#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8n h LEU 1 N 0.00 0.73 -7.86 -3.43 3.38 -1.92 -3.47 115.31 102.74 3m8n h LEU 1 Ca 0.00 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3m8n h LEU 1 Cb 0.00 -0.19 -0.17 0.00 0.09 0.00 0.00 40.66 40.38 3m8n h LEU 1 CO 0.00 0.81 -0.48 -0.31 0.09 0.00 0.00 178.44 178.55 3m8n s TYR 2 N -4.96 0.17 -0.19 1.13 2.02 -1.24 -5.03 117.35 109.25 3m8n s TYR 2 Ca -0.09 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 3m8n s TYR 2 Cb 0.15 -0.12 -0.03 0.00 -0.40 0.00 0.00 41.96 41.56 3m8n s TYR 2 CO 0.81 -0.40 0.00 0.21 -1.57 0.00 0.00 175.55 174.60 3m8n s LYS 3 N -2.77 3.68 -0.20 -0.62 2.20 -1.25 -0.73 119.74 120.05 3m8n s LYS 3 Ca -0.04 -0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 3m8n s LYS 3 Cb -0.00 -3.07 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 3m8n s LYS 3 CO -0.05 0.09 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.80 3m8n s LEU 4 N 0.79 2.89 -0.15 5.43 2.96 -0.31 -0.76 118.68 129.53 3m8n s LEU 4 Ca 0.01 -0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 53.35 3m8n s LEU 4 Cb -0.14 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3m8n s LEU 4 CO 0.02 0.03 0.58 -0.31 -1.32 0.00 0.00 176.35 175.35 3m8n s TYR 5 N 1.19 3.45 0.00 5.38 2.02 0.60 -0.95 117.35 129.05 3m8n s TYR 5 Ca 0.02 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 3m8n s TYR 5 Cb -0.14 -2.70 0.00 0.00 -0.40 0.00 0.00 41.96 38.71 3m8n s TYR 5 CO -0.01 -0.01 0.00 0.45 -1.57 0.00 0.00 175.55 174.41 3m8n n SER 6 N 4.35 0.00 -0.00 2.29 2.88 -0.39 -1.68 113.62 121.07 3m8n n SER 6 Ca -0.04 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 3m8n n SER 6 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3m8n n SER 6 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3m8n n GLN 8 N 0.00 0.02 -0.38 -1.46 -0.06 -1.26 -1.61 117.38 112.63 3m8n n GLN 8 Ca 0.00 0.01 0.10 0.00 -2.00 0.00 0.00 57.00 55.10 3m8n n GLN 8 Cb 0.00 -0.81 0.29 0.00 -4.06 0.00 0.00 30.24 25.66 3m8n n GLN 8 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3m8n n ARG 9 N -2.74 2.71 -2.99 3.69 5.12 -1.26 -4.75 116.66 116.43 3m8n n ARG 9 Ca -0.01 -2.33 -0.41 0.00 -1.93 0.00 0.00 57.85 53.17 3m8n n ARG 9 Cb 0.51 -1.58 -0.05 0.00 -1.16 0.00 0.00 32.46 30.18 3m8n n ARG 9 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3m8n s SER 10 N -0.96 6.71 0.27 0.55 0.15 -1.26 -4.95 113.70 114.21 3m8n s SER 10 Ca 0.43 0.88 -0.01 0.00 0.70 0.00 0.00 55.95 57.95 3m8n s SER 10 Cb 0.24 -2.39 0.49 0.00 -1.71 0.00 0.00 66.02 62.65 3m8n s SER 10 CO 0.27 -0.45 1.83 1.23 1.20 0.00 0.00 173.24 177.32 3m8n h GLY 11 N 9.07 1.52 0.95 9.45 0.00 -1.90 -1.80 103.07 120.35 3m8n h GLY 11 Ca -0.25 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.71 3m8n h GLY 11 CO 0.83 0.16 0.33 3.43 0.00 0.00 0.00 176.54 181.29 3m8n h ASN 12 N 0.94 0.56 -0.27 0.19 2.35 -1.92 -1.22 115.58 116.20 3m8n h ASN 12 Ca 0.46 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.15 3m8n h ASN 12 Cb 0.43 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3m8n h ASN 12 CO -0.26 0.40 -0.02 0.28 -1.65 0.00 0.00 177.43 176.18 3m8n h SER 13 N 0.67 0.49 -0.95 5.81 0.02 -1.68 -3.19 113.55 114.73 3m8n h SER 13 Ca 0.20 -0.33 0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3m8n h SER 13 Cb -0.04 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 3m8n h SER 13 CO -0.06 0.70 0.61 0.22 -1.14 0.00 0.00 176.83 177.16 3m8n h TYR 14 N 0.27 1.14 -0.60 3.45 3.20 -1.09 -1.40 116.97 121.93 3m8n h TYR 14 Ca 0.07 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.09 3m8n h TYR 14 Cb 0.46 -0.38 -0.12 0.00 1.54 0.00 0.00 36.73 38.24 3m8n h TYR 14 CO 0.04 0.62 -0.19 0.87 -1.64 0.00 0.00 178.16 177.86 3m8n h LYS 15 N 1.15 -0.04 -0.10 1.82 1.57 -1.21 0.47 116.57 120.23 3m8n h LYS 15 Ca 0.39 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.01 3m8n h LYS 15 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3m8n h LYS 15 CO -0.15 -0.03 -0.64 0.28 -0.57 0.00 0.00 179.45 178.34 3m8n h VAL 16 N -0.04 1.37 -0.57 0.50 2.07 -1.43 -2.13 116.25 116.02 3m8n h VAL 16 Ca 0.28 -2.01 -0.11 0.00 0.82 0.00 0.00 66.70 65.69 3m8n h VAL 16 Cb 0.48 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3m8n h VAL 16 CO -0.64 0.60 -0.06 0.03 0.02 0.00 0.00 177.57 177.52 3m8n h ARG 17 N 0.28 1.04 -0.28 1.57 3.08 -0.25 -1.94 114.38 117.87 3m8n h ARG 17 Ca -0.01 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 3m8n h ARG 17 Cb 1.19 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3m8n h ARG 17 CO 0.11 1.05 0.08 1.25 -1.07 0.00 0.00 179.97 181.39 3m8n h LEU 18 N 0.93 0.42 -0.46 3.04 5.85 0.05 -1.57 115.31 123.58 3m8n h LEU 18 Ca 0.16 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3m8n h LEU 18 Cb 0.62 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3m8n h LEU 18 CO 0.04 0.52 0.27 0.00 -0.34 0.00 0.00 178.44 178.93 3m8n h ALA 19 N 0.91 0.59 -0.38 1.25 0.00 -1.29 0.42 119.26 120.76 3m8n h ALA 19 Ca 0.09 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3m8n h ALA 19 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3m8n h ALA 19 CO -0.00 -0.05 0.19 -0.07 0.00 0.00 0.00 179.25 179.33 3m8n h LEU 20 N 0.54 0.29 0.19 0.00 3.38 -1.18 0.04 115.31 118.57 3m8n h LEU 20 Ca 0.19 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3m8n h LEU 20 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3m8n h LEU 20 CO -0.09 0.21 -0.09 0.00 0.09 0.00 0.00 178.44 178.56 3m8n h ALA 21 N 1.19 -0.26 -0.68 1.53 0.00 -1.03 0.59 119.26 120.60 3m8n h ALA 21 Ca 0.16 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.14 3m8n h ALA 21 Cb 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3m8n h ALA 21 CO -0.10 -0.60 0.47 -0.07 0.00 0.00 0.00 179.25 178.94 3m8n h LEU 22 N -0.35 0.17 0.00 0.00 3.38 0.14 -0.98 115.31 117.67 3m8n h LEU 22 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m8n h LEU 22 Cb 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3m8n h LEU 22 CO 0.04 0.09 -0.70 0.18 0.09 0.00 0.00 178.44 178.14 3m8n n LEU 23 N -4.41 0.70 -2.37 1.67 4.77 -0.03 -4.93 117.00 112.41 3m8n n LEU 23 Ca 0.13 -0.20 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 3m8n n LEU 23 Cb 0.62 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 3m8n n LEU 23 CO 0.35 0.17 0.11 -0.67 -1.33 0.00 0.00 177.39 176.02 3m8n n ASP 24 N -1.51 -4.77 -4.83 -1.43 2.03 0.19 -4.98 116.55 101.26 3m8n n ASP 24 Ca 0.05 -0.30 -0.38 0.00 0.52 0.00 0.00 54.79 54.68 3m8n n ASP 24 Cb 0.33 -3.44 -0.06 0.00 -0.72 0.00 0.00 41.12 37.23 3m8n