#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x8n s GLU 2 N 0.00 4.37 0.04 0.03 8.01 -1.26 -5.03 118.70 124.87 2x8n s GLU 2 Ca 0.00 1.12 -0.31 0.00 0.01 0.00 0.00 54.97 55.79 2x8n s GLU 2 Cb 0.00 -3.53 -0.06 0.00 -4.31 0.00 0.00 34.13 26.23 2x8n s GLU 2 CO 0.00 -0.23 1.29 0.14 0.01 0.00 0.00 175.26 176.46 2x8n s VAL 3 N 1.78 3.82 -1.29 2.63 -7.23 -1.26 -4.94 120.40 113.91 2x8n s VAL 3 Ca 0.42 1.27 -0.15 0.00 -1.81 0.00 0.00 61.98 61.71 2x8n s VAL 3 Cb -0.18 -3.82 0.11 0.00 0.56 0.00 0.00 36.38 33.06 2x8n s VAL 3 CO 0.16 0.06 1.73 -1.20 -0.31 0.00 0.00 175.10 175.54 2x8n n SER 4 N 4.42 4.90 -4.96 4.85 7.64 -1.26 -4.85 113.62 124.35 2x8n n SER 4 Ca 0.11 -2.95 -0.22 0.00 1.01 0.00 0.00 58.87 56.82 2x8n n SER 4 Cb 0.45 -1.65 0.04 0.00 -1.01 0.00 0.00 64.21 62.04 2x8n n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x8n s ALA 5 N 2.76 3.75 0.34 -0.43 0.00 -1.26 -4.99 121.76 121.93 2x8n s ALA 5 Ca 0.48 -1.22 0.10 0.00 0.00 0.00 0.00 51.96 51.32 2x8n s ALA 5 Cb 0.04 -2.18 0.63 0.00 0.00 0.00 0.00 23.12 21.60 2x8n s ALA 5 CO 0.02 -0.81 1.79 -2.95 0.00 0.00 0.00 175.76 173.81 2x8n h ASN 6 N -0.02 0.11 0.54 0.00 7.08 -2.00 -2.23 115.58 119.07 2x8n h ASN 6 Ca -0.43 -0.04 -0.05 0.00 -3.08 0.00 0.00 56.30 52.70 2x8n h ASN 6 Cb 1.30 -0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 37.50 2x8n h ASN 6 CO 0.54 0.47 -0.25 1.05 -2.08 0.00 0.00 177.43 177.16 2x8n h GLU 7 N 0.10 0.00 0.00 4.14 4.11 -1.97 -2.24 114.58 118.72 2x8n h GLU 7 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2x8n h GLU 7 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2x8n h GLU 7 CO 0.05 0.25 0.00 1.28 0.07 0.00 0.00 179.01 180.66 2x8n n LEU 8 N -3.71 0.30 -4.12 3.06 7.99 -0.84 -4.93 117.00 114.76 2x8n n LEU 8 Ca -0.01 0.55 -0.35 0.00 -0.01 0.00 0.00 56.01 56.19 2x8n n LEU 8 Cb 0.36 -0.47 -0.04 0.00 -0.11 0.00 0.00 43.42 43.16 2x8n n LEU 8 CO 0.34 -0.20 -0.06 -1.84 -1.51 0.00 0.00 177.39 174.11 2x8n n GLU 9 N -1.80 -2.43 0.08 3.23 0.28 -0.84 -4.82 120.64 114.34 2x8n n GLU 9 Ca 0.05 0.29 0.09 0.00 -0.16 0.00 0.00 57.16 57.43 2x8n n GLU 9 Cb 0.30 -4.97 0.40 0.00 1.43 0.00 0.00 31.44 28.60 2x8n n GLU 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2x8n n ALA 10 N -4.07 1.50 -0.02 -1.84 0.00 -1.26 -1.19 120.51 113.63 2x8n n ALA 10 Ca 0.08 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 2x8n n ALA 10 Cb 0.48 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 2x8n n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x8n h ALA 11 N 2.27 -0.06 -0.53 0.00 0.00 -1.92 -1.85 119.26 117.16 2x8n h ALA 11 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2x8n h ALA 11 Cb 0.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2x8n h ALA 11 CO 0.00 -0.13 -0.01 0.66 0.00 0.00 0.00 179.25 179.77 2x8n h SER 12 N -0.88 0.89 -0.43 0.00 4.64 -1.76 -2.63 113.55 113.38 2x8n h SER 12 Ca -0.01 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 2x8n h SER 12 Cb 0.66 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2x8n h SER 12 CO 0.01 0.96 -0.03 0.28 -0.87 0.00 0.00 176.83 177.18 2x8n h SER 13 N 0.85 0.83 -0.31 4.97 0.02 -1.29 -2.78 113.55 115.84 2x8n h SER 13 Ca 0.16 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2x8n h SER 13 Cb 0.52 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2x8n h SER 13 CO 0.03 0.91 0.17 -0.09 -1.14 0.00 0.00 176.83 176.70 2x8n h ARG 14 N 0.79 0.43 -0.37 3.45 9.65 -0.99 -1.22 114.38 126.12 2x8n h ARG 14 Ca 0.15 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.02 2x8n h ARG 14 Cb 0.51 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.96 