#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4nll s LYS 2 N 0.00 0.08 -0.18 0.03 1.02 -1.26 -2.10 119.74 117.34 4nll s LYS 2 Ca 0.00 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 55.84 4nll s LYS 2 Cb 0.00 0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.35 4nll s LYS 2 CO 0.00 -0.01 -0.19 0.42 -0.92 0.00 0.00 175.35 174.65 4nll s ILE 3 N -0.36 2.20 -0.10 2.17 1.01 0.07 -3.17 121.20 123.03 4nll s ILE 3 Ca -0.04 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.72 4nll s ILE 3 Cb -0.02 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 4nll s ILE 3 CO -0.00 0.53 -0.13 -0.69 0.00 0.00 0.00 174.94 174.65 4nll s VAL 4 N 1.20 3.11 0.18 2.92 1.01 -0.34 0.48 120.40 128.96 4nll s VAL 4 Ca 0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 4nll s VAL 4 Cb -0.14 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.98 4nll s VAL 4 CO -0.10 0.55 0.41 -0.72 0.00 0.00 0.00 175.10 175.24 4nll s TYR 5 N -0.10 0.14 -0.02 5.22 -0.85 -0.88 -1.19 117.35 119.66 4nll s TYR 5 Ca -0.02 -0.49 0.04 0.00 -0.52 0.00 0.00 57.07 56.08 4nll s TYR 5 Cb -0.14 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 4nll s TYR 5 CO 0.04 -0.83 -0.14 -0.46 -1.52 0.00 0.00 175.55 172.63 4nll s TRP 6 N -3.92 1.38 -0.10 -3.49 -0.00 -0.65 -0.32 118.94 111.84 4nll s TRP 6 Ca 0.13 -0.32 -0.04 0.00 -0.00 0.00 0.00 56.10 55.87 4nll s TRP 6 Cb 0.01 -0.92 0.05 0.00 -0.00 0.00 0.00 33.47 32.61 4nll s TRP 6 CO -0.01 -0.08 0.21 0.45 -0.00 0.00 0.00 176.95 177.52 4nll s SER 7 N -0.13 -0.06 0.02 5.86 0.15 -1.26 -3.99 113.70 114.29 4nll s SER 7 Ca 0.01 0.46 0.13 0.00 0.70 0.00 0.00 55.95 57.25 4nll s SER 7 Cb -0.08 0.37 -0.19 0.00 -1.71 0.00 0.00 66.02 64.41 4nll s SER 7 CO 0.00 -0.18 0.82 1.23 1.20 0.00 0.00 173.24 176.32 4nll h GLY 8 N 7.45 0.00 0.00 9.45 0.00 -2.01 -3.40 103.07 114.56 4nll h GLY 8 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 4nll h GLY 8 CO 0.34 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.58 4nll n THR 9 N -3.05 0.00 0.00 4.70 -2.24 -1.26 -5.03 114.28 107.40 4nll n THR 9 Ca -0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 4nll n THR 9 Cb 0.97 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.63 4nll n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4nll n GLY 10 N 0.06 0.60 0.08 3.38 0.00 -1.26 -5.01 105.19 103.05 4nll n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 4nll n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 4nll h ASN 11 N 0.00 -0.07 0.05 1.61 -0.26 -1.94 -1.55 115.58 113.42 4nll h ASN 11 Ca 0.00 -0.33 -0.10 0.00 -0.56 0.00 0.00 56.30 55.31 4nll h ASN 11 Cb 0.00 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 4nll h ASN 11 CO 0.00 0.29 -0.32 0.74 -1.06 0.00 0.00 177.43 177.09 4nll h THR 12 N -0.45 1.28 -0.65 2.81 2.02 -1.89 -2.18 112.91 113.84 4nll h THR 12 Ca -0.01 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 4nll h THR 12 Cb 0.39 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 4nll h THR 12 CO 0.01 0.42 0.40 -0.08 0.37 0.00 0.00 175.52 176.65 4nll h GLU 13 N 0.34 0.88 -0.80 6.66 4.81 -1.82 0.18 114.58 124.83 4nll h GLU 13 Ca 0.04 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 4nll h GLU 13 Cb 0.73 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 4nll h GLU 13 CO 0.06 0.62 0.34 -0.22 -0.73 0.00 0.00 179.01 179.08 4nll h LYS 14 N 0.89 1.18 -0.50 1.92 1.63 -0.98 -1.54 116.57 119.17 4nll h LYS 14 Ca 0.24 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 4nll h LYS 14 Cb -0.04 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.37 4nll h LYS 14 CO -0.05 0.94 0.24 0.52 -3.45 0.00 0.00 179.45 177.65 4nll h MET 15 N 1.16 0.72 -0.56 1.90 2.86 -0.75 -2.17 114.93 118.09 4nll h MET 15 Ca 0.27 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 57.86 4nll h MET 15 Cb 0.18 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 