n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3m8n s ALA 25 N -3.13 3.64 0.28 -1.67 0.00 -0.50 -5.03 121.76 115.36 3m8n s ALA 25 Ca 0.32 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 3m8n s ALA 25 Cb -0.14 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.38 3m8n s ALA 25 CO 0.40 0.45 0.74 -2.14 0.00 0.00 0.00 175.76 175.21 3m8n s PRO 26 N -1.26 4.15 0.05 0.00 0.02 -1.26 -4.75 135.00 131.95 3m8n s PRO 26 Ca 0.28 0.80 -0.27 0.00 0.02 0.00 0.00 61.00 61.84 3m8n s PRO 26 Cb -0.18 -2.65 0.09 0.00 0.02 0.00 0.00 34.50 31.78 3m8n s PRO 26 CO 0.17 0.27 0.75 1.52 -0.33 0.00 0.00 177.00 179.38 3m8n s TYR 27 N -1.76 -0.46 -0.35 6.54 -0.85 -1.26 -3.16 117.35 116.05 3m8n s TYR 27 Ca 0.49 0.37 -0.14 0.00 -0.52 0.00 0.00 57.07 57.27 3m8n s TYR 27 Cb -0.14 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.73 3m8n s TYR 27 CO 0.19 -0.67 0.28 0.50 -1.52 0.00 0.00 175.55 174.34 3m8n s ARG 28 N -3.07 3.42 0.50 -3.49 3.52 0.10 -4.75 118.95 115.17 3m8n s ARG 28 Ca 0.01 -0.65 -0.19 0.00 -0.13 0.00 0.00 55.73 54.77 3m8n s ARG 28 Cb -0.01 -3.84 -0.08 0.00 -1.56 0.00 0.00 34.95 29.46 3m8n s ARG 28 CO -0.08 -0.52 1.01 0.00 -0.81 0.00 0.00 175.30 174.89 3m8n s ALA 29 N 1.80 2.93 -0.04 6.12 0.00 -1.26 -1.17 121.76 130.14 3m8n s ALA 29 Ca 0.07 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 3m8n s ALA 29 Cb -0.17 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.78 3m8n s ALA 29 CO 0.11 -0.29 0.06 0.08 0.00 0.00 0.00 175.76 175.71 3m8n s VAL 30 N -2.28 -0.10 -0.21 0.00 1.01 -0.12 -4.88 120.40 113.81 3m8n s VAL 30 Ca 0.63 0.42 -0.27 0.00 0.00 0.00 0.00 61.98 62.77 3m8n s VAL 30 Cb -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 3m8n s VAL 30 CO 0.25 0.18 0.93 -0.70 0.00 0.00 0.00 175.10 175.75 3m8n s GLU 31 N 2.15 4.26 -0.10 2.72 2.56 -1.26 -1.26 118.70 127.77 3m8n s GLU 31 Ca 0.05 1.16 -0.01 0.00 0.00 0.00 0.00 54.97 56.17 3m8n s GLU 31 Cb -0.12 -3.62 -0.03 0.00 2.00 0.00 0.00 34.13 32.36 3m8n s GLU 31 CO -0.03 -0.51 -0.06 0.08 -0.56 0.00 0.00 175.26 174.18 3m8n s VAL 32 N 2.78 3.77 -0.60 3.70 1.01 -0.63 -4.93 120.40 125.49 3m8n s VAL 32 Ca 0.40 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 3m8n s VAL 32 Cb -0.16 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.73 3m8n s VAL 32 CO 0.09 0.56 0.79 -1.81 0.00 0.00 0.00 175.10 174.73 3m8n s ASP 33 N -0.40 6.19 0.17 3.32 1.11 -1.26 -4.73 116.67 121.07 3m8n s ASP 33 Ca 0.06 -1.18 -0.14 0.00 0.18 0.00 0.00 52.55 51.47 3m8n s ASP 33 Cb -0.12 -2.34 0.06 0.00 1.07 0.00 0.00 42.92 41.58 3m8n s ASP 33 CO 0.02 -1.20 1.81 0.40 1.18 0.00 0.00 175.17 177.38 3m8n h ILE 34 N 5.94 1.16 -0.46 0.77 5.03 -1.95 0.12 117.51 128.11 3m8n h ILE 34 Ca -0.29 -0.34 0.08 0.00 -0.12 0.00 0.00 64.86 64.19 3m8n h ILE 34 Cb 1.08 0.43 -0.07 0.00 -3.03 0.00 0.00 36.82 35.24 3m8n h ILE 34 CO 1.11 0.16 0.05 -0.07 -0.68 0.00 0.00 178.15 178.72 3m8n h LEU 35 N 0.71 -0.08 -3.56 1.44 3.38 -2.02 -2.52 115.31 112.66 3m8n h LEU 35 Ca 0.19 0.09 -0.41 0.00 0.09 0.00 0.00 57.88 57.84 3m8n h LEU 35 Cb -0.02 0.15 -0.24 0.00 0.09 0.00 0.00 40.66 40.63 3m8n h LEU 35 CO -0.04 -0.01 0.52 0.54 0.09 0.00 0.00 178.44 179.55 3m8n n ARG 36 N -5.15 1.99 -2.57 1.13 5.12 -1.10 -4.90 116.66 111.17 3m8n n ARG 36 Ca 0.04 -2.35 -0.20 0.00 -1.93 0.00 0.00 57.85 53.42 3m8n n ARG 36 Cb 0.23 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 3m8n n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m8n n GLY 37 N -0.77 -0.50 0.10 -0.13 0.00 -0.95 -4.88 105.19 98.07 3m8n n GLY 37 Ca 0.47 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 3m8n n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m8n h GLU 38 N -0.33 0.00 0.00 1.61 5.08 -0.97 -3.13 114.58 116.83 3m8n h GLU 38 Ca -0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3m8n h GLU 38 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 3m8n h GLU 38 CO 0.54 0.78 -0.04 0.66 -1.00 0.00 0.00 179.01 179.96 3m8n h SER 39 N 0.00 0.00 -2.31 1.42 4.64 -1.84 -3.34 113.55 112.12 3m8n h SER 39 Ca -0.01 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3m8n h SER 39 Cb 1.42 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.11 3m8n h SER 39 CO 0.10 0.04 -0.33 0.54 -0.87 0.00 0.00 176.83 176.30 3m8n n ARG 40 N -3.13 3.15 -4.40 4.77 1.74 -1.18 -4.21 116.66 113.39 3m8n n ARG 40 Ca 0.01 -4.72 -0.22 0.00 -0.77 0.00 0.00 57.85 52.15 3m8n n ARG 40 Cb 0.38 -2.30 -0.10 0.00 -1.02 0.00 0.00 32.46 29.42 3m8n n ARG 40 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3m8n s THR 41 N -3.18 2.14 0.23 0.55 -4.23 -1.25 -4.98 115.64 104.92 3m8n s THR 41 Ca 0.41 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 3m8n s THR 41 Cb 0.17 -2.12 0.19 0.00 1.34 0.00 0.00 72.50 72.09 3m8n s THR 41 CO -0.04 -0.40 1.81 -0.65 -0.54 0.00 0.00 174.62 174.80 3m8n h PRO 42 N 2.66 0.74 -0.56 3.99 0.11 -1.96 0.46 132.00 137.45 3m8n h PRO 42 Ca -0.41 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3m8n h PRO 42 Cb 1.23 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3m8n h PRO 42 CO 0.57 0.49 0.04 -0.44 -0.21 0.00 0.00 178.00 178.45 3m8n h ASP 43 N 0.76 0.93 0.22 -2.05 3.32 -1.97 0.30 116.42 117.93 3m8n h ASP 43 Ca 0.37 -0.29 -0.22 0.00 0.02 0.00 0.00 57.03 56.91 3m8n h ASP 43 Cb 0.30 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3m8n h ASP 43 CO -0.23 0.99 -0.87 0.15 -1.72 0.00 0.00 179.24 177.56 3m8n h PHE 44 N 0.84 0.69 0.00 4.55 3.57 -1.79 -3.10 116.94 121.71 3m8n h PHE 44 Ca 0.16 -0.35 -0.10 0.00 3.53 0.00 0.00 57.97 61.22 3m8n h PHE 44 Cb 0.49 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3m8n h PHE 44 CO 0.04 1.15 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.74 3m8n h LEU 45 N 0.30 0.00 -1.51 0.59 3.38 -0.83 0.09 115.31 117.33 3m8n h LEU 45 Ca -0.07 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.04 3m8n h LEU 45 Cb 1.