n s LEU 54 CO 0.76 -0.07 1.02 -0.61 0.23 0.00 0.00 176.35 177.69 2x8n h GLN 55 N 1.98 -0.11 -0.75 1.70 4.15 -1.47 -2.86 115.11 117.75 2x8n h GLN 55 Ca -0.42 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.17 2x8n h GLN 55 Cb 1.25 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 28.84 2x8n h GLN 55 CO 0.62 0.40 0.07 0.00 -1.93 0.00 0.00 178.83 178.00 2x8n h ALA 56 N 0.04 0.85 -0.25 3.38 0.00 -1.82 -2.71 119.26 118.74 2x8n h ALA 56 Ca -0.01 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2x8n h ALA 56 Cb 0.57 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2x8n h ALA 56 CO 0.02 -0.41 -0.01 0.25 0.00 0.00 0.00 179.25 179.10 2x8n n THR 57 N -5.28 2.30 -2.02 0.00 -2.24 -1.25 -4.84 114.28 100.95 2x8n n THR 57 Ca 0.14 -2.10 -0.26 0.00 -2.27 0.00 0.00 64.05 59.56 2x8n n THR 57 Cb 0.48 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.77 0.00 4.78 5.04 -1.03 -1.53 117.35 123.46 2x8n s TYR 58 Ca 0.42 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 2x8n s TYR 58 Cb 0.35 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.65 2x8n s TYR 58 CO 0.06 -1.73 0.00 0.41 -1.34 0.00 0.00 175.55 172.96 2x8n n GLY 59 N 6.84 0.88 3.83 8.97 0.00 -1.26 -4.99 105.19 119.46 2x8n n GLY 59 Ca 0.41 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.05 3.81 0.50 4.61 0.00 -0.58 -5.11 121.76 122.94 2x8n s ALA 60 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 2x8n s ALA 60 Cb 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.97 2x8n s ALA 60 CO 0.00 0.47 1.00 0.95 0.00 0.00 0.00 175.76 178.18 2x8n s THR 61 N -0.61 4.19 0.49 0.00 -4.23 -1.26 -4.96 115.64 109.25 2x8n s THR 61 Ca 0.14 1.19 0.38 0.00 -1.18 0.00 0.00 61.69 62.22 2x8n s THR 61 Cb -0.12 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.54 2x8n s THR 61 CO 0.03 -0.46 2.17 1.55 -0.54 0.00 0.00 174.62 177.37 2x8n h PRO 62 N 1.21 0.00 -0.02 3.99 0.13 -1.99 -1.22 132.00 134.10 2x8n h PRO 62 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2x8n h PRO 62 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2x8n h PRO 62 CO 0.60 0.00 -0.46 1.05 -0.23 0.00 0.00 178.00 178.96 2x8n h GLU 63 N 0.00 0.05 0.00 0.86 4.11 -2.02 -2.68 114.58 114.89 2x8n h GLU 63 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2x8n h GLU 63 Cb 0.09 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2x8n h GLU 63 CO 0.00 0.49 -0.07 1.96 0.07 0.00 0.00 179.01 181.46 2x8n h GLN 64 N 0.04 0.00 -0.66 1.06 4.20 -1.60 -3.21 115.11 114.94 2x8n h GLN 64 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2x8n h GLN 64 Cb 0.82 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 2x8n h GLN 64 CO 0.06 0.07 0.12 1.28 -0.67 0.00 0.00 178.83 179.69 2x8n n LEU 65 N -3.12 5.87 -0.08 1.46 4.77 -1.02 -4.12 117.00 120.76 2x8n n LEU 65 Ca 0.03 -3.01 -0.07 0.00 -0.03 0.00 0.00 56.01 52.93 2x8n n LEU 65 Cb 0.53 