2x8n h ARG 14 CO 0.03 0.37 0.12 0.52 2.80 0.00 0.00 179.97 183.80 2x8n h MET 15 N 0.38 0.26 -0.77 0.20 2.86 -1.42 -0.19 114.93 116.24 2x8n h MET 15 Ca 0.11 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2x8n h MET 15 Cb 0.06 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2x8n h MET 15 CO -0.02 0.17 0.48 0.93 1.06 0.00 0.00 176.91 179.53 2x8n h GLU 16 N 0.27 0.89 -0.28 1.72 4.39 -1.24 -1.75 114.58 118.57 2x8n h GLU 16 Ca 0.17 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2x8n h GLU 16 Cb 0.16 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2x8n h GLU 16 CO -0.19 0.59 0.09 0.52 -1.16 0.00 0.00 179.01 178.86 2x8n h MET 17 N 0.92 0.44 -0.23 2.33 2.86 -0.74 -2.94 114.93 117.57 2x8n h MET 17 Ca 0.32 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2x8n h MET 17 Cb 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2x8n h MET 17 CO -0.14 0.50 -0.10 -0.07 1.06 0.00 0.00 176.91 178.16 2x8n h LEU 18 N 0.29 0.35 0.21 1.22 3.38 -0.69 0.11 115.31 120.18 2x8n h LEU 18 Ca 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2x8n h LEU 18 Cb 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2x8n h LEU 18 CO -0.00 0.50 -0.10 1.56 0.09 0.00 0.00 178.44 180.48 2x8n h GLN 19 N 0.35 -0.28 0.00 1.13 4.20 -1.24 -2.37 115.11 116.91 2x8n h GLN 19 Ca 0.07 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2x8n h GLN 19 Cb 0.40 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2x8n h GLN 19 CO 0.02 -0.13 -0.02 0.07 -0.67 0.00 0.00 178.83 178.10 2x8n h ARG 20 N -0.35 0.00 0.00 1.46 0.11 -1.31 -3.31 114.38 110.98 2x8n h ARG 20 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2x8n h ARG 20 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2x8n h ARG 20 CO 0.05 0.00 -0.00 1.49 0.10 0.00 0.00 179.97 181.60 2x8n h GLU 21 N 0.00 0.00 0.00 0.08 4.57 -0.76 -3.46 114.58 115.01 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 0.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 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 -2.15 0.00 -3.44 0.92 4.02 -0.90 -5.08 117.16 110.54 2x8n n TYR 22 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 2x8n n TYR 22 Cb 0.00 0.00 -0.02 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 -0.53 0.25 7.72 0.01 -1.22 -5.04 113.70 113.89 2x8n s SER 23 Ca 0.00 0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.36 2x8n s SER 23 Cb 0.00 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 2x8n s SER 23 CO 0.00 -0.88 0.20 0.42 0.41 0.00 0.00 173.24 173.38 2x8n s THR 24 N -3.51 4.39 -0.20 1.44 -4.23 -1.25 -4.35 115.64 107.93 2x8n s THR 24 Ca 0.01 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 58.97 2x8n s THR 24 Cb -0.01 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 2x8n s THR 24 CO -0.11 -0.34 0.30 -0.22 -0.54 0.00 0.00 174.62 173.70 2x8n s LEU 25 N -3.84 4.16 -0.14 4.79 2.96 -0.27 -1.12 118.68 125.22 2x8n s LEU 25 Ca 0.33 0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 2x8n s LEU 25 Cb -0.08 -2.35 -0.24 0.00 0.50 0.00 0.00 46.19 44.02 2x8n s LEU 25 CO 0.25 0.01 0.26 -2.11 -1.32 0.00 0.00 176.35 173.44 2x8n n ARG 26 N 4.20 0.72 -3.88 1.98 1.85 -0.81 -4.83 116.66 115.88 2x8n n ARG 26 Ca -0.11 0.23 -0.07 0.00 -1.00 0.00 0.00 57.85 56.89 2x8n n ARG 26 Cb 0.52 -1.67 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 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 -6.76 -0.22 -0.01 2.89 0.01 -0.98 -4.97 113.70 103.67 2x8n s SER 27 Ca -0.23 -0.68 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 2x8n s SER 27 Cb 0.07 0.71 -0.00 0.00 0.21 0.00 0.00 66.02 67.01 2x8n s SER 27 CO 0.74 -1.32 0.04 -0.69 0.41 0.00 0.00 173.24 172.43 2x8n s VAL 28 N -3.90 0.04 -0.16 3.43 1.01 -1.26 -0.56 120.40 119.00 2x8n s VAL 28 Ca 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2x8n s VAL 28 Cb -0.05 -0.17 0.06 0.00 0.00 0.00 0.00 36.38 36.21 2x8n s VAL 28 CO 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 175.10 175.06 2x8n s GLN 29 N -0.53 0.29 -0.61 2.72 -2.07 -0.14 -4.96 119.66 114.36 2x8n s GLN 29 Ca -0.06 -0.15 -0.27 0.00 -1.82 0.00 0.00 55.36 53.06 2x8n s GLN 29 Cb -0.04 -1.77 -0.00 0.00 -1.09 0.00 0.00 33.01 30.11 2x8n s GLN 29 CO -0.00 -0.61 1.65 -0.47 -1.32 0.00 0.00 175.29 174.54 2x8n s TYR 30 N 2.04 1.92 -0.82 9.60 6.14 -1.26 -1.37 117.35 133.60 2x8n s TYR 30 Ca 0.01 0.54 -0.21 0.00 0.64 0.00 0.00 57.07 58.05 2x8n s TYR 30 Cb -0.16 -4.27 0.09 0.00 0.42 0.00 0.00 41.96 38.05 2x8n s TYR 30 CO -0.08 -2.24 1.11 1.03 0.64 0.00 0.00 175.55 176.01 2x8n s ARG 31 N 6.37 3.38 0.26 4.97 0.52 0.12 -4.86 118.95 129.71 2x8n s ARG 31 Ca 0.58 -1.23 0.21 0.00 -0.52 0.00 0.00 55.73 54.77 2x8n s ARG 31 Cb -0.12 -4.66 0.99 0.00 0.52 0.00 0.00 34.95 31.69 2x8n s ARG 31 CO 0.21 -1.86 1.65 0.45 0.02 0.00 0.00 175.30 175.76 2x8n n SER 32 N 7.45 0.56 -0.22 0.23 2.88 -1.26 -0.90 113.62 122.35 2x8n n SER 32 Ca 0.13 0.69 0.03 0.00 -1.33 0.00 0.00 58.87 58.38 2x8n n SER 32 Cb 0.48 -0.79 0.14 0.00 -0.75 0.00 0.00 64.21 63.29 2x8n n SER 32 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2x8n h GLU 33 N 0.00 0.26 0.00 -1.46 5.08 -1.93 -3.07 114.58 113.46 2x8n h GLU 33 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2x8n h GLU 33 Cb 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2x8n h GLU 33 CO 0.00 0.18 -0.98 0.39 -1.00 0.00 0.00 179.01 177.59 2x8n n GLU 34 N -5.13 1.63 -2.33 2.33 -0.58 -0.86 -5.00 120.64 110.70 2x8n n GLU 34 Ca 0.11 -0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.71 2x8n n GLU 34 Cb 0.38 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 1.43 -0.01 3.33 0.62 0.00 -0.08 -5.04 105.19 105.43 2x8n n GLY 35 Ca 0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.62 1.85 -0.35 1.61 -7.23 -0.78 -4.37 120.40 108.52 2x8n s VAL 36 Ca 0.05 -1.80 -0.19 0.00 -1.81 0.00 0.00 61.98 58.23 2x8n s VAL 36 Cb -0.02 -1.78 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 2x8n s VAL 36 CO 0.06 -0.20 0.57 -0.63 -0.31 0.00 0.00 175.10 174.59 2x8n s ILE 37 N -1.68 4.96 -0.34 -0.62 1.01 0.76 -0.70 121.20 124.58 2x8n s ILE 37 Ca 0.13 0.46 -0.12 0.00 0.00 0.00 0.00 60.65 61.12 2x8n s ILE 37 Cb -0.08 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 2x8n s ILE 37 CO 0.06 -0.25 0.23 -0.69 0.00 0.00 0.00 174.94 174.29 2x8n s VAL 38 N 2.53 5.14 -0.57 2.92 1.01 -0.47 -2.52 120.40 128.44 2x8n s VAL 38 Ca 0.21 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2x8n s VAL 38 Cb -0.15 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.64 2x8n s VAL 38 CO 0.14 -0.03 0.77 -0.36 0.00 0.00 0.00 175.10 175.62 2x8n s PHE 39 N 1.69 2.91 -0.45 5.22 0.08 0.18 -0.96 117.98 126.65 2x8n s PHE 39 Ca 0.06 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.25 2x8n s PHE 39 Cb -0.18 -3.92 0.02 0.00 -0.57 0.00 0.00 43.02 38.37 2x8n s PHE 39 CO 0.10 -1.29 1.24 0.42 -0.10 0.00 0.00 175.22 175.58 2x8n s ILE 40 N 3.18 4.10 0.94 0.64 1.01 0.28 -1.43 121.20 129.92 2x8n s ILE 40 Ca 0.18 1.13 -0.11 0.00 0.00 0.00 0.00 60.65 61.85 2x8n s ILE 40 Cb -0.19 -4.44 0.16 0.00 0.01 0.00 0.00 42.46 37.99 2x8n s ILE 40 CO 0.11 -0.89 1.09 -0.76 0.00 0.00 0.00 174.94 174.49 2x8n s LEU 41 N 4.79 2.17 