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.19 3m8n h LEU 45 CO 0.16 0.46 0.51 0.00 0.09 0.00 0.00 178.44 179.65 3m8n h ALA 46 N 1.54 2.01 0.12 1.53 0.00 -0.43 -3.26 119.26 120.77 3m8n h ALA 46 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3m8n h ALA 46 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3m8n h ALA 46 CO 0.06 -0.20 -1.60 0.87 0.00 0.00 0.00 179.25 178.38 3m8n h LYS 47 N 0.50 0.26 -4.45 0.00 1.57 -1.20 -3.45 116.57 109.81 3m8n h LYS 47 Ca 0.37 -0.44 -0.51 0.00 -1.87 0.00 0.00 60.65 58.21 3m8n h LYS 47 Cb 0.74 0.16 -0.34 0.00 0.08 0.00 0.00 32.23 32.87 3m8n h LYS 47 CO -0.13 1.21 -0.81 1.21 -0.57 0.00 0.00 179.45 180.36 3m8n s ASN 48 N -7.07 1.76 0.00 0.86 3.84 -0.08 -4.90 114.94 109.35 3m8n s ASN 48 Ca -0.21 -0.28 0.00 0.00 0.21 0.00 0.00 52.86 52.58 3m8n s ASN 48 Cb 0.05 -0.79 0.00 0.00 -0.55 0.00 0.00 41.25 39.96 3m8n s ASN 48 CO 0.77 0.00 0.00 -2.65 -2.79 0.00 0.00 177.10 172.43 3m8n n PRO 49 N 4.01 0.00 -1.59 0.43 -0.02 -1.23 -2.33 135.00 134.27 3m8n n PRO 49 Ca -0.21 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.07 3m8n n PRO 49 Cb 0.51 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.07 3m8n n PRO 49 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3m8n n SER 50 N -1.22 4.68 -3.46 2.55 3.41 -1.26 -4.95 113.62 113.36 3m8n n SER 50 Ca 0.00 -3.78 -0.21 0.00 -0.26 0.00 0.00 58.87 54.62 3m8n n SER 50 Cb 0.00 -0.50 0.06 0.00 -0.26 0.00 0.00 64.21 63.50 3m8n n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m8n n GLY 51 N -0.85 -0.88 3.80 5.00 0.00 -0.98 -4.98 105.19 106.29 3m8n n GLY 51 Ca 0.43 0.42 -0.36 0.00 0.00 0.00 0.00 46.02 46.51 3m8n n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m8n s GLN 52 N -5.20 3.85 -0.04 1.61 -0.21 -1.26 -4.80 119.66 113.61 3m8n s GLN 52 Ca 0.33 -0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.54 3m8n s GLN 52 Cb -0.07 -3.32 0.03 0.00 1.00 0.00 0.00 33.01 30.65 3m8n s GLN 52 CO 0.78 0.52 0.00 0.08 -2.12 0.00 0.00 175.29 174.55 3m8n s VAL 53 N -0.27 0.21 0.56 1.09 1.01 -1.26 -4.27 120.40 117.47 3m8n s VAL 53 Ca 0.11 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 3m8n s VAL 53 Cb -0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 3m8n s VAL 53 CO 0.01 0.17 0.95 -2.16 0.00 0.00 0.00 175.10 174.07 3m8n s PRO 54 N 1.25 3.65 -0.05 2.72 0.04 -1.26 -4.71 135.00 136.64 3m8n s PRO 54 Ca -0.06 0.63 -0.00 0.00 0.04 0.00 0.00 61.00 61.61 3m8n s PRO 54 Cb -0.13 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.26 3m8n s PRO 54 CO -0.02 -0.41 -0.00 -1.17 0.04 0.00 0.00 177.00 175.44 3m8n s LEU 55 N -4.83 0.84 -0.18 -3.56 2.96 -0.68 -4.08 118.68 109.15 3m8n s LEU 55 Ca 0.54 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3m8n s LEU 55 Cb -0.11 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 3m8n s LEU 55 CO 0.47 -0.15 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.07 3m8n s LEU 56 N 1.54 2.95 -0.38 -0.68 2.96 -0.78 -0.29 118.68 123.99 3m8n s LEU 56 Ca -0.02 -0.30 -0.22 0.00 -0.22 0.00 0.00 54.13 53.37 3m8n s LEU 56 Cb -0.13 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3m8n s LEU 56 CO -0.03 0.08 0.74 -0.70 -1.32 0.00 0.00 176.35 175.12 3m8n s GLU 57 N 0.86 3.64 -0.21 1.98 2.12 0.06 -0.33 118.70 126.83 3m8n s GLU 57 Ca -0.02 0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.47 3m8n s GLU 57 Cb -0.15 -3.84 -0.14 0.00 0.26 0.00 0.00 34.13 30.26 3m8n s GLU 57 CO 0.01 -0.88 -0.19 -2.37 -0.54 0.00 0.00 175.26 171.29 3m8n n THR 58 N 5.81 1.22 -3.07 -1.70 5.66 0.30 -3.78 114.28 118.72 3m8n n THR 58 Ca 0.02 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 3m8n n THR 58 Cb 0.48 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.00 3m8n n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3m8n n ALA 59 N -3.13 0.00 -2.67 1.79 0.00 -1.06 -5.00 120.51 110.44 3m8n n ALA 59 Ca -0.38 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 3m8n n ALA 59 Cb 0.90 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.29 3m8n n ALA 59 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3m8n s PRO 60 N 0.78 4.25 -1.24 0.00 0.02 -1.26 -3.66 135.00 133.89 3m8n s PRO 60 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 61.00 61.42 3m8n s PRO 60 Cb 0.00 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3m8n s PRO 60 CO 0.00 0.28 0.00 0.41 -0.33 0.00 0.00 177.00 177.36 3m8n n GLY 61 N 2.97 1.11 3.22 0.52 0.00 -1.26 -4.99 105.19 106.76 3m8n n GLY 61 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3m8n n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m8n s ARG 62 N -2.88 2.98 0.29 1.61 3.52 -1.24 -5.05 118.95 118.17 3m8n s ARG 62 Ca 0.00 -0.88 0.09 0.00 -0.13 0.00 0.00 55.73 54.81 3m8n s ARG 62 Cb 0.00 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 3m8n s ARG 62 CO 0.00 -0.33 0.07 0.71 -0.81 0.00 0.00 175.30 174.93 3m8n s TYR 63 N 1.36 2.75 -0.05 5.12 2.02 -1.26 0.11 117.35 127.41 3m8n s TYR 63 Ca 0.02 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 3m8n s TYR 63 Cb -0.16 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.07 3m8n s TYR 63 CO -0.05 0.53 -0.04 -1.17 -1.57 0.00 0.00 175.55 173.24 3m8n s LEU 64 N -3.75 1.28 0.35 -1.29 2.96 0.55 -4.86 118.68 113.93 3m8n s LEU 64 Ca 0.33 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 3m8n s LEU 64 Cb -0.05 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 3m8n s LEU 64 CO 0.21 -0.06 0.28 0.00 -1.32 0.00 0.00 176.35 175.46 3m8n s ALA 65 N 0.99 3.82 0.00 5.97 0.00 -1.26 -1.87 121.76 129.41 3m8n s ALA 65 Ca -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3m8n s ALA 65 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.92 3m8n s ALA 65 CO -0.00 -0.04 0.00 0.39 0.00 0.00 0.00 175.76 176.11 3m8n n GLU 66 N -1.37 0.00 -0.33 0.00 -0.58 -1.26 -4.47 120.64 112.64 3m8n n GLU 66 Ca -0.01 0.48 0.11 0.00 -0.42 0.00 0.00 57.16 57.32 3m8n n GLU 66 Cb 0.60 -0.78 0.28 0.00 -0.57 0.00 0.00 31.44 30.97 3m8n n GLU 66 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3m8n h SER 67 N 0.00 0.66 0.17 1.62 4.64 -1.86 0.14 113.55 118.92 3m8n h SER 67 Ca 0.00 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3m8n h SER 67 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3m8n h SER 67 CO 0.00 0.24 -0.27 0.78 -0.87 0.00 0.00 176.83 176.71 3m8n h ASN 68 N 0.69 0.18 0.32 4.97 4.21 -1.91 0.14 115.58 124.17 3m8n h ASN 68 Ca 0.53 -0.05 -0.22 0.00 1.21 0.00 0.00 56.30 57.77 3m8n h ASN 68 Cb 0.81 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 3m8n h ASN 68 CO -0.38 0.46 -0.91 0.00 -1.29 0.00 0.00 177.43 175.30 3m8n h ALA 69 N 1.56 0.39 -0.68 -0.83 0.00 -1.07 -2.48 119.26 116.16 3m8n h ALA 69 Ca 0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 3m8n h ALA 69 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3m8n h ALA 69 CO 0.04 0.81 0.16 0.82 0.00 0.00 0.00 179.25 181.08 3m8n h ILE 70 N 0.24 1.26 -0.49 0.00 2.04 -0.65 -1.75 117.51 118.16 3m8n h ILE 70 Ca -0.07 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3m8n h ILE 70 Cb 1.54 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3m8n h ILE 70 CO 0.16 0.36 0.25 -0.07 0.00 0.00 0.00 178.15 178.86 3m8n h LEU 71 N 1.02 0.62 -0.82 1.44 3.38 -0.66 -2.31 115.31 117.98 3m8n h LEU 71 Ca 0.21 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3m8n