#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 3.18 -0.46 0.03 0.41 -1.26 -4.86 118.70 115.75 2x8n s GLU 2 Ca 0.00 -0.64 0.07 0.00 -0.41 0.00 0.00 54.97 53.99 2x8n s GLU 2 Cb 0.00 -4.16 0.25 0.00 -1.78 0.00 0.00 34.13 28.44 2x8n s GLU 2 CO 0.00 -1.67 0.81 1.55 -0.49 0.00 0.00 175.26 175.46 2x8n n VAL 3 N 6.00 -0.18 -1.98 2.63 3.14 -1.26 -5.12 118.33 121.56 2x8n n VAL 3 Ca -0.02 -2.25 -0.42 0.00 -2.96 0.00 0.00 64.34 58.69 2x8n n VAL 3 Cb 0.46 0.56 -0.03 0.00 -1.06 0.00 0.00 33.84 33.78 2x8n n VAL 3 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2x8n s SER 4 N -1.56 5.70 0.12 6.55 1.04 -1.26 -4.78 113.70 119.51 2x8n s SER 4 Ca 0.32 1.11 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 2x8n s SER 4 Cb 0.23 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 2x8n s SER 4 CO -0.19 -1.90 0.12 0.00 0.98 0.00 0.00 173.24 172.26 2x8n s ALA 5 N 7.58 0.41 0.35 5.32 0.00 -1.26 -4.98 121.76 129.19 2x8n s ALA 5 Ca 0.78 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.65 2x8n s ALA 5 Cb -0.20 0.71 0.66 0.00 0.00 0.00 0.00 23.12 24.29 2x8n s ALA 5 CO 0.31 -0.51 1.90 -2.95 0.00 0.00 0.00 175.76 174.51 2x8n h ASN 6 N 2.81 0.45 0.88 0.00 -1.07 -1.95 -0.85 115.58 115.86 2x8n h ASN 6 Ca -0.34 -0.08 -0.08 0.00 0.07 0.00 0.00 56.30 55.88 2x8n h ASN 6 Cb 1.20 -0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 37.32 2x8n h ASN 6 CO 0.57 0.51 -0.37 1.05 0.07 0.00 0.00 177.43 179.26 2x8n h GLU 7 N 0.47 0.00 -0.38 4.14 4.11 -1.97 -2.45 114.58 118.50 2x8n h GLU 7 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2x8n h GLU 7 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2x8n h GLU 7 CO 0.01 0.37 0.00 1.28 0.07 0.00 0.00 179.01 180.74 2x8n n LEU 8 N -3.51 1.98 -4.15 3.06 7.99 -0.61 -4.93 117.00 116.83 2x8n n LEU 8 Ca -0.00 -0.99 -0.35 0.00 -0.01 0.00 0.00 56.01 54.66 2x8n n LEU 8 Cb 0.51 -0.25 -0.04 0.00 -0.11 0.00 0.00 43.42 43.53 2x8n n LEU 8 CO 0.37 0.48 -0.06 -1.84 -1.51 0.00 0.00 177.39 174.82 2x8n n GLU 9 N 0.54 -2.45 -0.27 3.23 0.28 -0.86 -4.68 120.64 116.43 2x8n n GLU 9 Ca 0.12 0.30 0.14 0.00 -0.16 0.00 0.00 57.16 57.55 2x8n n GLU 9 Cb 0.32 -4.97 0.40 0.00 1.43 0.00 0.00 31.44 28.62 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 0.91 1.90 0.03 -1.84 0.00 -1.43 0.47 119.26 119.30 2x8n h ALA 10 Ca -0.55 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2x8n h ALA 10 Cb 1.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2x8n h ALA 10 CO 0.76 -0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 2x8n h ALA 11 N 1.61 -0.04 -0.12 0.00 0.00 -1.88 -0.36 119.26 118.46 2x8n h ALA 11 Ca 0.47 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 2x8n h ALA 11 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2x8n h ALA 11 CO -0.22 -0.50 -0.47 1.03 0.00 0.00 0.00 179.25 179.09 2x8n h SER 12 N -0.09 0.32 -0.20 0.00 0.87 -1.36 -2.72 113.55 110.37 2x8n h SER 12 Ca -0.00 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 2x8n h SER 12 Cb 0.08 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2x8n h SER 12 CO 0.01 0.75 -0.02 0.28 -0.53 0.00 0.00 176.83 177.32 2x8n h SER 13 N 0.24 0.36 0.33 6.23 0.02 -0.86 -1.14 113.55 118.74 2x8n h SER 13 Ca 0.01 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2x8n h SER 13 Cb 0.92 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2x8n h SER 13 CO 0.08 0.60 -0.16 0.03 -1.14 0.00 0.00 176.83 176.24 2x8n h ARG 14 N 0.11 -0.43 -0.71 3.45 2.47 -1.09 -2.28 114.38 115.91 2x8n h ARG 14 Ca 0.06 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.94 2x8n h ARG 14 Cb 0.43 