0.53 2.97 1.43 -0.31 -1.93 118.68 128.34 2x8n s LEU 41 Ca 0.53 1.68 0.28 0.00 -1.03 0.00 0.00 54.13 55.59 2x8n s LEU 41 Cb -0.10 -4.02 1.46 0.00 0.03 0.00 0.00 46.19 43.57 2x8n s LEU 41 CO 0.31 -3.00 2.07 0.00 0.23 0.00 0.00 176.35 175.96 2x8n h ALA 42 N -1.80 1.27 -0.12 4.21 0.00 -1.44 -0.33 119.26 121.04 2x8n h ALA 42 Ca -0.50 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2x8n h ALA 42 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2x8n h ALA 42 CO 0.50 0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.17 2x8n n ASN 43 N -3.61 1.26 -0.43 0.00 0.23 -1.26 -4.94 115.26 106.52 2x8n n ASN 43 Ca -0.02 -1.63 -0.06 0.00 -0.53 0.00 0.00 54.58 52.35 2x8n n ASN 43 Cb 0.24 -0.08 -0.02 0.00 -2.08 0.00 0.00 39.78 37.84 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 0.05 -3.68 -4.73 0.53 8.00 -0.13 -5.03 116.55 111.56 2x8n n ASP 44 Ca 0.16 0.14 -0.40 0.00 0.71 0.00 0.00 54.79 55.40 2x8n n ASP 44 Cb 0.27 -1.68 -0.05 0.00 -0.02 0.00 0.00 41.12 39.64 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 -2.46 4.47 -0.50 -1.24 3.52 -1.26 -4.77 118.95 116.73 2x8n s ARG 45 Ca 0.00 1.02 -0.26 0.00 -0.13 0.00 0.00 55.73 56.37 2x8n s ARG 45 Cb 0.00 -3.42 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 2x8n s ARG 45 CO 0.00 0.12 0.97 -1.21 -0.81 0.00 0.00 175.30 174.37 2x8n s GLU 46 N 0.54 3.49 -0.35 5.12 2.02 -1.26 -1.16 118.70 127.11 2x8n s GLU 46 Ca 0.40 0.09 -0.26 0.00 0.02 0.00 0.00 54.97 55.22 2x8n s GLU 46 Cb -0.19 -3.97 0.01 0.00 0.10 0.00 0.00 34.13 30.08 2x8n s GLU 46 CO 0.21 -1.35 0.91 -0.51 0.02 0.00 0.00 175.26 174.54 2x8n s LEU 47 N 3.97 4.02 -0.37 1.80 1.43 -0.51 -4.92 118.68 124.09 2x8n s LEU 47 Ca 0.37 0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2x8n s LEU 47 Cb -0.10 -3.25 0.07 0.00 0.03 0.00 0.00 46.19 42.94 2x8n s LEU 47 CO 0.25 -0.79 0.15 -0.75 0.23 0.00 0.00 176.35 175.43 2x8n s LYS 48 N 3.35 2.40 0.05 1.70 2.20 -1.26 -0.65 119.74 127.53 2x8n s LYS 48 Ca 0.37 -1.45 0.03 0.00 -0.36 0.00 0.00 55.97 54.56 2x8n s LYS 48 Cb -0.13 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 2x8n s LYS 48 CO 0.17 -0.85 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.16 2x8n s PHE 49 N 1.30 0.77 0.52 4.03 0.08 -1.05 -5.02 117.98 118.61 2x8n s PHE 49 Ca 0.02 -0.48 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 2x8n s PHE 49 Cb -0.21 -0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 2x8n s PHE 49 CO -0.00 -0.06 0.90 1.03 -0.10 0.00 0.00 175.22 176.99 2x8n s ARG 50 N -1.58 3.68 0.17 0.44 3.00 -1.26 -0.17 118.95 123.22 2x8n s ARG 50 Ca -0.08 0.56 -0.14 0.00 0.00 0.00 0.00 55.73 56.06 2x8n s ARG 50 Cb -0.10 -2.24 0.14 0.00 0.00 0.00 0.00 34.95 32.75 2x8n s ARG 50 CO 0.01 -0.30 1.72 -1.35 0.00 0.00 0.00 175.30 175.38 2x8n h PRO 51 N 0.37 0.22 0.00 3.54 0.11 -1.85 -2.69 132.00 131.70 2x8n h PRO 51 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2x8n h PRO 51 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2x8n h PRO 51 CO 0.62 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 2x8n n ASP 52 N -5.09 0.74 0.15 -2.05 5.68 -1.26 -2.10 116.55 112.61 2x8n n ASP 52 Ca 0.04 0.65 -0.14 0.00 -0.50 0.00 0.00 54.79 54.84 2x8n n ASP 52 Cb 0.20 -0.82 -0.08 0.00 -1.14 0.00 0.00 41.12 39.28 2x8n n ASP 52 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2x8n h ASP 53 N 0.00 -0.31 -3.58 -1.12 3.32 -1.83 -3.46 116.42 109.44 2x8n h ASP 53 Ca 0.00 -0.15 -0.50 0.00 0.02 0.00 0.00 57.03 56.40 2x8n h ASP 53 Cb 0.46 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2x8n h ASP 53 CO 0.00 -0.02 0.06 -0.76 -1.72 0.00 0.00 179.24 176.80 2x8n s LEU 54 N -9.68 3.87 0.13 1.55 1.43 -0.89 -4.82 118.68 110.26 2x8n s LEU 54 Ca -0.15 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 2x8n s LEU 54 Cb 0.03 -3.