h LEU 71 Cb 0.36 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3m8n h LEU 71 CO 0.00 0.55 0.55 -0.25 0.09 0.00 0.00 178.44 179.38 3m8n h TRP 72 N 0.65 1.04 -0.61 1.13 7.01 -1.31 -2.23 115.95 121.63 3m8n h TRP 72 Ca 0.17 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 3m8n h TRP 72 Cb 0.08 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 3m8n h TRP 72 CO -0.01 0.65 0.32 -0.92 -2.79 0.00 0.00 178.44 175.69 3m8n h TYR 73 N 1.11 0.86 -0.07 2.65 3.20 -1.01 -2.35 116.97 121.36 3m8n h TYR 73 Ca 0.30 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 3m8n h TYR 73 Cb -0.12 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.86 3m8n h TYR 73 CO -0.02 0.63 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.60 3m8n h LEU 74 N 0.83 0.17 0.00 2.82 3.38 -1.27 -3.28 115.31 117.96 3m8n h LEU 74 Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3m8n h LEU 74 Cb 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3m8n h LEU 74 CO -0.03 0.62 -0.41 0.00 0.09 0.00 0.00 178.44 178.70 3m8n n ALA 75 N -2.46 2.83 -1.71 1.53 0.00 -0.85 -4.79 120.51 115.06 3m8n n ALA 75 Ca -0.02 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 3m8n n ALA 75 Cb 0.51 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3m8n n ALA 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3m8n n VAL 76 N -1.98 0.06 -1.06 0.00 0.31 -1.05 -1.74 118.33 112.88 3m8n n VAL 76 Ca 0.04 -0.01 -0.02 0.00 -0.01 0.00 0.00 64.34 64.34 3m8n n VAL 76 Cb 0.41 -1.95 -0.01 0.00 -0.91 0.00 0.00 33.84 31.39 3m8n n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3m8n n GLY 77 N 3.94 0.46 3.74 2.92 0.00 -1.26 -5.00 105.19 109.99 3m8n n GLY 77 Ca 0.17 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3m8n n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m8n s THR 78 N -1.75 1.58 -0.89 2.61 -4.23 -0.71 -5.02 115.64 107.21 3m8n s THR 78 Ca 0.00 -1.91 0.14 0.00 -1.18 0.00 0.00 61.69 58.75 3m8n s THR 78 Cb 0.00 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.49 3m8n s THR 78 CO 0.00 0.00 1.45 -1.54 -0.54 0.00 0.00 174.62 173.99 3m8n n SER 79 N -1.24 0.12 -0.30 3.99 3.41 -1.26 -2.59 113.62 115.75 3m8n n SER 79 Ca -0.11 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.17 3m8n n SER 79 Cb 0.66 -0.56 0.60 0.00 -0.26 0.00 0.00 64.21 64.65 3m8n n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3m8n n LEU 80 N -1.64 0.99 -4.39 1.04 4.77 -1.26 -4.78 117.00 111.73 3m8n n LEU 80 Ca 0.03 -0.29 -0.36 0.00 -0.03 0.00 0.00 56.01 55.35 3m8n n LEU 80 Cb 0.15 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 3m8n n LEU 80 CO 0.13 0.17 -0.33 0.00 -1.33 0.00 0.00 177.39 176.03 3m8n s ALA 81 N -2.14 3.01 1.18 -1.18 0.00 -1.07 -2.80 121.76 118.76 3m8n s ALA 81 Ca 0.37 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 3m8n s ALA 81 Cb 0.21 -1.91 0.28 0.00 0.00 0.00 0.00 23.12 21.70 3m8n s ALA 81 CO 0.39 -0.44 1.04 -1.25 0.00 0.00 0.00 175.76 175.50 3m8n s PRO 82 N 1.52 -1.04 -0.21 0.00 0.04 -1.26 -4.79 135.00 129.25 3m8n s PRO 82 Ca 0.06 0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.43 3m8n s PRO 82 Cb -0.15 -1.57 -0.20 0.00 0.04 0.00 0.00 34.50 32.62 3m8n s PRO 82 CO 0.01 -3.70 0.03 -0.25 0.04 0.00 0.00 177.00 173.13 3m8n n ASP 83 N -4.84 2.01 -4.84 6.66 8.00 -1.26 -4.75 116.55 117.53 3m8n n ASP 83 Ca 0.07 0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.41 3m8n n ASP 83 Cb 0.57 -0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 3m8n n ASP 83 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3m8n s THR 84 N -2.50 4.57 -0.51 -3.53 -4.23 -1.26 -4.93 115.64 103.25 3m8n s THR 84 Ca -0.30 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 3m8n s THR 84 Cb 0.09 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.28 3m8n s THR 84 CO 0.64 -0.37 0.00 -1.14 -0.54 0.00 0.00 174.62 173.21 3m8n n ARG 85 N -0.81 0.00 0.00 3.99 0.63 -1.26 -0.86 116.66 118.35 3m8n n ARG 85 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3m8n n ARG 85 Cb 0.54 -0.76 0.00 0.00 0.45 0.00 0.00 32.46 32.69 3m8n n ARG 85 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3m8n n ASP 87 N 0.26 0.00 -0.14 6.15 8.00 -1.26 -1.30 116.55 128.25 3m8n n ASP 87 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3m8n n ASP 87 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 3m8n n ASP 87 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3m8n h ARG 88 N 0.00 0.95 -0.39 -1.24 3.08 -1.30 -2.14 114.38 113.34 3m8n h ARG 88 Ca 0.00 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 3m8n h ARG 88 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3m8n h ARG 88 CO 0.00 1.07 -0.20 0.00 -1.07 0.00 0.00 179.97 179.76 3m8n h ALA 89 N 0.92 0.90 -0.93 0.04 0.00 -1.43 -2.56 119.26 116.19 3m8n h ALA 89 Ca 0.11 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3m8n h ALA 89 Cb 0.79 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3m8n h ALA 89 CO 0.07 0.62 0.61 1.49 0.00 0.00 0.00 179.25 182.04 3m8n h GLU 90 N 0.67 1.19 -0.54 0.00 4.81 -1.78 -0.34 114.58 118.61 3m8n h GLU 90 Ca 0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3m8n h GLU 90 Cb 0.71 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3m8n h GLU 90 CO 0.05 0.79 0.35 0.00 -0.73 0.00 0.00 179.01 179.48 3m8n h ALA 91 N 1.36 0.68 -0.86 2.92 0.00 -1.25 -2.71 119.26 119.39 3m8n h ALA 91 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3m8n h ALA 91 Cb -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3m8n h ALA 91 CO -0.09 0.13 0.56 -0.07 0.00 0.00 0.00 179.25 179.78 3m8n h LEU 92 N 0.73 1.01 -0.82 0.00 3.38 -1.02 -2.74 115.31 115.84 3m8n h LEU 92 Ca 0.20 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.24 3m8n h LEU 92 Cb -0.07 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.35 3m8n h LEU 92 CO -0.04 0.74 0.44 -0.61 0.09 0.00 0.00 178.44 179.07 3m8n h GLN 93 N 1.18 0.69 -1.54 1.13 4.15 -0.76 -0.97 115.11 118.99 3m8n h GLN 93 Ca 0.31 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.69 3m8n h GLN 93 Cb -0.11 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.43 3m8n h GLN 93 CO -0.06 0.46 0.00 0.91 -1.93 0.00 0.00 178.83 178.20 3m8n n TRP 94 N -4.80 0.00 0.00 3.99 7.02 -1.04 -1.59 117.44 121.02 3m8n n TRP 94 Ca 0.14 -0.47 0.00 0.00 -1.02 0.00 0.00 57.50 56.15 3m8n n TRP 94 Cb 0.33 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 3m8n n TRP 94 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3m8n n PHE 96 N 0.99 0.00 -0.17 -5.99 3.72 -0.37 -1.25 117.46 114.39 3m8n n PHE 96 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 