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 28.75 2x8n h ARG 14 CO 0.01 -0.22 0.24 0.52 0.56 0.00 0.00 179.97 181.08 2x8n h MET 15 N -0.54 0.37 0.15 0.04 2.86 -1.49 0.43 114.93 116.76 2x8n h MET 15 Ca -0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2x8n h MET 15 Cb 0.40 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2x8n h MET 15 CO 0.07 0.25 -0.14 1.49 1.06 0.00 0.00 176.91 179.65 2x8n h GLU 16 N 0.38 -0.30 -0.32 1.72 4.57 -1.11 -1.41 114.58 118.12 2x8n h GLU 16 Ca 0.38 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.57 2x8n h GLU 16 Cb 0.58 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2x8n h GLU 16 CO -0.40 -0.20 0.14 0.52 -1.18 0.00 0.00 179.01 177.89 2x8n h MET 17 N -0.31 0.47 -0.40 1.92 2.86 -0.79 -2.89 114.93 115.78 2x8n h MET 17 Ca -0.00 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2x8n h MET 17 Cb 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2x8n h MET 17 CO -0.03 0.45 0.20 -0.07 1.06 0.00 0.00 176.91 178.52 2x8n h LEU 18 N 0.38 0.49 0.12 1.22 3.38 -0.83 0.28 115.31 120.34 2x8n h LEU 18 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2x8n h LEU 18 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2x8n h LEU 18 CO -0.01 0.42 -0.06 1.56 0.09 0.00 0.00 178.44 180.44 2x8n h GLN 19 N 0.56 -0.15 -0.00 1.13 4.20 -1.06 -0.98 115.11 118.81 2x8n h GLN 19 Ca 0.14 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2x8n h GLN 19 Cb 0.06 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2x8n h GLN 19 CO -0.02 0.02 -0.32 2.89 -0.67 0.00 0.00 178.83 180.73 2x8n n ARG 20 N -5.09 0.21 -0.03 1.46 1.85 -0.96 -3.46 116.66 110.64 2x8n n ARG 20 Ca -0.08 -0.10 -0.03 0.00 -1.00 0.00 0.00 57.85 56.64 2x8n n ARG 20 Cb 0.14 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.31 0.17 0.00 2.89 4.07 0.94 -4.92 120.64 122.48 2x8n n GLU 21 Ca 0.08 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 2x8n n GLU 21 Cb 0.33 -0.85 0.00 0.00 -0.06 0.00 0.00 31.44 30.86 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 -3.13 0.00 -3.60 4.31 4.02 -0.40 -5.06 117.16 113.30 2x8n n TYR 22 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.82 2x8n n TYR 22 Cb 0.16 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.47 -0.13 -0.02 7.72 1.04 -1.00 -5.02 113.70 114.82 2x8n s SER 23 Ca 0.00 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2x8n s SER 23 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2x8n s SER 23 CO 0.00 -0.31 -0.06 0.42 0.98 0.00 0.00 173.24 174.26 2x8n s THR 24 N -2.51 0.56 0.02 2.02 -4.23 -1.26 -4.28 115.64 105.97 2x8n s THR 24 Ca 0.11 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.07 2x8n s THR 24 Cb 0.01 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 2x8n s THR 24 CO -0.04 0.18 0.93 -0.22 -0.54 0.00 0.00 174.62 174.92 2x8n s LEU 25 N 0.16 4.40 -0.26 4.79 2.96 -0.74 -1.35 118.68 128.65 2x8n s LEU 25 Ca -0.02 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.54 2x8n s LEU 25 Cb -0.06 -3.49 -0.17 0.00 0.50 0.00 0.00 46.19 42.96 2x8n s LEU 25 CO -0.00 -0.17 -0.22 -2.11 -1.32 0.00 0.00 176.35 172.53 2x8n n ARG 26 N 3.51 0.65 -3.53 1.98 1.85 -0.73 -4.77 116.66 115.63 2x8n n ARG 26 Ca 0.04 0.15 -0.12 0.00 -1.00 0.00 0.00 57.85 56.92 2x8n n ARG 26 Cb 0.50 -1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 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 -6.51 -0.41 0.01 2.89 0.01 -0.79 -4.95 113.70 103.94 2x8n s SER 27 Ca -0.35 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 2x8n s SER 27 Cb 0.09 0.53 -0.01 0.00 0.21 0.00 0.00 66.02 66.84 2x8n s SER 27 CO 0.60 -0.89 0.00 -0.69 0.41 