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 2x8n s LEU 54 CO 0.59 -0.36 1.58 -0.61 0.23 0.00 0.00 176.35 177.78 2x8n h GLN 55 N 1.30 0.70 -0.77 1.70 4.15 -1.56 -2.25 115.11 118.39 2x8n h GLN 55 Ca -0.47 -0.21 0.04 0.00 0.77 0.00 0.00 58.65 58.78 2x8n h GLN 55 Cb 1.19 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.76 2x8n h GLN 55 CO 0.64 0.77 0.48 0.00 -1.93 0.00 0.00 178.83 178.79 2x8n h ALA 56 N 0.90 1.03 -0.09 3.38 0.00 -1.85 -3.32 119.26 119.31 2x8n h ALA 56 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2x8n h ALA 56 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2x8n h ALA 56 CO 0.02 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.76 2x8n n THR 57 N -4.65 1.69 -2.15 0.00 -2.24 -1.19 -4.81 114.28 100.93 2x8n n THR 57 Ca 0.10 -1.78 -0.34 0.00 -2.27 0.00 0.00 64.05 59.75 2x8n n THR 57 Cb 0.12 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.27 1.87 0.00 4.78 5.04 -0.85 -1.89 117.35 124.03 2x8n s TYR 58 Ca 0.26 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.36 2x8n s TYR 58 Cb 0.22 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.33 2x8n s TYR 58 CO 0.05 -2.03 0.00 0.41 -1.34 0.00 0.00 175.55 172.64 2x8n n GLY 59 N 6.23 0.80 3.86 8.97 0.00 -1.26 -5.04 105.19 118.75 2x8n n GLY 59 Ca 0.27 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2x8n n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x8n s ALA 60 N -2.00 3.47 0.19 4.61 0.00 -0.79 -5.09 121.76 122.14 2x8n s ALA 60 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2x8n s ALA 60 Cb 0.00 -2.56 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 2x8n s ALA 60 CO 0.00 0.44 0.64 0.95 0.00 0.00 0.00 175.76 177.78 2x8n s THR 61 N -1.89 4.71 0.65 0.00 -4.23 -1.26 -4.99 115.64 108.65 2x8n s THR 61 Ca 0.50 1.05 0.39 0.00 -1.18 0.00 0.00 61.69 62.45 2x8n s THR 61 Cb -0.11 -3.79 0.41 0.00 1.34 0.00 0.00 72.50 70.35 2x8n s THR 61 CO 0.20 0.22 2.26 1.55 -0.54 0.00 0.00 174.62 178.31 2x8n h PRO 62 N 3.47 0.00 -0.38 3.99 0.13 -1.98 -1.39 132.00 135.83 2x8n h PRO 62 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2x8n h PRO 62 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2x8n h PRO 62 CO 0.65 0.00 -0.03 1.05 -0.23 0.00 0.00 178.00 179.45 2x8n h GLU 63 N 0.00 0.62 0.00 0.86 4.11 -2.01 -2.31 114.58 115.84 2x8n h GLU 63 Ca 0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2x8n h GLU 63 Cb 0.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2x8n h GLU 63 CO -0.00 0.66 0.00 1.96 0.07 0.00 0.00 179.01 181.70 2x8n h GLN 64 N 0.58 0.00 -0.70 1.06 4.20 -1.61 -3.13 115.11 115.51 2x8n h GLN 64 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2x8n h GLN 64 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2x8n h GLN 64 CO 0.02 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.46 2x8n n LEU 65 N -2.89 4.01 -0.10 1.46 4.77 -0.90 -3.70 117.00 119.65 2x8n n LEU 65 Ca 0.04 -2.01 -0.19 0.00 -0.03 0.00 0.00 56.01 53.81 2x8n n LEU 65 Cb 0.46 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2x8n n LEU 65 CO 0.32 0.92 -0.65 0.54 -1.33 0.00 0.00 177.39 177.18 2x8n n ARG 66 N 1.48 0.55 -2.68 3.23 1.74 -1.05 -4.30 116.66 115.63 2x8n n ARG 66 Ca 0.24 0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 2x8n n ARG 66 Cb 0.66 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.39 3.67 -0.01 5.56 -1.05 -1.24 -4.94 118.70 118.30 2x8n