3m8n n PHE 96 Cb 0.35 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.92 3m8n n PHE 96 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3m8n h PHE 97 N 0.00 -0.50 -1.00 1.38 3.57 -1.56 -1.69 116.94 117.14 3m8n h PHE 97 Ca 0.00 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.63 3m8n h PHE 97 Cb 0.00 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 3m8n h PHE 97 CO 0.00 -0.30 0.64 1.49 -2.23 0.00 0.00 178.31 177.91 3m8n h GLU 98 N -0.08 1.10 -0.08 1.11 4.22 -1.45 0.17 114.58 119.57 3m8n h GLU 98 Ca 0.25 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.59 3m8n h GLU 98 Cb 0.47 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3m8n h GLU 98 CO -0.59 0.72 -0.08 0.37 -2.18 0.00 0.00 179.01 177.26 3m8n h GLN 99 N 1.13 0.19 0.05 1.92 5.75 -1.59 0.72 115.11 123.28 3m8n h GLN 99 Ca 0.45 -0.10 -0.25 0.00 -0.15 0.00 0.00 58.65 58.60 3m8n h GLN 99 Cb 0.24 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 3m8n h GLN 99 CO -0.19 0.63 -1.19 1.12 -2.65 0.00 0.00 178.83 176.54 3m8n h HIS 100 N -0.24 0.20 0.00 3.99 2.07 -1.45 -3.34 115.15 116.37 3m8n h HIS 100 Ca 0.01 -0.14 -0.33 0.00 -2.85 0.00 0.00 60.37 57.06 3m8n h HIS 100 Cb 0.59 -0.01 -0.05 0.00 2.57 0.00 0.00 27.41 30.52 3m8n h HIS 100 CO 0.09 1.13 -1.79 0.00 -3.07 0.00 0.00 177.93 174.28 3m8n n ALA 101 N -2.46 0.96 -0.09 6.11 0.00 0.59 -4.60 120.51 121.03 3m8n n ALA 101 Ca -0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.53 3m8n n ALA 101 Cb 0.99 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 3m8n n ALA 101 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3m8n n LEU 102 N -4.34 1.85 -0.11 0.00 7.94 -0.57 -4.40 117.00 117.38 3m8n n LEU 102 Ca -0.41 0.51 -0.06 0.00 -1.11 0.00 0.00 56.01 54.94 3m8n n LEU 102 Cb 0.77 -0.87 0.12 0.00 0.53 0.00 0.00 43.42 43.98 3m8n n LEU 102 CO 0.13 -0.20 0.81 1.05 -1.11 0.00 0.00 177.39 178.08 3m8n h GLU 103 N -1.00 0.81 0.00 1.96 -0.00 -1.08 -1.75 114.58 113.52 3m8n h GLU 103 Ca -0.13 -0.26 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 3m8n h GLU 103 Cb 0.85 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.53 3m8n h GLU 103 CO -0.08 0.86 0.00 -1.35 -0.00 0.00 0.00 179.01 178.44 3m8n h PRO 104 N 0.73 0.00 0.00 1.06 0.11 -1.81 -1.87 132.00 130.22 3m8n h PRO 104 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3m8n h PRO 104 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3m8n h PRO 104 CO 0.03 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.91 3m8n n ASN 105 N -2.76 0.00 0.13 -2.05 5.03 -0.89 -3.42 115.26 111.30 3m8n n ASN 105 Ca 0.00 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.54 3m8n n ASN 105 Cb 0.21 -0.31 0.47 0.00 -1.02 0.00 0.00 39.78 39.14 3m8n n ASN 105 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3m8n n ILE 106 N -2.45 1.18 -0.02 2.41 -0.00 -0.71 -2.05 119.36 117.73 3m8n n ILE 106 Ca 0.00 0.63 -0.22 0.00 -0.00 0.00 0.00 62.75 63.16 3m8n n ILE 106 Cb 0.00 -1.62 -0.13 0.00 -0.00 0.00 0.00 39.64 37.89 3m8n n ILE 106 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3m8n n GLY 107 N -1.15 -0.62 0.26 7.39 0.00 -0.71 -3.29 105.19 107.07 3m8n n GLY 107 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3m8n n GLY 107 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m8n h SER 108 N -0.17 0.95 0.02 1.61 0.02 -1.53 -2.33 113.55 112.12 3m8n h SER 108 Ca -0.41 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.12 3m8n h SER 108 Cb 1.88 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 64.09 3m8n h SER 108 CO 0.02 1.24 -0.47 0.00 -1.14 0.00 0.00 176.83 176.48 3m8n h ALA 109 N 0.80 -0.81 -0.86 3.77 0.00 -1.60 -2.64 119.26 117.93 3m8n h ALA 109 Ca 0.05 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.12 3m8n h ALA 109 Cb 1.00 0.83 -0.15 0.00 0.00 0.00 0.00 17.79 19.48 3m8n h ALA 109 CO 0.10 -1.03 0.11 -0.92 0.00 0.00 0.00 179.25 177.51 3m8n h TYR 110 N -0.64 0.13 -0.58 0.00 5.03 -1.52 -0.66 116.97 118.74 3m8n h TYR 110 Ca 0.03 0.06 0.12 0.00 2.58 0.00 0.00 58.73 61.51 3m8n h TYR 110 Cb 0.70 0.08 -0.11 0.00 1.55 0.00 0.00 36.73 38.94 3m8n h TYR 110 CO -0.46 -0.27 -0.18 0.35 -1.32 0.00 0.00 178.16 176.28 3m8n h PHE 111 N 0.13 -0.43 0.00 -3.82 3.04 -1.04 -0.01 116.94 114.82 3m8n h PHE 111 Ca 0.52 0.06 -0.11 0.00 3.98 0.00 0.00 57.97 62.41 3m8n h PHE 111 Cb 1.01 0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.78 3m8n h PHE 111 CO -0.37 -0.28 -0.77 -1.49 -2.02 0.00 0.00 178.31 173.38 3m8n h TRP 112 N -0.04 0.00 -0.28 0.41 4.06 -1.43 -3.33 115.95 115.34 3m8n h TRP 112 Ca 0.27 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 61.05 3m8n h TRP 112 Cb 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 3m8n h TRP 112 CO -0.51 0.83 -0.51 -0.07 -3.56 0.00 0.00 178.44 174.62 3m8n h LEU 113 N -1.00 0.89 -4.14 -4.49 3.38 -1.17 -3.35 115.31 105.43 3m8n h LEU 113 Ca -0.17 -0.46 -0.65 0.00 0.09 0.00 0.00 57.88 56.70 3m8n h LEU 113 Cb 0.90 -0.25 -0.34 0.00 0.09 0.00 0.00 40.66 41.06 3m8n h LEU 113 CO -0.10 1.23 0.26 0.00 0.09 0.00 0.00 178.44 179.92 3m8n n LEU 115 N -0.75 0.00 0.00 0.00 4.77 -1.25 -4.84 117.00 114.93 3m8n n LEU 115 Ca 0.54 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3m8n n LEU 115 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3m8n n LEU 115 CO 0.59 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.83 3m8n n LEU 127 N 0.00 0.00 -0.08 2.23 4.32 -1.26 -4.80 117.00 117.41 3m8n n LEU 127 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 3m8n n LEU 127 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3m8n n LEU 127 CO 0.00 0.00 0.44 -0.33 -1.22 0.00 0.00 177.39 176.28 3m8n h GLU 128 N 0.00 0.84 -0.77 3.23 3.07 -2.04 -3.28 114.58 115.63 3m8n h GLU 128 Ca 0.00 -0.53 -0.03 0.00 -0.50 0.00 0.00 59.36 58.30 3m8n h GLU 128 Cb 0.00 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 3m8n h GLU 128 CO 0.00 1.17 0.38 0.38 -1.40 0.00 0.00 179.01 179.53 3m8n h ASP 129 N 0.61 1.00 -0.84 1.42 -0.00 -2.03 -2.28 116.42 114.30 3m8n h ASP 129 Ca 0.01 -0.13 0.04 0.00 -0.00 0.00 0.00 57.03 56.95 3m8n h ASP 129 Cb 1.13 -0.26 -0.05 0.00 -0.00 0.00 0.00 39.33 40.15 3m8n h ASP 129 CO 0.12 0.85 0.54 -0.50 -0.00 0.00 0.00 179.24 180.24 3m8n h TRP 130 N 1.08 1.01 0.01 4.15 6.55 -1.90 -1.39 115.95 125.45 3m8n h TRP 130 Ca 0.26 0.03 -0.21 0.00 0.95 0.00 0.00 58.89 59.92 3m8n h TRP 130 Cb 0.11 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 3m8n h TRP 130 CO 0.01 0.57 -0.91 -0.07 -1.05 0.00 0.00 178.44 176.99 3m8n h LEU 131 N 1.04 0.31 0.79 -4.49 3.38 -1.56 -0.63 115.31 