0.00 0.00 173.24 172.68 2x8n s VAL 28 N -3.59 0.07 -0.00 3.43 1.01 -1.26 -0.38 120.40 119.67 2x8n s VAL 28 Ca 0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2x8n s VAL 28 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 2x8n s VAL 28 CO -0.11 -0.31 0.03 0.00 0.00 0.00 0.00 175.10 174.71 2x8n s GLN 29 N -0.91 0.17 -0.30 2.72 -2.07 -0.64 -4.93 119.66 113.70 2x8n s GLN 29 Ca -0.10 -0.19 -0.17 0.00 -1.82 0.00 0.00 55.36 53.09 2x8n s GLN 29 Cb -0.06 0.07 -0.02 0.00 -1.09 0.00 0.00 33.01 31.90 2x8n s GLN 29 CO -0.00 -0.03 0.45 -0.47 -1.32 0.00 0.00 175.29 173.92 2x8n s TYR 30 N -0.56 3.23 -0.56 9.60 6.14 -1.13 -0.32 117.35 133.75 2x8n s TYR 30 Ca -0.06 0.36 -0.16 0.00 0.64 0.00 0.00 57.07 57.85 2x8n s TYR 30 Cb -0.04 -2.72 0.13 0.00 0.42 0.00 0.00 41.96 39.75 2x8n s TYR 30 CO -0.00 -0.35 0.53 1.03 0.64 0.00 0.00 175.55 177.39 2x8n s ARG 31 N 2.22 3.02 0.59 4.97 0.52 -0.13 -4.91 118.95 125.25 2x8n s ARG 31 Ca 0.17 -1.72 0.37 0.00 -0.52 0.00 0.00 55.73 54.03 2x8n s ARG 31 Cb -0.16 -4.31 1.85 0.00 0.52 0.00 0.00 34.95 32.85 2x8n s ARG 31 CO 0.11 -1.34 2.17 0.66 0.02 0.00 0.00 175.30 176.92 2x8n h SER 32 N 8.85 0.00 -0.98 0.23 4.64 -1.94 0.25 113.55 124.60 2x8n h SER 32 Ca -0.28 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.16 2x8n h SER 32 Cb 1.10 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.10 2x8n h SER 32 CO 1.03 0.03 0.62 -0.33 -0.87 0.00 0.00 176.83 177.31 2x8n h GLU 33 N 0.00 0.92 0.00 4.77 5.08 -1.94 -2.99 114.58 120.42 2x8n h GLU 33 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2x8n h GLU 33 Cb 0.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2x8n h GLU 33 CO 0.00 0.61 -0.89 0.39 -1.00 0.00 0.00 179.01 178.12 2x8n n GLU 34 N -4.61 2.11 -2.57 2.33 -0.58 -0.79 -5.01 120.64 111.51 2x8n n GLU 34 Ca 0.19 -0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.75 2x8n n GLU 34 Cb 0.37 -1.16 0.01 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.14 3.17 0.62 0.00 0.81 -5.03 105.19 106.05 2x8n n GLY 35 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.85 0.70 -0.41 1.61 -7.23 -0.82 -4.38 120.40 107.01 2x8n s VAL 36 Ca 0.13 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.24 2x8n s VAL 36 Cb -0.06 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.26 2x8n s VAL 36 CO 0.16 -0.85 0.36 -0.63 -0.31 0.00 0.00 175.10 173.83 2x8n s ILE 37 N -3.51 5.18 -0.53 -0.62 1.01 0.12 -0.96 121.20 121.90 2x8n s ILE 37 Ca 0.11 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 60.05 2x8n s ILE 37 Cb 0.04 -3.97 0.05 0.00 0.01 0.00 0.00 42.46 38.59 2x8n s ILE 37 CO -0.04 -0.35 0.83 -0.69 0.00 0.00 0.00 174.94 174.68 2x8n s VAL 38 N 1.90 4.57 -0.79 2.92 1.01 0.56 -2.37 120.40 128.20 2x8n s VAL 38 Ca 0.08 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 2x8n s VAL 38 Cb -0.18 -4.44 0.05 0.00 0.00 0.00 0.00 36.38 31.81 2x8n s VAL 38 CO 0.12 -0.98 1.21 -0.36 0.00 0.00 0.00 175.10 175.09 2x8n s PHE 39 N 3.47 2.52 -0.32 5.22 0.08 0.11 -1.63 117.98 127.42 2x8n s PHE 39 Ca 0.25 -0.46 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 2x8n s PHE 39 Cb -0.15 -4.52 0.01 0.00 -0.57 0.00 0.00 43.02 37.80 2x8n s PHE 39 CO 0.17 -1.88 1.20 0.42 -0.10 0.00 0.00 175.22 175.04 2x8n s ILE 40 N 4.84 4.28 0.32 0.64 1.01 0.49 -1.33 121.20 131.46 2x8n s ILE 40 Ca 0.33 1.45 -0.14 0.00 0.00 0.00 0.00 60.65 62.29 2x8n s ILE 40 Cb -0.09 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.01 2x8n s ILE 40 CO 0.07 -0.52 0.72 -0.76 0.00 0.00 0.00 174.94 174.45 2x8n s LEU 41 N 4.11 4.05 0.58 2.97 1.43 0.06 -1.77 118.68 130.11 2x8n s LEU 41 Ca 0.52 