s GLU 67 Ca -0.28 -1.48 0.04 0.00 -0.15 0.00 0.00 54.97 53.09 2x8n s GLU 67 Cb 0.07 -5.25 -0.01 0.00 -0.44 0.00 0.00 34.13 28.49 2x8n s GLU 67 CO 0.50 -2.08 -0.12 0.42 0.95 0.00 0.00 175.26 174.93 2x8n s ILE 68 N 4.10 0.93 0.25 1.83 1.01 -1.26 -4.38 121.20 123.68 2x8n s ILE 68 Ca 0.43 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.66 2x8n s ILE 68 Cb -0.01 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 2x8n s ILE 68 CO -0.07 0.26 -0.10 -0.70 0.00 0.00 0.00 174.94 174.34 2x8n s GLU 69 N -0.24 1.49 0.71 2.79 2.12 -1.02 -4.99 118.70 119.55 2x8n s GLU 69 Ca 0.04 -1.72 -0.11 0.00 0.36 0.00 0.00 54.97 53.54 2x8n s GLU 69 Cb -0.05 -1.19 0.02 0.00 0.26 0.00 0.00 34.13 33.17 2x8n s GLU 69 CO -0.00 0.11 1.07 0.42 -0.54 0.00 0.00 175.26 176.32 2x8n s ILE 70 N -2.96 3.73 0.51 -3.70 -1.09 -1.26 -0.85 121.20 115.58 2x8n s ILE 70 Ca 0.27 0.60 -0.20 0.00 -2.23 0.00 0.00 60.65 59.09 2x8n s ILE 70 Cb 0.02 -3.22 -0.09 0.00 -1.58 0.00 0.00 42.46 37.59 2x8n s ILE 70 CO 0.10 -0.69 0.75 -1.20 -1.23 0.00 0.00 174.94 172.67 2x8n n SER 71 N -3.10 -0.03 0.29 3.58 7.64 -0.95 -3.76 113.62 117.29 2x8n n SER 71 Ca 0.08 0.86 0.19 0.00 1.01 0.00 0.00 58.87 61.01 2x8n n SER 71 Cb 0.53 -1.26 0.85 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.72 0.00 0.00 1.43 0.13 -1.93 -0.97 132.00 131.37 2x8n h PRO 72 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2x8n h PRO 72 Cb 1.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 2x8n h PRO 72 CO 0.51 0.00 -0.74 0.77 -0.23 0.00 0.00 178.00 178.31 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 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2x8n h SER 73 CO 0.00 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 2x8n n GLY 74 N 1.23 0.76 0.00 -3.77 0.00 -0.37 -4.95 105.19 98.09 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 1.77 0.00 0.99 4.77 -1.26 -3.43 117.00 119.84 2x8n n LEU 75 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2x8n n LEU 75 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2x8n n LEU 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2x8n n GLY 76 N 1.34 0.39 3.21 -0.72 0.00 -1.26 -1.12 105.19 107.03 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 2.81 1.02 -0.26 1.61 0.11 -0.60 -2.24 120.40 122.85 2x8n s VAL 77 Ca 0.00 -1.88 -0.03 0.00 -2.93 0.00 0.00 61.98 57.14 2x8n s VAL 77 Cb 0.00 -1.64 0.09 0.00 -1.53 0.00 0.00 36.38 33.29 2x8n s VAL 77 CO 0.00 -0.69 0.10 -0.47 -3.33 0.00 0.00 175.10 170.71 2x8n s TYR 78 N -3.02 0.86 -0.68 1.54 6.14 -0.03 -1.52 117.35 120.63 2x8n s TYR 78 Ca 0.12 -1.06 -0.27 0.00 0.64 0.00 0.00 57.07 56.50 2x8n s TYR 78 Cb 0.01 -1.14 0.02 0.00 0.42 0.00 0.00 41.96 41.26 2x8n s TYR 78 CO -0.00 -0.76 1.41 -0.06 0.64 0.00 0.00 175.55 176.78 2x8n s PHE 79 N 1.91 2.17 0.32 4.97 0.08 -0.20 -2.45 117.98 124.79 2x8n s PHE 79 Ca 0.06 0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.35 2x8n s PHE 79 Cb -0.17 -4.48 0.55 0.00 -0.57 0.00 0.00 43.02 38.35 2x8n s PHE 79 CO -0.24 -2.09 1.89 1.49 -0.10 0.00 0.00 175.22 176.17 2x8n h GLU 80 N 11.14 0.68 -0.91 0.44 4.81 -1.84 0.32 114.58 129.22 2x8n h GLU 80 Ca -0.27 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2x8n h GLU 80 Cb 1.08 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.30 2x8n h GLU 80 CO 1.25 0.61 0.54 1.15 -0.73 0.00 0.00 179.01 181.82 2x8n h THR 81 N 0.67 1.25 0.00 0.32 2.02 -1.88 -2.60 112.91 112.69 2x8n h THR 81 Ca 0.15 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2x8n h THR 81 Cb 0.23 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2x8n h THR 81 