114.14 3m8n h LEU 131 Ca 0.34 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3m8n h LEU 131 Cb 0.04 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3m8n h LEU 131 CO -0.13 1.07 -0.38 -0.33 0.09 0.00 0.00 178.44 178.76 3m8n h GLU 132 N 0.12 -1.02 -0.03 1.13 5.08 -1.10 -1.02 114.58 117.75 3m8n h GLU 132 Ca -0.05 0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3m8n h GLU 132 Cb 1.55 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 3m8n h GLU 132 CO 0.14 -0.67 -0.20 0.00 -1.00 0.00 0.00 179.01 177.28 3m8n h ARG 133 N -1.17 0.05 -0.32 2.33 3.08 -1.29 -2.28 114.38 114.78 3m8n h ARG 133 Ca -0.11 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3m8n h ARG 133 Cb 0.83 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3m8n h ARG 133 CO 0.18 0.26 0.18 0.78 -1.07 0.00 0.00 179.97 180.29 3m8n h GLY 134 N 0.68 0.49 0.98 0.04 0.00 -1.07 -1.69 103.07 102.51 3m8n h GLY 134 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3m8n h GLY 134 CO 0.03 0.21 0.21 -1.82 0.00 0.00 0.00 176.54 175.17 3m8n h TYR 135 N 0.40 0.44 -0.53 5.60 5.03 -0.73 -2.14 116.97 125.04 3m8n h TYR 135 Ca 0.11 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 3m8n h TYR 135 Cb 0.06 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 3m8n h TYR 135 CO -0.03 0.31 0.24 0.00 -1.32 0.00 0.00 178.16 177.36 3m8n h ALA 136 N 1.09 1.42 0.24 1.82 0.00 -1.28 0.13 119.26 122.68 3m8n h ALA 136 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3m8n h ALA 136 Cb -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3m8n h ALA 136 CO -0.02 0.45 -0.11 0.00 0.00 0.00 0.00 179.25 179.56 3m8n h ALA 137 N 1.51 -0.32 -0.96 0.00 0.00 -1.21 -2.36 119.26 115.92 3m8n h ALA 137 Ca 0.18 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.09 3m8n h ALA 137 Cb 0.11 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3m8n h ALA 137 CO -0.02 -0.53 0.61 -0.07 0.00 0.00 0.00 179.25 179.24 3m8n h LEU 138 N -0.63 0.73 -0.93 0.00 3.38 -1.08 -0.55 115.31 116.22 3m8n h LEU 138 Ca -0.03 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3m8n h LEU 138 Cb 0.45 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3m8n h LEU 138 CO 0.05 0.32 0.26 1.56 0.09 0.00 0.00 178.44 180.72 3m8n h GLN 139 N 0.74 1.04 -0.69 1.13 1.08 -0.67 0.19 115.11 117.92 3m8n h GLN 139 Ca 0.51 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 3m8n h GLN 139 Cb 0.81 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3m8n h GLN 139 CO -0.28 0.86 0.00 0.28 -0.95 0.00 0.00 178.83 178.74 3m8n n VAL 140 N -4.29 0.09 0.00 -0.54 0.31 -0.22 -1.11 118.33 112.58 3m8n n VAL 140 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3m8n n VAL 140 Cb 0.19 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3m8n n VAL 140 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3m8n n GLU 142 N 0.44 0.00 -0.29 5.55 4.07 0.65 -1.54 120.64 129.52 3m8n n GLU 142 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 3m8n n GLU 142 Cb 0.12 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.60 3m8n n GLU 142 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 3m8n h ASN 143 N 0.00 0.86 -0.36 4.31 -1.24 -1.37 -2.16 115.58 115.62 3m8n h ASN 143 Ca 0.00 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 3m8n h ASN 143 Cb 0.00 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 3m8n h ASN 143 CO 0.00 0.59 -0.05 -0.74 -1.29 0.00 0.00 177.43 175.95 3m8n h HIS 144 N 1.01 0.83 0.00 0.67 2.76 -1.53 -3.26 115.15 115.62 3m8n h HIS 144 Ca 0.33 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3m8n h HIS 144 Cb 0.01 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.75 3m8n h HIS 144 CO -0.03 0.79 -0.40 -0.07 -1.30 0.00 0.00 177.93 176.92 3m8n h LEU 145 N 0.71 0.00 -1.66 0.26 3.38 -1.70 -3.10 115.31 113.20 3m8n h LEU 145 Ca 0.13 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.16 3m8n h LEU 145 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3m8n h LEU 145 CO 0.03 0.04 0.46 0.11 0.09 0.00 0.00 178.44 179.16 3m8n h LYS 146 N 0.00 0.34 0.00 1.13 1.57 -1.44 -3.05 116.57 115.12 3m8n h LYS 146 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3m8n h LYS 146 Cb 0.84 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3m8n h LYS 146 CO 0.00 0.23 -1.41 2.41 -0.57 0.00 0.00 179.45 180.11 3m8n n THR 147 N -4.46 0.00 -4.34 -0.16 -1.04 -1.20 -5.01 114.28 98.06 3m8n n THR 147 Ca 0.12 -0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 61.66 3m8n n THR 147 Cb 0.50 0.44 -0.15 0.00 -1.82 0.00 0.00 70.33 69.30 3m8n n THR 147 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3m8n s ASN 148 N -3.43 1.01 0.12 8.00 0.01 -1.15 -5.06 114.94 114.43 3m8n s ASN 148 Ca -0.02 -0.16 -0.10 0.00 -0.71 0.00 0.00 52.86 51.88 3m8n s ASN 148 Cb 0.11 -0.13 -0.11 0.00 0.41 0.00 0.00 41.25 41.54 3m8n s ASN 148 CO 0.69 0.10 1.33 0.44 -1.51 0.00 0.00 177.10 178.15 3m8n h ASP 149 N 5.97 0.82 -4.38 -1.22 3.32 -1.91 -3.40 116.42 115.62 3m8n h ASP 149 Ca -0.31 -0.55 -0.39 0.00 0.02 0.00 0.00 57.03 55.80 3m8n h ASP 149 Cb 1.18 -0.24 -0.20 0.00 0.22 0.00 0.00 39.33 40.28 3m8n h ASP 149 CO 0.50 1.34 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.29 3m8n s TYR 150 N -3.66 1.19 0.33 4.55 2.02 -1.26 -4.87 117.35 115.64 3m8n s TYR 150 Ca -0.09 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.12 3m8n s TYR 150 Cb 0.09 -0.66 0.63 0.00 -0.40 0.00 0.00 41.96 41.62 3m8n s TYR 150 CO 0.89 0.06 1.92 0.74 -1.57 0.00 0.00 175.55 177.59 3m8n h PHE 151 N 3.99 0.93 -3.93 2.71 0.04 -1.90 -3.41 116.94 115.36 3m8n h PHE 151 Ca -0.40 0.02 -0.24 0.00 2.80 0.00 0.00 57.97 60.16 3m8n h PHE 151 Cb 1.19 -0.30 -0.23 0.00 2.20 0.00 0.00 35.95 38.81 3m8n h PHE 151 CO 0.64 0.47 -0.72 0.00 -0.60 0.00 0.00 178.31 178.10 3m8n s ALA 152 N -5.80 0.31 0.00 2.45 0.00 -1.26 -4.87 121.76 112.59 3m8n s ALA 152 Ca -0.11 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3m8n s ALA 152 Cb 0.20 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3m8n s ALA 152 CO 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 175.76 176.50 3m8n n ALA 153 N 1.91 0.00 -3.57 0.00 0.00 -1.26 -2.28 120.51 115.32 3m8n n ALA 153 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 3m8n n ALA 153 Cb 0.56 -0.92 0.08 0.00 0.00 0.00 0.00 19.45 19.16 3m8n n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m8n n GLY 154 N -0.99 -0.51 3.67 0.00 0.00 -1.26 -4.98 105.19 101.11 3m8n n GLY 154 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 3m8n n GLY 154 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3m8n s GLN 155 N -6.26 0.81 