1.24 0.36 0.00 -1.03 0.00 0.00 54.13 55.22 2x8n s LEU 41 Cb -0.14 -4.04 1.65 0.00 0.03 0.00 0.00 46.19 43.68 2x8n s LEU 41 CO 0.21 -0.21 2.09 0.00 0.23 0.00 0.00 176.35 178.67 2x8n h ALA 42 N 2.20 1.01 -0.29 4.21 0.00 -1.51 -1.66 119.26 123.22 2x8n h ALA 42 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2x8n h ALA 42 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2x8n h ALA 42 CO 0.66 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.19 2x8n n ASN 43 N -3.11 3.29 -3.29 0.00 6.94 -1.26 -4.93 115.26 112.91 2x8n n ASN 43 Ca -0.00 -2.44 -0.16 0.00 -0.02 0.00 0.00 54.58 51.96 2x8n n ASN 43 Cb 0.24 -0.58 0.08 0.00 -2.36 0.00 0.00 39.78 37.17 2x8n n ASN 43 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2x8n n ASP 44 N 0.32 -3.45 -3.87 0.53 2.03 -0.62 -5.04 116.55 106.46 2x8n n ASP 44 Ca 0.14 -0.62 -0.24 0.00 0.52 0.00 0.00 54.79 54.59 2x8n n ASP 44 Cb 0.70 -4.98 -0.17 0.00 -0.72 0.00 0.00 41.12 35.96 2x8n n ASP 44 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2x8n s ARG 45 N -5.00 1.08 -0.56 -0.67 3.52 -1.24 -4.97 118.95 111.11 2x8n s ARG 45 Ca 0.14 -0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.42 2x8n s ARG 45 Cb -0.02 -1.20 0.07 0.00 -1.56 0.00 0.00 34.95 32.23 2x8n s ARG 45 CO 0.70 -0.21 0.78 -1.21 -0.81 0.00 0.00 175.30 174.55 2x8n s GLU 46 N 1.53 3.15 -0.42 5.12 2.02 -1.26 -0.76 118.70 128.08 2x8n s GLU 46 Ca -0.00 -0.83 -0.28 0.00 0.02 0.00 0.00 54.97 53.88 2x8n s GLU 46 Cb -0.13 -4.15 0.02 0.00 0.10 0.00 0.00 34.13 29.97 2x8n s GLU 46 CO -0.04 -1.47 1.07 -0.51 0.02 0.00 0.00 175.26 174.33 2x8n s LEU 47 N 3.23 3.80 -0.41 1.80 1.43 -0.44 -4.90 118.68 123.19 2x8n s LEU 47 Ca 0.19 0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 2x8n s LEU 47 Cb -0.18 -3.48 0.04 0.00 0.03 0.00 0.00 46.19 42.60 2x8n s LEU 47 CO 0.12 -1.08 0.28 -0.75 0.23 0.00 0.00 176.35 175.15 2x8n s LYS 48 N 4.04 2.86 -0.03 1.70 2.20 -1.26 -0.72 119.74 128.54 2x8n s LYS 48 Ca 0.45 -1.17 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 2x8n s LYS 48 Cb -0.09 -3.89 0.02 0.00 -1.51 0.00 0.00 37.83 32.36 2x8n s LYS 48 CO 0.25 -0.82 -0.01 -0.06 -0.36 0.00 0.00 175.35 174.36 2x8n s PHE 49 N 1.59 0.33 0.49 4.03 0.08 -1.00 -5.00 117.98 118.50 2x8n s PHE 49 Ca 0.03 -0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 2x8n s PHE 49 Cb -0.21 -0.38 -0.07 0.00 -0.57 0.00 0.00 43.02 41.80 2x8n s PHE 49 CO 0.07 -0.11 1.16 1.03 -0.10 0.00 0.00 175.22 177.27 2x8n s ARG 50 N 0.81 3.59 0.20 0.44 0.52 -1.26 -0.70 118.95 122.55 2x8n s ARG 50 Ca -0.08 1.73 -0.11 0.00 -0.52 0.00 0.00 55.73 56.75 2x8n s ARG 50 Cb -0.12 -2.25 0.14 0.00 0.52 0.00 0.00 34.95 33.24 2x8n s ARG 50 CO -0.01 -0.69 1.87 -1.00 0.02 0.00 0.00 175.30 175.49 2x8n h PRO 51 N 1.72 0.93 0.00 3.54 0.13 -1.86 -2.05 132.00 134.41 2x8n h PRO 51 Ca -0.50 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2x8n h PRO 51 Cb 1.25 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2x8n h PRO 51 CO 0.59 0.62 0.00 -0.44 -0.23 0.00 0.00 178.00 178.54 2x8n h ASP 52 N 0.96 0.00 0.54 1.44 5.19 -1.94 -2.00 116.42 120.61 2x8n h ASP 52 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2x8n h ASP 52 Cb -0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.41 2x8n h ASP 52 CO -0.06 0.00 -0.27 -0.67 -3.12 0.00 0.00 179.24 175.11 2x8n n ASP 53 N -2.51 0.46 -4.59 6.45 4.64 -0.79 -4.84 116.55 115.36 2x8n n ASP 53 Ca 0.03 -0.25 -0.27 0.00 -1.38 0.00 0.00 54.79 52.92 2x8n n ASP 53 Cb 0.33 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.32 2x8n n ASP 53 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2x8n