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2x8n n LEU 65 CO 0.34 0.70 -0.50 0.54 -1.33 0.00 0.00 177.39 177.14 2x8n n ARG 66 N 0.31 0.48 -2.70 3.23 1.74 -1.17 -4.38 116.66 114.16 2x8n n ARG 66 Ca 0.33 0.37 -0.42 0.00 -0.77 0.00 0.00 57.85 57.35 2x8n n ARG 66 Cb 1.27 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 31.15 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 -2.53 3.70 0.03 5.56 -1.05 -1.26 -4.96 118.70 118.19 2x8n s GLU 67 Ca -0.21 -1.56 0.07 0.00 -0.15 0.00 0.00 54.97 53.11 2x8n s GLU 67 Cb 0.03 -5.23 -0.03 0.00 -0.44 0.00 0.00 34.13 28.45 2x8n s GLU 67 CO 0.31 -2.05 -0.18 0.42 0.95 0.00 0.00 175.26 174.71 2x8n s ILE 68 N 3.91 2.75 0.11 1.83 1.01 -1.26 -2.94 121.20 126.61 2x8n s ILE 68 Ca 0.43 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.97 2x8n s ILE 68 Cb -0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2x8n s ILE 68 CO -0.06 0.37 -0.10 -0.70 0.00 0.00 0.00 174.94 174.44 2x8n s GLU 69 N -1.33 0.93 0.56 2.79 2.12 -0.92 -4.95 118.70 117.90 2x8n s GLU 69 Ca 0.14 -1.26 -0.18 0.00 0.36 0.00 0.00 54.97 54.03 2x8n s GLU 69 Cb -0.10 -0.59 -0.05 0.00 0.26 0.00 0.00 34.13 33.65 2x8n s GLU 69 CO 0.04 0.09 1.07 0.42 -0.54 0.00 0.00 175.26 176.34 2x8n s ILE 70 N -2.72 3.61 0.71 -3.70 -1.09 -1.26 -0.74 121.20 116.00 2x8n s ILE 70 Ca 0.09 0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 59.22 2x8n s ILE 70 Cb -0.01 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.51 2x8n s ILE 70 CO 0.00 -0.34 0.87 -1.54 -1.23 0.00 0.00 174.94 172.70 2x8n n SER 71 N -1.63 0.12 0.16 3.58 3.41 -0.88 -4.14 113.62 114.23 2x8n n SER 71 Ca 0.10 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 2x8n n SER 71 Cb 0.52 -1.36 0.55 0.00 -0.26 0.00 0.00 64.21 63.66 2x8n n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2x8n h PRO 72 N -0.19 0.00 0.00 4.33 0.13 -1.93 -1.19 132.00 133.15 2x8n h PRO 72 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2x8n h PRO 72 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2x8n h PRO 72 CO 0.46 0.00 -0.40 0.77 -0.23 0.00 0.00 178.00 178.60 2x8n h SER 73 N 0.00 0.00 0.00 1.44 0.02 -1.96 -3.48 113.55 109.57 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 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2x8n h SER 73 CO 0.00 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.41 2x8n n GLY 74 N 1.16 0.48 0.00 -3.77 0.00 -0.45 -4.87 105.19 97.74 2x8n n GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.47 0.00 0.99 4.77 -1.26 -4.21 117.00 117.75 2x8n n LEU 75 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2x8n n LEU 75 Cb 0.07 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2x8n n LEU 75 CO 0.00 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.30 2x8n n GLY 76 N 1.98 0.57 3.25 -0.72 0.00 -1.26 -1.94 105.19 107.07 2x8n n GLY 76 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 2.86 0.88 -0.22 1.61 