0.03 1.61 -2.07 -0.96 -4.90 119.66 107.91 3m8n s GLN 155 Ca 0.56 -0.42 -0.30 0.00 -1.82 0.00 0.00 55.36 53.37 3m8n s GLN 155 Cb -0.25 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 31.90 3m8n s GLN 155 CO 0.71 -0.37 1.41 -1.17 -1.32 0.00 0.00 175.29 174.56 3m8n s LEU 156 N -2.84 4.33 0.36 2.60 2.96 -1.26 -4.46 118.68 120.37 3m8n s LEU 156 Ca 0.12 2.18 0.04 0.00 -0.22 0.00 0.00 54.13 56.25 3m8n s LEU 156 Cb 0.01 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3m8n s LEU 156 CO -0.02 -0.71 0.16 0.42 -1.32 0.00 0.00 176.35 174.89 3m8n s THR 157 N 2.14 0.43 0.02 3.68 -4.23 -1.26 -4.65 115.64 111.76 3m8n s THR 157 Ca 0.65 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.47 3m8n s THR 157 Cb -0.33 -2.43 0.34 0.00 1.34 0.00 0.00 72.50 71.42 3m8n s THR 157 CO 0.28 0.00 1.94 0.16 -0.54 0.00 0.00 174.62 176.46 3m8n h ILE 158 N 1.98 0.00 -0.58 2.99 -0.00 -1.91 0.12 117.51 120.12 3m8n h ILE 158 Ca -0.33 -0.24 0.06 0.00 -0.00 0.00 0.00 64.86 64.35 3m8n h ILE 158 Cb 1.26 1.08 -0.05 0.00 -0.00 0.00 0.00 36.82 39.11 3m8n h ILE 158 CO 0.52 0.00 0.28 0.00 -0.00 0.00 0.00 178.15 178.95 3m8n h ALA 159 N 2.07 0.75 -0.40 0.16 0.00 -1.87 0.98 119.26 120.95 3m8n h ALA 159 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3m8n h ALA 159 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3m8n h ALA 159 CO 0.00 -0.08 -0.15 -0.44 0.00 0.00 0.00 179.25 178.58 3m8n h ASP 160 N 0.53 0.84 -0.50 0.00 3.32 -1.12 -2.62 116.42 116.85 3m8n h ASP 160 Ca 0.27 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.95 3m8n h ASP 160 Cb 0.21 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3m8n h ASP 160 CO -0.20 1.04 0.30 0.40 -1.72 0.00 0.00 179.24 179.06 3m8n h ILE 161 N 0.63 1.06 -0.70 0.35 2.04 -1.36 0.89 117.51 120.42 3m8n h ILE 161 Ca 0.10 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.80 3m8n h ILE 161 Cb 0.70 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3m8n h ILE 161 CO 0.05 0.11 0.41 0.00 0.00 0.00 0.00 178.15 178.72 3m8n h ALA 162 N 1.22 0.94 -0.05 1.87 0.00 -0.75 -2.32 119.26 120.16 3m8n h ALA 162 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 3m8n h ALA 162 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3m8n h ALA 162 CO -0.09 0.12 -0.81 -0.07 0.00 0.00 0.00 179.25 178.40 3m8n h LEU 163 N 0.77 0.52 -0.49 0.00 3.38 -1.05 -3.12 115.31 115.32 3m8n h LEU 163 Ca 0.30 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.99 3m8n h LEU 163 Cb 0.14 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3m8n h LEU 163 CO -0.16 1.14 0.07 0.22 0.09 0.00 0.00 178.44 179.79 3m8n h TYR 164 N 0.27 0.10 -0.82 1.13 3.20 0.11 -3.03 116.97 117.92 3m8n h TYR 164 Ca -0.05 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.95 3m8n h TYR 164 Cb 1.41 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 39.60 3m8n h TYR 164 CO 0.05 -0.04 -0.40 0.41 -1.64 0.00 0.00 178.16 176.54 3m8n n GLY 165 N -1.29 -1.91 0.10 1.82 0.00 -0.90 -1.92 105.19 101.09 3m8n n GLY 165 Ca 0.05 0.95 -0.12 0.00 0.00 0.00 0.00 46.02 46.90 3m8n n GLY 165 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m8n n TYR 166 N -5.13 0.49 -0.03 1.61 4.01 -1.23 -4.12 117.16 112.76 3m8n n TYR 166 Ca 0.05 0.15 0.08 0.00 -0.16 0.00 0.00 57.90 58.03 3m8n n TYR 166 Cb 0.28 -1.08 0.47 0.00 -0.31 0.00 0.00 39.34 38.69 3m8n n TYR 166 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3m8n h THR 167 N 0.01 0.99 -0.07 -0.72 2.02 -1.36 -1.80 112.91 111.99 3m8n h THR 167 Ca -0.45 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 3m8n h THR 167 Cb 2.09 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 3m8n h THR 167 CO 0.04 0.08 -0.44 -0.74 0.37 0.00 0.00 175.52 174.83 3m8n h HIS 168 N 0.46 0.18 -0.39 3.16 -0.00 -1.55 -3.22 115.15 113.78 3m8n h HIS 168 Ca 0.21 -0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 3m8n h HIS 168 Cb 0.25 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 3m8n h HIS 168 CO -0.00 0.57 -0.18 -0.39 -0.00 0.00 0.00 177.93 177.93 3m8n h VAL 169 N 0.12 1.26 0.00 5.26 -1.51 -1.48 -1.14 116.25 118.77 3m8n h VAL 169 Ca 0.01 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 3m8n h VAL 169 Cb 0.83 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3m8n h VAL 169 CO 0.06 0.42 0.00 0.00 -1.23 0.00 0.00 177.57 176.83 3m8n n ALA 170 N -2.49 2.05 -0.10 5.19 0.00 -1.21 -0.76 120.51 123.18 3m8n n ALA 170 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 3m8n n ALA 170 Cb 0.40 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 3m8n n ALA 170 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m8n n ASP 171 N 0.12 2.26 -0.02 0.00 9.92 -0.43 -4.24 116.55 124.15 3m8n n ASP 171 Ca 0.00 -0.03 -0.13 0.00 -0.53 0.00 0.00 54.79 54.10 3m8n n ASP 171 Cb 0.16 -0.38 -0.08 0.00 -0.64 0.00 0.00 41.12 40.18 3m8n n ASP 171 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 3m8n h GLN 172 N -0.16 0.11 0.00 -1.24 7.50 -1.27 -3.06 115.11 116.99 3m8n h GLN 172 Ca -0.46 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.64 3m8n h GLN 172 Cb 1.64 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.17 3m8n h GLN 172 CO -0.12 0.49 0.00 0.00 -1.50 0.00 0.00 178.83 177.70 3m8n n ASP 174 N -0.03 0.00 -2.33 0.00 9.92 -1.16 -4.89 116.55 118.06 3m8n n ASP 174 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3m8n n ASP 174 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3m8n n ASP 174 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3m8n n PHE 175 N 0.00 0.00 -1.55 1.24 -0.00 -1.26 -4.28 117.46 111.61 3m8n n PHE 175 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.21 3m8n n PHE 175 Cb 0.00 -0.92 -0.07 0.00 -0.00 0.00 0.00 39.48 38.49 3m8n n PHE 175 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3m8n n ASP 176 N 2.18 1.67 -0.13 5.98 9.92 -1.26 -4.69 116.55 130.23 3m8n n ASP 176 Ca 0.00 -0.94 0.14 0.00 -0.53 0.00 0.00 54.79 53.46 3m8n n ASP 176 Cb 0.00 -1.51 0.59 0.00 -0.64 0.00 0.00 41.12 39.57 3m8n n ASP 176 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3m8n n LEU 177 N 16.22 0.52 -0.20 0.64 7.99 -1.26 -4.03 117.00 136.88 3m8n n LEU 177 Ca 0.46 -0.02 -0.04 0.00 -0.01 0.00 0.00 56.01 56.41 3m8n n LEU 177 Cb 0.43 -0.18 -0.02 0.00 -0.11 0.00 0.00 43.42 43.54 3m8n n LEU 177 CO 0.67 0.10 0.25 -1.54 -1.51 0.00 0.00 177.39 175.36 3m8n n SER 178 N -0.92 -0.44 0.04 -1.43 3.41 -1.26 -0.70 113.62 112.33 3m8n n SER 178 Ca 0.14 0.85 0.07 0.00 -0.26 0.00 0.00 58.87 59.67 3m8n n SER 178 Cb 0.28 -0.14 0.30 0.00 -0.26 0.00 0.00 64.21 64.39 3m8n n SER 178 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3m8n