CO -0.01 0.27 -0.73 -0.07 0.37 0.00 0.00 175.52 175.35 2x8n h LEU 82 N 1.26 0.00 -0.83 2.58 3.38 -1.70 -3.48 115.31 116.52 2x8n h LEU 82 Ca 0.32 -0.15 -0.49 0.00 0.09 0.00 0.00 57.88 57.65 2x8n h LEU 82 Cb -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 2x8n h LEU 82 CO -0.06 0.08 -0.76 -0.62 0.09 0.00 0.00 178.44 177.17 2x8n n GLU 83 N -2.31 -4.50 -4.32 1.13 1.02 0.11 -4.99 120.64 106.78 2x8n n GLU 83 Ca 0.02 0.51 -0.19 0.00 -0.02 0.00 0.00 57.16 57.48 2x8n n GLU 83 Cb 0.48 -5.34 -0.13 0.00 -0.02 0.00 0.00 31.44 26.43 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 -6.66 0.86 -0.12 3.49 2.56 -0.99 -5.00 118.70 112.85 2x8n s GLU 84 Ca 0.67 -0.72 0.00 0.00 0.00 0.00 0.00 54.97 54.93 2x8n s GLU 84 Cb -0.35 -0.85 -0.02 0.00 2.00 0.00 0.00 34.13 34.92 2x8n s GLU 84 CO 0.82 0.21 -0.12 0.34 -0.56 0.00 0.00 175.26 175.95 2x8n s ASP 85 N -1.10 4.09 -0.39 -1.70 -1.08 -1.26 -1.03 116.67 114.20 2x8n s ASP 85 Ca 0.01 -0.28 -0.10 0.00 -0.52 0.00 0.00 52.55 51.65 2x8n s ASP 85 Cb -0.08 -1.48 0.04 0.00 -1.46 0.00 0.00 42.92 39.95 2x8n s ASP 85 CO 0.01 0.20 0.22 -0.69 0.52 0.00 0.00 175.17 175.43 2x8n s VAL 86 N 0.13 4.42 0.18 1.11 1.01 -0.57 -4.75 120.40 121.92 2x8n s VAL 86 Ca -0.06 -1.05 -0.32 0.00 0.00 0.00 0.00 61.98 60.56 2x8n s VAL 86 Cb -0.15 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 2x8n s VAL 86 CO 0.05 -0.32 1.69 -0.55 0.00 0.00 0.00 175.10 175.97 2x8n s SER 87 N 1.72 6.45 0.29 3.32 0.15 -1.26 -1.56 113.70 122.80 2x8n s SER 87 Ca 0.02 2.77 -0.01 0.00 0.70 0.00 0.00 55.95 59.43 2x8n s SER 87 Cb -0.20 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 61.93 2x8n s SER 87 CO 0.05 -0.93 1.85 0.25 1.20 0.00 0.00 173.24 175.66 2x8n h LEU 88 N 7.07 0.79 -0.55 3.45 5.85 -1.90 -2.36 115.31 127.66 2x8n h LEU 88 Ca -0.43 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.19 2x8n h LEU 88 Cb 1.20 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2x8n h LEU 88 CO 0.94 0.74 0.34 0.40 -0.34 0.00 0.00 178.44 180.53 2x8n h ILE 89 N 0.83 1.08 -0.43 4.05 1.08 -1.93 -0.49 117.51 121.70 2x8n h ILE 89 Ca 0.19 -0.24 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2x8n h ILE 89 Cb 0.23 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 2x8n h ILE 89 CO -0.01 0.13 0.26 1.23 -0.69 0.00 0.00 178.15 179.06 2x8n h GLY 90 N 0.69 0.60 1.46 5.37 0.00 -1.72 -1.39 103.07 108.08 2x8n h GLY 90 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2x8n h GLY 90 CO -0.08 0.17 0.22 1.41 0.00 0.00 0.00 176.54 178.26 2x8n h LEU 91 N 0.52 0.64 -0.31 3.11 3.38 -0.79 0.29 115.31 122.15 2x8n h LEU 91 Ca 0.17 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 2x8n h LEU 91 Cb -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2x8n h LEU 91 CO -0.07 0.56 -0.86 -0.07 0.09 0.00 0.00 178.44 178.10 2x8n h LEU 92 N 0.70 0.28 -1.14 1.67 3.38 -0.94 -3.25 115.31 116.02 2x8n h LEU 92 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2x8n h LEU 92 Cb 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2x8n h LEU 92 CO -0.02 1.01 -0.05 -0.62 0.09 0.00 0.00 178.44 178.85 2x8n n GLU 93 N -3.69 1.71 -0.62 1.13 -0.58 -0.54 -4.94 120.64 113.11 2x8n n GLU 93 Ca -0.04 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 2x8n n GLU 93 Cb 0.79 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 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 1.25 1.70 3.63 0.62 0.00 0.38 -5.00 105.19 107.76 2x8n n GLY 94 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.02 3.78 0.18 1.61 3.00 0.75 -4.91 118.95 123.34 2x8n s ARG 95 Ca 0.00 1.45 0.26 0.00 0.00 0.00 