0.11 -0.42 -2.08 120.40 123.14 2x8n s VAL 77 Ca 0.00 -2.01 -0.04 0.00 -2.93 0.00 0.00 61.98 57.01 2x8n s VAL 77 Cb 0.00 -2.02 0.07 0.00 -1.53 0.00 0.00 36.38 32.90 2x8n s VAL 77 CO 0.00 -0.58 0.08 -0.47 -3.33 0.00 0.00 175.10 170.80 2x8n s TYR 78 N -3.52 0.63 -0.19 1.54 6.14 0.08 -2.31 117.35 119.72 2x8n s TYR 78 Ca 0.21 -0.74 -0.28 0.00 0.64 0.00 0.00 57.07 56.89 2x8n s TYR 78 Cb 0.05 -0.94 -0.00 0.00 0.42 0.00 0.00 41.96 41.49 2x8n s TYR 78 CO 0.03 -0.65 0.99 -0.06 0.64 0.00 0.00 175.55 176.50 2x8n s PHE 79 N 1.99 3.40 0.04 4.97 0.08 -0.14 -2.17 117.98 126.15 2x8n s PHE 79 Ca 0.03 1.45 -0.20 0.00 0.12 0.00 0.00 56.93 58.34 2x8n s PHE 79 Cb -0.16 -3.20 -0.15 0.00 -0.57 0.00 0.00 43.02 38.94 2x8n s PHE 79 CO -0.16 -0.37 1.32 1.49 -0.10 0.00 0.00 175.22 177.39 2x8n h GLU 80 N 7.36 0.39 -0.75 0.44 4.81 -1.82 -0.31 114.58 124.70 2x8n h GLU 80 Ca -0.24 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2x8n h GLU 80 Cb 1.10 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 2x8n h GLU 80 CO 0.92 0.81 0.46 1.15 -0.73 0.00 0.00 179.01 181.62 2x8n h THR 81 N 0.00 1.21 -0.00 0.32 2.02 -1.79 -2.80 112.91 111.87 2x8n h THR 81 Ca 0.02 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2x8n h THR 81 Cb 0.77 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2x8n h THR 81 CO 0.05 0.21 -0.83 0.00 0.37 0.00 0.00 175.52 175.32 2x8n n LEU 82 N -4.52 1.26 -2.75 2.58 -0.00 -1.24 -4.98 117.00 107.35 2x8n n LEU 82 Ca 0.07 -0.55 -0.20 0.00 -0.00 0.00 0.00 56.01 55.33 2x8n n LEU 82 Cb 0.05 -0.01 0.01 0.00 -0.00 0.00 0.00 43.42 43.46 2x8n n LEU 82 CO 0.37 0.28 -0.12 -0.62 -0.00 0.00 0.00 177.39 177.29 2x8n n GLU 83 N -1.08 -3.13 -5.10 1.47 1.02 -0.16 -4.98 120.64 108.68 2x8n n GLU 83 Ca 0.06 0.82 -0.28 0.00 -0.02 0.00 0.00 57.16 57.73 2x8n n GLU 83 Cb 0.37 -5.55 -0.16 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 -5.40 1.89 0.19 3.49 0.41 -0.99 -4.94 118.70 113.34 2x8n s GLU 84 Ca 0.16 -0.79 0.01 0.00 -0.41 0.00 0.00 54.97 53.93 2x8n s GLU 84 Cb -0.07 -1.78 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 2x8n s GLU 84 CO 0.20 0.45 0.36 0.16 -0.49 0.00 0.00 175.26 175.93 2x8n s ASP 85 N -0.44 6.36 -0.31 -0.19 -4.77 -1.26 -0.96 116.67 115.10 2x8n s ASP 85 Ca 0.06 0.29 0.02 0.00 -3.30 0.00 0.00 52.55 49.62 2x8n s ASP 85 Cb -0.09 -1.96 0.09 0.00 -1.09 0.00 0.00 42.92 39.87 2x8n s ASP 85 CO -0.00 -0.02 0.03 -0.69 0.70 0.00 0.00 175.17 175.19 2x8n s VAL 86 N -1.86 1.82 0.21 2.11 1.01 -0.98 -4.26 120.40 118.45 2x8n s VAL 86 Ca 0.37 -1.89 -0.32 0.00 0.00 0.00 0.00 61.98 60.14 2x8n s VAL 86 Cb -0.11 -2.27 -0.11 0.00 0.00 0.00 0.00 36.38 33.89 2x8n s VAL 86 CO 0.29 -0.49 1.67 -0.44 0.00 0.00 0.00 175.10 176.12 2x8n s SER 87 N 1.17 6.43 0.23 3.32 0.01 -1.26 -1.31 113.70 122.30 2x8n s SER 87 Ca 0.06 2.81 -0.05 0.00 1.31 0.00 0.00 55.95 60.08 2x8n s SER 87 Cb -0.19 -2.60 0.24 0.00 0.21 