n THR 179 N -4.64 1.20 -3.16 6.66 5.66 -1.26 -3.97 114.28 114.78 3m8n n THR 179 Ca 0.02 0.35 -0.28 0.00 -3.05 0.00 0.00 64.05 61.10 3m8n n THR 179 Cb 0.15 -1.22 -0.06 0.00 -1.55 0.00 0.00 70.33 67.65 3m8n n THR 179 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3m8n n PHE 180 N -1.73 3.82 0.19 1.09 3.72 0.13 -4.98 117.46 119.70 3m8n n PHE 180 Ca 0.02 -4.01 0.04 0.00 -0.05 0.00 0.00 57.45 53.45 3m8n n PHE 180 Cb 0.13 -0.55 0.46 0.00 -0.94 0.00 0.00 39.48 38.57 3m8n n PHE 180 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3m8n h PRO 181 N 3.60 0.08 0.02 -1.08 0.13 -1.72 -2.47 132.00 130.56 3m8n h PRO 181 Ca 0.17 -0.02 -0.22 0.00 -0.87 0.00 0.00 66.00 65.07 3m8n h PRO 181 Cb 0.57 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3m8n h PRO 181 CO 0.85 0.25 -0.95 0.00 -0.23 0.00 0.00 178.00 177.92 3m8n h ALA 182 N 1.75 0.40 0.60 -0.56 0.00 -1.93 -2.46 119.26 117.06 3m8n h ALA 182 Ca 0.02 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 3m8n h ALA 182 Cb 0.35 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3m8n h ALA 182 CO 0.02 0.88 -0.29 0.28 0.00 0.00 0.00 179.25 180.15 3m8n h VAL 183 N 0.16 0.00 -1.11 0.00 2.07 -1.81 -2.46 116.25 113.09 3m8n h VAL 183 Ca -0.07 -0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.88 3m8n h VAL 183 Cb 1.59 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.20 3m8n h VAL 183 CO 0.15 0.00 0.65 0.59 0.02 0.00 0.00 177.57 178.98 3m8n n ASN 184 N -4.17 0.30 0.18 0.57 3.02 -0.95 0.71 115.26 114.91 3m8n n ASN 184 Ca -0.10 1.54 0.03 0.00 -0.03 0.00 0.00 54.58 56.03 3m8n n ASN 184 Cb 0.32 -0.75 0.32 0.00 -0.61 0.00 0.00 39.78 39.05 3m8n n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m8n h ALA 185 N 1.83 1.09 0.07 5.41 0.00 -1.15 -2.62 119.26 123.90 3m8n h ALA 185 Ca 0.85 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 55.12 3m8n h ALA 185 Cb 2.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 3m8n h ALA 185 CO -0.66 0.53 -1.28 2.35 0.00 0.00 0.00 179.25 180.20 3m8n h TRP 186 N 0.00 0.28 -0.76 0.00 7.01 0.74 -2.83 115.95 120.39 3m8n h TRP 186 Ca -0.00 -0.20 0.17 0.00 2.11 0.00 0.00 58.89 60.97 3m8n h TRP 186 Cb 0.87 -0.01 -0.13 0.00 -2.10 0.00 0.00 29.16 27.79 3m8n h TRP 186 CO 0.00 1.50 0.03 -0.07 -2.79 0.00 0.00 178.44 177.11 3m8n h LEU 187 N -0.53 -0.30 -0.11 0.65 3.38 -0.87 -0.18 115.31 117.34 3m8n h LEU 187 Ca -0.30 0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3m8n h LEU 187 Cb 1.58 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3m8n h LEU 187 CO -0.02 -0.17 0.03 0.03 0.09 0.00 0.00 178.44 178.40 3m8n h ARG 188 N 0.12 0.08 -0.80 1.13 -0.00 -1.55 -1.71 114.38 111.65 3m8n h ARG 188 Ca 0.42 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.90 3m8n h ARG 188 Cb 0.75 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.66 3m8n h ARG 188 CO -0.65 0.05 0.51 -0.09 0.00 0.00 0.00 179.97 179.78 3m8n h ARG 189 N 0.08 1.07 -0.27 0.04 2.43 -0.91 -1.11 114.38 115.71 3m8n h ARG 189 Ca 0.05 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3m8n h ARG 189 Cb 0.04 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3m8n h ARG 189 CO -0.06 0.73 -0.23 0.28 -1.51 0.00 0.00 179.97 179.17 3m8n h VAL 190 N 1.09 1.31 -0.29 0.20 2.07 -1.01 -3.05 116.25 116.57 3m8n h VAL 190 Ca 0.29 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3m8n h VAL 190 Cb -0.09 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3m8n h VAL 190 CO -0.06 0.44 0.28 -0.33 0.02 0.00 0.00 177.57 177.92 3m8n h GLU 191 N 0.36 0.00 -0.01 1.57 5.08 -0.34 -2.38 114.58 118.86 3m8n h GLU 191 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3m8n h GLU 191 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3m8n h GLU 191 CO 0.06 0.00 -0.26 1.04 -1.00 0.00 0.00 179.01 178.85 3m8n n GLN 192 N -3.93 0.68 -1.73 2.33 1.13 -0.52 -4.83 117.38 110.50 3m8n n GLN 192 Ca 0.04 -0.37 -0.42 0.00 -1.94 0.00 0.00 57.00 54.31 3m8n n GLN 192 Cb 0.43 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 3m8n n GLN 192 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3m8n n THR 193 N -0.84 1.42 -1.68 5.09 -1.04 -0.90 -4.95 114.28 111.38 3m8n n THR 193 Ca 0.12 -0.35 -0.40 0.00 -2.04 0.00 0.00 64.05 61.37 3m8n n THR 193 Cb 0.33 -1.80 0.02 0.00 -1.82 0.00 0.00 70.33 67.06 3m8n n THR 193 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3m8n n PRO 194 N 1.43 1.65 -0.64 -2.82 -0.02 -1.26 -2.60 135.00 130.74 3m8n n PRO 194 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3m8n n PRO 194 Cb 0.36 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3m8n n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m8n n GLY 195 N 0.93 1.65 3.72 -1.23 0.00 -1.26 -4.79 105.19 104.21 3m8n n GLY 195 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3m8n n GLY 195 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m8n n PHE 196 N -2.00 2.60 -4.34 1.61 7.35 -1.07 -4.10 117.46 117.50 3m8n n PHE 196 Ca 0.00 0.33 -0.21 0.00 -0.76 0.00 0.00 57.45 56.81 3m8n n PHE 196 Cb 0.00 -2.54 -0.11 0.00 0.35 0.00 0.00 39.48 37.18 3m8n n PHE 196 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3m8n s ILE 197 N -0.08 1.84 0.00 -2.13 -4.36 -1.26 -5.07 121.20 110.14 3m8n s ILE 197 Ca 0.65 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3m8n s ILE 197 Cb -0.55 -1.91 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3m8n s ILE 197 CO 0.50 -0.38 0.00 0.35 0.24 0.00 0.00 174.94 175.64 3m8n n THR 198 N 0.09 0.00 0.00 8.37 -2.24 -1.26 -4.96 114.28 114.28 3m8n n THR 198 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3m8n n THR 198 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3m8n n THR 198 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3m8n n ASP 200 N 0.00 0.00 -4.77 3.42 5.75 -1.26 -4.86 116.55 114.83 3m8n n ASP 200 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 3m8n n ASP 200 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3m8n n ASP 200 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3m8n s TRP 201 N 0.00 2.74 0.14 2.11 -0.00 -1.26 -5.06 118.94 117.60 3m8n s TRP 201 Ca 0.00 1.12 0.01 0.00 -0.00 0.00 0.00 56.10 57.23 3m8n s TRP 201 Cb 0.00 -3.96 -0.04 0.00 -0.00 0.00 0.00 33.47 29.47 3m8n s TRP 201 CO 0.00 -2.90 0.00 0.95 -0.00 0.00 0.00 176.95 175.01 3m8n s THR 202 N -0.80 0.47 -2.89 5.86 -4.23 -1.26 -5.16 115.64 107.63 3m8n s THR 202 Ca 0.55 -1.94 0.25 0.00 -1.18 0.00 0.00 61.69 59.37 3m8n s THR 202 Cb -0.45 -1.97 0.27 0.00 1.34 0.00 0.00 72.50 71.68 3m8n s THR 202 CO 0.57 -0.59 1.36 -0.81 -0.54 0.00 0.00 174.62 174.61