s LEU 54 N -2.81 3.05 -0.05 -2.67 1.43 -0.75 -4.78 118.68 112.10 2x8n s LEU 54 Ca 0.17 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 2x8n s LEU 54 Cb 0.19 -1.75 -0.20 0.00 0.03 0.00 0.00 46.19 44.46 2x8n s LEU 54 CO 0.59 0.11 1.06 -0.61 0.23 0.00 0.00 176.35 177.74 2x8n h GLN 55 N 2.98 -0.07 -0.86 1.70 4.15 -1.69 -2.93 115.11 118.40 2x8n h GLN 55 Ca -0.47 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.13 2x8n h GLN 55 Cb 1.20 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.84 2x8n h GLN 55 CO 0.55 0.48 0.56 0.00 -1.93 0.00 0.00 178.83 178.49 2x8n h ALA 56 N 0.17 2.10 -0.03 3.38 0.00 -1.84 -2.97 119.26 120.07 2x8n h ALA 56 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2x8n h ALA 56 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2x8n h ALA 56 CO 0.01 -0.35 -0.10 0.25 0.00 0.00 0.00 179.25 179.06 2x8n n THR 57 N -4.52 2.01 -2.13 0.00 -2.24 -1.25 -4.84 114.28 101.32 2x8n n THR 57 Ca 0.17 -2.44 -0.29 0.00 -2.27 0.00 0.00 64.05 59.22 2x8n n THR 57 Cb 0.60 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.96 1.96 0.00 4.78 5.04 -1.10 -2.05 117.35 123.02 2x8n s TYR 58 Ca 0.34 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 2x8n s TYR 58 Cb 0.31 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.49 2x8n s TYR 58 CO 0.01 -1.62 0.00 0.41 -1.34 0.00 0.00 175.55 173.01 2x8n n GLY 59 N 6.52 0.87 3.77 8.97 0.00 -1.26 -5.03 105.19 119.04 2x8n n GLY 59 Ca 0.41 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 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 3.28 0.40 4.61 0.00 -0.87 -5.05 121.76 122.13 2x8n s ALA 60 Ca 0.00 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.25 2x8n s ALA 60 Cb 0.00 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 2x8n s ALA 60 CO 0.00 0.20 1.07 0.95 0.00 0.00 0.00 175.76 177.98 2x8n s THR 61 N -1.43 3.61 0.60 0.00 -4.23 -1.26 -4.95 115.64 107.98 2x8n s THR 61 Ca 0.46 1.25 0.30 0.00 -1.18 0.00 0.00 61.69 62.52 2x8n s THR 61 Cb -0.21 -3.66 0.36 0.00 1.34 0.00 0.00 72.50 70.33 2x8n s THR 61 CO 0.27 0.03 2.21 1.55 -0.54 0.00 0.00 174.62 178.14 2x8n h PRO 62 N 2.53 0.00 -0.31 3.99 0.13 -1.96 -1.41 132.00 134.97 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 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2x8n h PRO 62 CO 0.62 0.00 -0.17 1.05 -0.23 0.00 0.00 178.00 179.27 2x8n h GLU 63 N 0.00 0.55 0.00 0.86 4.11 -2.01 -2.50 114.58 115.60 2x8n h GLU 63 Ca 0.02 -0.18 -0.00 0.00 0.07 0.00 0.00 59.36 59.27 2x8n h GLU 63 Cb 0.15 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2x8n h GLU 63 CO -0.00 0.70 -0.02 1.96 0.07 0.00 0.00 179.01 181.72 2x8n h GLN 64 N 0.50 0.00 -0.70 1.06 4.20 -1.62 -3.18 115.11 115.37 2x8n h GLN 64 Ca 0.08 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 2x8n h GLN 64 Cb 0.59 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 2x8n h GLN 64 CO 0.04 0.02 0.16 1.28 -0.67 0.00 0.00 178.83 179.66 2x8n n LEU 65 N -3.11 5.78 -0.05 1.46 4.77 -0.95 -3.94 117.00 120.96 2x8n n LEU 65 Ca 0.02 -2.98 -0.11 0.00 -0.03 0.00 0.00 56.01 52.91 2x8n n LEU 65 Cb 0.42 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2x8n n LEU 65 CO 0.31 0.71 -0.76 0.54 -1.33 0.00 0.00 177.39 176.85 2x8n n ARG 66 N 0.18 0.28 -2.34 3.23 1.74 -1.20 -2.82 116.66 115.72 2x8n n ARG 66 Ca 0.34 0.12 -0.37 0.00 -0.77 0.00 0.00 57.85 57.17 2x8n n ARG 66 Cb 1.27 -0.98 -0.04 0.00 -1.02 0.00 0.00 32.46 31.70 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 -2.31 3.09 0.00 5.56 -1.05 -1.25 -4.94 118.70 117.79 2x8n s GLU 67 Ca -0.18 -0.45 0.02 0.00 -0.15 0.00 0.00 54.97 54.21 2x8n