0.00 0.00 66.02 63.68 2x8n s SER 87 CO -0.12 -0.93 1.78 0.25 0.41 0.00 0.00 173.24 174.64 2x8n h LEU 88 N 6.54 0.98 -1.01 2.44 5.85 -1.89 -1.78 115.31 126.45 2x8n h LEU 88 Ca -0.43 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 2x8n h LEU 88 Cb 1.20 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2x8n h LEU 88 CO 0.93 0.91 0.35 0.40 -0.34 0.00 0.00 178.44 180.69 2x8n h ILE 89 N 1.01 1.23 -0.13 4.05 1.08 -1.93 -1.55 117.51 121.28 2x8n h ILE 89 Ca 0.22 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 2x8n h ILE 89 Cb 0.28 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 2x8n h ILE 89 CO -0.01 0.28 -0.11 1.23 -0.69 0.00 0.00 178.15 178.86 2x8n h GLY 90 N 1.10 0.22 0.73 5.37 0.00 -1.57 0.23 103.07 109.16 2x8n h GLY 90 Ca 0.26 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 2x8n h GLY 90 CO -0.03 0.12 -0.25 1.41 0.00 0.00 0.00 176.54 177.79 2x8n h LEU 91 N 0.20 0.42 -0.91 3.11 3.38 -0.61 0.28 115.31 121.19 2x8n h LEU 91 Ca 0.04 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 2x8n h LEU 91 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2x8n h LEU 91 CO 0.02 0.91 -0.43 -0.07 0.09 0.00 0.00 178.44 178.96 2x8n h LEU 92 N -0.05 0.27 0.00 1.67 3.38 -1.05 -3.16 115.31 116.36 2x8n h LEU 92 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2x8n h LEU 92 Cb 0.84 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2x8n h LEU 92 CO 0.05 0.66 -1.09 -0.62 0.09 0.00 0.00 178.44 177.54 2x8n n GLU 93 N -4.01 0.14 -0.88 1.13 -0.58 0.05 -4.97 120.64 111.51 2x8n n GLU 93 Ca -0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2x8n n GLU 93 Cb 0.49 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 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 1.44 0.55 3.35 0.62 0.00 -0.33 -4.97 105.19 105.85 2x8n n GLY 94 Ca 0.03 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.88 2.64 0.04 1.61 0.63 0.85 -4.80 116.66 114.76 2x8n n ARG 95 Ca 0.00 -2.83 0.06 0.00 -0.92 0.00 0.00 57.85 54.16 2x8n n ARG 95 Cb 0.00 -3.44 0.27 0.00 0.45 0.00 0.00 32.46 29.73 2x8n n ARG 95 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2x8n n ARG 96 N 7.73 0.05 0.00 -0.14 1.74 -1.25 -4.44 116.66 120.35 2x8n n ARG 96 Ca 0.49 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 2x8n n ARG 96 Cb 0.44 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.70 2.37 3.82 -0.13 0.00 -1.26 -1.34 105.19 107.95 2x8n n GLY 97 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2x8n n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x8n s SER 98 N 2.00 6.30 0.20 1.61 0.01 -1.26 -4.92 113.70 117.63 2x8n s SER 98 Ca 0.00 1.70 -0.11 0.00 1.31 0.00 0.00 55.95 58.86 2x8n s SER 98 Cb 0.00 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 63.91 2x8n s SER 98 CO 0.00 -0.81 1.79 0.00 0.41 0.00 0.00 173.24 174.63 2x8n h ALA 99 N 0.85 0.79 -0.35 1.44 0.00 -1.99 -0.92 119.26 119.08 