0.00 55.73 57.44 2x8n s ARG 95 Cb 0.00 -4.00 0.89 0.00 0.00 0.00 0.00 34.95 31.85 2x8n s ARG 95 CO 0.00 -1.30 1.79 0.54 0.00 0.00 0.00 175.30 176.33 2x8n n ARG 96 N 7.64 0.21 0.00 3.54 1.74 -1.26 -3.61 116.66 124.91 2x8n n ARG 96 Ca 0.18 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2x8n n ARG 96 Cb 0.46 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.21 0.92 3.82 -0.13 0.00 -1.26 -1.52 105.19 108.23 2x8n n GLY 97 Ca 0.05 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 2.00 6.41 0.48 1.61 1.04 -1.26 -4.93 113.70 119.05 2x8n s SER 98 Ca 0.00 1.74 0.13 0.00 0.48 0.00 0.00 55.95 58.30 2x8n s SER 98 Cb 0.00 -2.53 1.12 0.00 0.10 0.00 0.00 66.02 64.71 2x8n s SER 98 CO 0.00 -0.73 2.11 0.00 0.98 0.00 0.00 173.24 175.60 2x8n h ALA 99 N 1.16 1.88 0.68 5.32 0.00 -2.01 -1.29 119.26 125.01 2x8n h ALA 99 Ca -0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2x8n h ALA 99 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2x8n h ALA 99 CO 0.60 0.10 -0.45 -0.22 0.00 0.00 0.00 179.25 179.28 2x8n h LYS 100 N 0.16 -1.04 -0.17 0.00 1.63 -1.99 -1.86 116.57 113.30 2x8n h LYS 100 Ca 0.04 0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2x8n h LYS 100 Cb 0.02 0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 2x8n h LYS 100 CO -0.01 -0.69 0.06 2.35 -3.45 0.00 0.00 179.45 177.71 2x8n h TRP 101 N -1.08 0.11 0.00 1.91 7.01 -1.83 -2.48 115.95 119.58 2x8n h TRP 101 Ca -0.09 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.88 2x8n h TRP 101 Cb 0.88 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 2x8n h TRP 101 CO -0.13 0.06 -0.20 0.52 -2.79 0.00 0.00 178.44 175.90 2x8n h MET 102 N 0.15 0.00 0.08 2.65 2.86 -1.28 0.18 114.93 119.57 2x8n h MET 102 Ca 0.07 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.45 2x8n h MET 102 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2x8n h MET 102 CO -0.07 0.20 -1.24 0.00 1.06 0.00 0.00 176.91 176.86 2x8n h ALA 103 N 1.80 0.23 0.00 6.32 0.00 -1.00 -3.32 119.26 123.29 2x8n h ALA 103 Ca -0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 2x8n h ALA 103 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2x8n h ALA 103 CO 0.03 1.11 -1.55 0.39 0.00 0.00 0.00 179.25 179.23 2x8n n GLU 104 N -3.44 0.63 -3.84 0.00 1.02 -0.97 -4.62 120.64 109.43 2x8n n GLU 104 Ca -0.07 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 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 -3.20 2.89 0.81 -0.32 3.76 0.63 -5.10 115.29 114.76 2x8n s HIS 105 Ca -0.04 -3.00 -0.11 0.00 -0.15 0.00 0.00 55.06 51.75 2x8n s HIS 105 Cb 0.10 -2.44 0.08 0.00 1.11 0.00 0.00 32.58 31.44 2x8n s HIS 105 CO 0.84 -0.69 1.13 -1.25 -0.85 0.00 0.00 174.74 173.91 2x8n s PRO 106 N -0.52 1.82 0.20 8.40 0.04 -1.25 -4.40 135.00 139.30 2x8n s PRO 106 Ca 0.21 1.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.55 2x8n s PRO 106 Cb -0.16 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2x8n s PRO 106 CO -0.07 -2.01 0.53 -1.17 0.04 0.00 0.00 177.00 174.32 2x8n s LEU 107 N -6.00 4.21 -1.02 -3.56 2.96 -1.26 -5.01 118.68 109.00 2x8n s LEU 107 Ca 0.65 0.91 -0.23 0.00 -0.22 0.00 0.00 54.13 55.24 2x8n s LEU 107 Cb -0.21 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2x8n s LEU 107 CO 0.54 -0.02 1.84 0.00 -1.32 0.00 0.00 176.35 177.39 2x8n s ALA 108 N -1.72 2.01 0.00 5.97 0.00 -1.26 -5.20 121.76 121.56 2x8n s ALA 108 Ca 0.44 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2x8n s ALA 108 Cb -0.12 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.41 2x8n s ALA 108 CO 0.21 -4.58 0.00 -1.13 0.00 0.00 0.00 175.76 170.26