s GLU 67 Cb 0.06 -4.88 -0.01 0.00 -0.44 0.00 0.00 34.13 28.86 2x8n s GLU 67 CO 0.23 -2.58 -0.06 0.42 0.95 0.00 0.00 175.26 174.22 2x8n s ILE 68 N 7.10 0.46 0.23 1.83 1.01 -1.26 -4.48 121.20 126.09 2x8n s ILE 68 Ca 0.53 -0.35 0.10 0.00 0.00 0.00 0.00 60.65 60.94 2x8n s ILE 68 Cb -0.05 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2x8n s ILE 68 CO 0.02 0.07 -0.13 -0.70 0.00 0.00 0.00 174.94 174.20 2x8n s GLU 69 N -0.31 1.91 0.68 2.79 2.12 -0.99 -4.95 118.70 119.95 2x8n s GLU 69 Ca 0.01 -1.47 -0.12 0.00 0.36 0.00 0.00 54.97 53.75 2x8n s GLU 69 Cb -0.03 -2.00 0.01 0.00 0.26 0.00 0.00 34.13 32.36 2x8n s GLU 69 CO -0.00 0.39 1.06 0.42 -0.54 0.00 0.00 175.26 176.59 2x8n s ILE 70 N -2.03 3.86 0.83 -3.70 -1.09 -1.26 -0.95 121.20 116.86 2x8n s ILE 70 Ca 0.27 0.67 -0.13 0.00 -2.23 0.00 0.00 60.65 59.22 2x8n s ILE 70 Cb -0.07 -3.32 0.06 0.00 -1.58 0.00 0.00 42.46 37.55 2x8n s ILE 70 CO 0.15 -0.73 0.97 -1.54 -1.23 0.00 0.00 174.94 172.56 2x8n n SER 71 N -2.94 0.14 0.17 3.58 3.41 -0.79 -3.80 113.62 113.40 2x8n n SER 71 Ca 0.08 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 2x8n n SER 71 Cb 0.53 -1.41 0.59 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 -1.02 0.00 -0.01 4.33 0.13 -1.92 -1.99 132.00 131.51 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2x8n h PRO 72 CO 0.43 0.00 -0.63 0.43 -0.23 0.00 0.00 178.00 178.00 2x8n n SER 73 N -2.39 1.68 0.00 1.44 7.64 -1.26 -4.99 113.62 115.74 2x8n n SER 73 Ca 0.00 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.55 2x8n n SER 73 Cb 0.17 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 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 1.44 2.77 0.00 0.23 0.00 -0.75 -4.87 105.19 104.01 2x8n n GLY 74 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.31 0.00 0.99 4.77 -1.26 -2.19 117.00 119.62 2x8n n LEU 75 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2x8n n LEU 75 Cb 0.00 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2x8n n LEU 75 CO 0.00 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 2x8n n GLY 76 N -0.21 1.46 3.46 -0.72 0.00 -1.26 -1.78 105.19 106.14 2x8n n GLY 76 Ca 0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 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 2.80 2.03 -0.20 1.61 0.11 -0.69 -1.88 120.40 124.18 2x8n s VAL 77 Ca 0.00 -2.23 -0.03 0.00 -2.93 0.00 0.00 61.98 56.79 2x8n s VAL 77 Cb 0.00 -2.42 0.06 0.00 -1.53 0.00 0.00 36.38 32.50 2x8n s VAL 77 CO 0.00 -0.33 0.05 -0.47 -3.33 0.00 0.00 175.10 171.02 2x8n s TYR 78 N -2.77 0.92 -0.72 1.54 6.14 -0.13 -2.45 117.35 119.89 2x8n s TYR 78 Ca 0.29 -0.85 -0.26 0.00 0.64 0.00 0.00 57.07 56.89 2x8n s TYR 78 Cb 0.01 -1.02 0.04 0.00 0.42 0.00 0.00 41.96 41.40 2x8n s TYR 78 CO 0.13 -0.63 1.23 -0.06 0.64 0.00 0.00 175.55 176.86 2x8n s PHE 79 N 1.89 2.36 0.25 4.97 0.08 -0.08 -2.35 117.98 125.10 2x8n s PHE 79 Ca 0.01 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 2x8n s PHE 79 Cb -0.17 -4.57 0.27 0.00 -0.57 0.00 0.00 43.02 37.98 2x8n s PHE 79 CO -0.11 -1.98 1.92 1.49 -0.10 0.00 0.00 175.22 176.44 2x8n h GLU 80 N 9.93 1.29 0.00 0.44 4.81 -1.81 0.30 114.58 129.54 2x8n h GLU 80 Ca -0.28 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 2x8n h GLU 80 Cb 1.05 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 2x8n h GLU 80 CO 1.26 0.85 -0.12 1.15 -0.73 0.00 0.00 179.01 181.42 2x8n h THR 81 N 1.33 0.75 0.00 0.32 2.02 -1.87 -2.41 112.91 113.05 2x8n h THR 81 Ca 0.37 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2x8n h THR 81 Cb -0.13 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2x8n h