2x8n h ALA 99 Ca -0.47 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2x8n h ALA 99 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2x8n h ALA 99 CO 0.60 -0.03 0.11 0.87 0.00 0.00 0.00 179.25 180.79 2x8n h LYS 100 N 0.58 0.55 -0.29 0.00 1.57 -1.99 -2.04 116.57 114.96 2x8n h LYS 100 Ca 0.27 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2x8n h LYS 100 Cb 0.19 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2x8n h LYS 100 CO -0.19 0.57 0.05 2.35 -0.57 0.00 0.00 179.45 181.67 2x8n h TRP 101 N 0.41 0.09 0.00 -1.35 7.01 -1.81 0.22 115.95 120.52 2x8n h TRP 101 Ca 0.11 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2x8n h TRP 101 Cb 0.25 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2x8n h TRP 101 CO 0.01 0.02 -0.13 0.52 -2.79 0.00 0.00 178.44 176.07 2x8n h MET 102 N 0.16 0.00 0.18 2.65 2.86 -1.11 0.54 114.93 120.21 2x8n h MET 102 Ca 0.13 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.42 2x8n h MET 102 Cb 0.14 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.81 2x8n h MET 102 CO -0.18 0.13 -1.77 0.00 1.06 0.00 0.00 176.91 176.15 2x8n h ALA 103 N 1.87 0.19 -0.00 6.32 0.00 -0.82 -3.40 119.26 123.42 2x8n h ALA 103 Ca -0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 2x8n h ALA 103 Cb 0.60 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2x8n h ALA 103 CO 0.02 1.06 -0.94 0.39 0.00 0.00 0.00 179.25 179.78 2x8n n GLU 104 N -3.57 0.28 -3.67 0.00 1.02 0.02 -4.53 120.64 110.18 2x8n n GLU 104 Ca -0.25 -0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.54 2x8n n GLU 104 Cb 1.07 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.91 2x8n n GLU 104 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2x8n s HIS 105 N -2.91 2.19 0.22 -0.32 3.76 0.17 -5.05 115.29 113.35 2x8n s HIS 105 Ca 0.08 -2.67 -0.32 0.00 -0.15 0.00 0.00 55.06 52.01 2x8n s HIS 105 Cb 0.16 -1.83 -0.14 0.00 1.11 0.00 0.00 32.58 31.87 2x8n s HIS 105 CO 0.83 -0.72 1.31 -2.30 -0.85 0.00 0.00 174.74 173.00 2x8n n PRO 106 N 2.84 1.73 -1.63 8.40 -0.02 -1.26 -4.50 135.00 140.55 2x8n n PRO 106 Ca 0.19 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.94 2x8n n PRO 106 Cb 0.39 -2.21 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 2x8n n PRO 106 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2x8n s LEU 107 N 0.27 3.39 -1.15 2.45 2.96 -1.26 -4.88 118.68 120.45 2x8n s LEU 107 Ca 0.69 2.24 -0.24 0.00 -0.22 0.00 0.00 54.13 56.60 2x8n s LEU 107 Cb -0.71 -4.58 -0.13 0.00 0.50 0.00 0.00 46.19 41.27 2x8n s LEU 107 CO 0.51 -1.95 1.98 0.00 -1.32 0.00 0.00 176.35 175.58 2x8n n ALA 108 N -2.44 1.39 -1.58 5.97 0.00 -1.26 -5.17 120.51 117.42 2x8n n ALA 108 Ca 0.12 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.75 2x8n n ALA 108 Cb 0.51 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.51 2x8n n ALA 108 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95