THR 81 CO -0.09 0.12 -1.24 0.18 0.37 0.00 0.00 175.52 174.86 2x8n n LEU 82 N -3.91 0.43 -2.00 2.58 4.77 -0.93 -4.99 117.00 112.95 2x8n n LEU 82 Ca -0.02 -0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 55.49 2x8n n LEU 82 Cb 0.21 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2x8n n LEU 82 CO 0.32 0.11 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.63 2x8n n GLU 83 N -1.71 -1.50 -4.10 3.23 1.02 0.05 -5.00 120.64 112.63 2x8n n GLU 83 Ca 0.00 1.03 -0.14 0.00 -0.02 0.00 0.00 57.16 58.03 2x8n n GLU 83 Cb 0.34 -5.54 -0.12 0.00 -0.02 0.00 0.00 31.44 26.11 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 -4.56 0.62 0.34 3.49 2.02 -1.00 -5.02 118.70 114.59 2x8n s GLU 84 Ca 0.00 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.24 2x8n s GLU 84 Cb 0.00 -0.45 -0.03 0.00 0.10 0.00 0.00 34.13 33.75 2x8n s GLU 84 CO 0.00 0.09 0.24 0.16 0.02 0.00 0.00 175.26 175.77 2x8n s ASP 85 N -1.67 5.06 -0.30 -0.19 1.47 -1.26 -0.90 116.67 118.89 2x8n s ASP 85 Ca -0.07 -0.60 0.01 0.00 1.18 0.00 0.00 52.55 53.07 2x8n s ASP 85 Cb -0.10 -0.88 0.09 0.00 -0.34 0.00 0.00 42.92 41.69 2x8n s ASP 85 CO 0.01 -0.34 0.04 -0.69 0.68 0.00 0.00 175.17 174.88 2x8n s VAL 86 N -2.35 1.56 0.10 2.11 1.01 -1.02 -4.33 120.40 117.47 2x8n s VAL 86 Ca 0.40 -1.71 -0.31 0.00 0.00 0.00 0.00 61.98 60.36 2x8n s VAL 86 Cb -0.05 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 2x8n s VAL 86 CO 0.25 -0.51 1.72 -0.44 0.00 0.00 0.00 175.10 176.12 2x8n s SER 87 N 1.30 6.52 0.12 3.32 0.01 -1.26 -1.71 113.70 121.99 2x8n s SER 87 Ca 0.07 2.61 -0.19 0.00 1.31 0.00 0.00 55.95 59.75 2x8n s SER 87 Cb -0.18 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 2x8n s SER 87 CO -0.14 -0.93 1.73 0.25 0.41 0.00 0.00 173.24 174.55 2x8n h LEU 88 N 8.47 0.29 -0.87 2.44 5.85 -1.89 -1.94 115.31 127.65 2x8n h LEU 88 Ca -0.44 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2x8n h LEU 88 Cb 1.21 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2x8n h LEU 88 CO 0.94 0.27 0.46 0.40 -0.34 0.00 0.00 178.44 180.17 2x8n h ILE 89 N 0.28 1.26 -0.82 4.05 1.08 -1.92 -1.34 117.51 120.10 2x8n h ILE 89 Ca 0.08 -0.66 0.06 0.00 -0.39 0.00 0.00 64.86 63.95 2x8n h ILE 89 Cb 0.04 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 33.83 2x8n h ILE 89 CO -0.01 0.29 0.50 1.23 -0.69 0.00 0.00 178.15 179.47 2x8n h GLY 90 N 1.22 1.23 1.01 5.37 0.00 -1.72 -0.04 103.07 110.14 2x8n h GLY 90 Ca 0.30 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2x8n h GLY 90 CO -0.05 0.25 0.38 1.41 0.00 0.00 0.00 176.54 178.53 2x8n h LEU 91 N 0.92 0.94 -0.84 3.11 3.38 -0.48 0.47 115.31 122.80 2x8n h LEU 91 Ca 0.36 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 2x8n h LEU 91 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2x8n h LEU 91 CO -0.17 0.78 -0.30 -0.07 0.09 0.00 0.00 178.44 178.77 2x8n h LEU 92 N 1.02 0.53 -0.95 1.67 3.38 -0.94 -2.82 115.31 117.20 2x8n h LEU 92 Ca 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2x8n h LEU 92 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2x8n h LEU 92 CO -0.04 0.80 0.00 -0.62 0.09 0.00 0.00 178.44 178.68 2x8n n GLU 93 N -4.09 1.64 -0.39 1.13 -0.58 -0.06 -4.93 120.64 113.36 2x8n n GLU 93 Ca -0.01 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 2x8n n GLU 93 Cb 0.44 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 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 1.14 2.11 3.53 0.62 0.00 0.05 -4.95 105.19 107.69 2x8n n GLY 94 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.02 3.93 0.00 1.61 3.52 0.14 -4.80 118.95 123.34 2x8n s ARG 95 Ca 0.00 -2.05 0.29 0.00 -0.13 0.00 0.00 55.73 53.84 2x8n s ARG 95 Cb 0.00 -5.30 1.42 0.00 -1.56 0.00 0.00 34.95 29.51 2x8n s ARG 95 CO 0.00 -2.04 1.99 0.54 -0.81 0.00 0.00 175.30 174.98 2x8n n ARG 96 N 7.38 0.32 -2.23 5.12 1.74 -1.26 -4.00 116.66 123.74 2x8n n ARG 96 Ca 0.40 0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.47 2x8n n ARG 96 Cb 0.46 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.25 1.39 3.75 -0.13 0.00 -1.26 -2.19 105.19 107.99 2x8n n GLY 97 Ca 0.12 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.89 5.03 0.26 1.61 0.01 -1.26 -4.92 113.70 112.53 2x8n s SER 98 Ca 0.07 2.41 -0.01 0.00 1.31 0.00 0.00 55.95 59.73 2x8n s SER 98 Cb -0.02 -2.60 0.33 0.00 0.21 0.00 0.00 66.02 63.94 2x8n s SER 98 CO 0.04 -1.70 1.73 0.00 0.41 0.00 0.00 173.24 173.72 2x8n h ALA 99 N 0.72 1.07 -0.92 1.44 0.00 -1.99 -2.08 119.26 117.51 2x8n h ALA 99 Ca -0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2x8n h ALA 99 Cb 1.30 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2x8n h ALA 99 CO 0.54 0.57 0.53 1.57 0.00 0.00 0.00 179.25 182.47 2x8n h LYS 100 N 0.67 1.26 -0.78 0.00 2.10 -1.99 -1.51 116.57 116.32 2x8n h LYS 100 Ca 0.12 -0.13 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2x8n h LYS 100 Cb 0.53 -0.26 -0.04 0.00 -0.90 0.00 0.00 32.23 31.56 2x8n h LYS 100 CO 0.03 0.90 0.51 2.35 -2.00 0.00 0.00 179.45 181.24 2x8n h TRP 101 N 1.27 0.97 0.00 0.07 7.01 -1.78 -0.71 115.95 122.78 2x8n h TRP 101 Ca 0.33 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 2x8n h TRP 101 Cb -0.02 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.71 2x8n h TRP 101 CO 0.01 0.60 -0.11 0.52 -2.79 0.00 0.00 178.44 176.66 2x8n h MET 102 N 1.04 0.00 0.07 2.65 2.86 -1.03 0.21 114.93 120.73 2x8n h MET 102 Ca 0.29 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.66 2x8n h MET 102 Cb -0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2x8n h MET 102 CO -0.08 0.11 -1.39 0.00 1.06 0.00 0.00 176.91 176.62 2x8n h ALA 103 N 1.89 0.35 0.00 6.32 0.00 -0.46 -3.21 119.26 124.16 2x8n h ALA 103 Ca -0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 54.91 53.75 2x8n h ALA 103 Cb 0.71 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2x8n h ALA 103 CO 0.01 1.22 -1.68 0.39 0.00 0.00 0.00 179.25 179.19 2x8n n GLU 104 N -3.37 0.64 -3.56 0.00 1.02 -0.35 -4.64 120.64 110.38 2x8n n GLU 104 Ca -0.11 -0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.73 2x8n n GLU 104 Cb 1.02 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.68 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 1.80 -0.30 -0.32 3.76 0.74 -5.09 115.29 112.62 2x8n s HIS 105 Ca -0.05 -2.56 -0.43 0.00 -0.15 0.00 0.00 55.06 51.87 2x8n s HIS 105 Cb 0.11 -1.47 -0.18 0.00 1.11 0.00 0.00 32.58 32.15 2x8n s HIS 105 CO 0.85 -0.75 1.58 -2.30 -0.85 0.00 0.00 174.74 173.27 2x8n n PRO 106 N 2.76 0.57 -2.15 8.40 -0.02 -1.21 -4.11 135.00 139.23 2x8n n PRO 106 Ca 0.24 0.21 -0.28 0.00 -2.02 0.00 0.00 63.50 61.65 2x8n n PRO 106 Cb 0.43 -1.80 0.04 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.66 3.07 0.00 2.45 2.96 -1.26 -4.96 118.68 123.59 2x8n s LEU 107 Ca 0.99 0.91 0.18 0.00 -0.22 0.00 0.00 54.13 55.99 2x8n s LEU 107 Cb -1.25 -3.72 1.06 0.00 0.50 0.00 0.00 46.19 42.78 2x8n s LEU 107 CO 0.69 -1.21 1.50 0.00 -1.32 0.00 0.00 176.35 176.02 2x8n n ALA 108 N -2.79 2.14 1.20 5.97 0.00 -1.26 -5.18 120.51 120.58 2x8n n ALA 108 Ca 0.06 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2x8n n ALA 108 Cb 0.57 -1.30 0.27 0.00 0.00 0.00 0.00 19.45 19.00 2x8n n ALA 108 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93