4nll h MET 15 CO -0.03 0.59 0.28 0.00 1.06 0.00 0.00 176.91 178.81 4nll h ALA 16 N 1.08 0.72 -0.80 6.32 0.00 -0.36 -0.03 119.26 126.20 4nll h ALA 16 Ca 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 4nll h ALA 16 Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 4nll h ALA 16 CO -0.02 -0.07 0.49 0.93 0.00 0.00 0.00 179.25 180.58 4nll h GLU 17 N 0.53 1.07 -0.36 0.00 5.08 -1.07 -0.91 114.58 118.92 4nll h GLU 17 Ca 0.25 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 4nll h GLU 17 Cb 0.18 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 4nll h GLU 17 CO -0.19 0.75 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.06 4nll h LEU 18 N 1.09 1.00 -0.77 1.33 3.38 -0.73 -1.50 115.31 119.11 4nll h LEU 18 Ca 0.29 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 4nll h LEU 18 Cb -0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 4nll h LEU 18 CO -0.06 1.29 0.33 0.40 0.09 0.00 0.00 178.44 180.50 4nll h ILE 19 N 0.74 1.25 -0.81 1.22 2.04 -0.83 -1.88 117.51 119.25 4nll h ILE 19 Ca 0.05 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 4nll h ILE 19 Cb 1.04 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 4nll h ILE 19 CO 0.10 0.32 0.34 0.00 0.00 0.00 0.00 178.15 178.91 4nll h ALA 20 N 1.17 1.05 -0.83 1.87 0.00 -1.05 -2.29 119.26 119.18 4nll h ALA 20 Ca 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.99 4nll h ALA 20 Cb 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 4nll h ALA 20 CO -0.03 0.66 0.55 -0.22 0.00 0.00 0.00 179.25 180.21 4nll h LYS 21 N 1.17 1.10 -0.62 0.00 3.64 -0.65 -0.96 116.57 120.25 4nll h LYS 21 Ca 0.27 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 4nll h LYS 21 Cb 0.19 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 4nll h LYS 21 CO -0.03 0.73 0.15 0.78 -2.27 0.00 0.00 179.45 178.81 4nll h GLY 22 N 1.13 1.07 0.92 5.01 0.00 -0.83 0.81 103.07 111.18 4nll h GLY 22 Ca 0.30 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 4nll h GLY 22 CO -0.07 0.62 0.13 -2.22 0.00 0.00 0.00 176.54 175.00 4nll h ILE 23 N 0.91 1.18 -0.57 2.60 2.04 -1.10 -1.63 117.51 120.93 4nll h ILE 23 Ca 0.19 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 4nll h ILE 23 Cb 0.35 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 4nll h ILE 23 CO 0.00 0.20 0.24 0.40 0.00 0.00 0.00 178.15 178.99 4nll h ILE 24 N 0.37 1.22 0.00 -0.67 2.04 -1.03 -1.91 117.51 117.54 4nll h ILE 24 Ca 0.11 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 4nll h ILE 24 Cb 0.19 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 4nll h ILE 24 CO -0.01 0.26 -0.04 -0.33 0.00 0.00 0.00 178.15 178.04 4nll h GLU 25 N 0.78 0.00 -0.00 2.37 5.08 -0.61 0.18 114.58 122.39 4nll h GLU 25 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 4nll h GLU 25 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 4nll h GLU 25 CO -0.02 0.04 0.00 0.43 -1.00 0.00 0.00 179.01 178.46 4nll n SER 26 N -4.12 0.00 0.00 1.42 7.64 -0.64 -4.88 113.62 113.05 4nll n SER 26 Ca -0.03 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.79 4nll n SER 26 Cb 0.13 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 4nll n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4nll n GLY 27 N 0.97 0.88 3.68 0.23 0.00 0.64 -5.09 105.19 106.49 4nll n GLY 27 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 4nll n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4nll s LYS 28 N -0.89 2.41 0.11 1.61 1.02 -0.96 -5.01 119.74 118.03 4nll s LYS 28 Ca 0.00 -1.33 -0.08 0.00 0.02 0.00 0.00 55.97 54.58 4nll s LYS 28 Cb 0.00 -2.25 -0.06 0.00 -0.52 0.00 0.00 37.83 35.00 4nll s LYS 28 CO 0.00 0.38 0.41 0.34 -0.92 0.00 0.00 175.35 175.56 4nll s ASP 29 N -3.63 6.60 -0.13 2.83 2.15 -1.26 -3.43 116.67 119.80 4nll s ASP 29 Ca 0.31 0.75 -0.20 0.00 0.43 0.00 0.00 52.55 53.84 4nll s ASP 29 Cb -0.07 -2.16 0.05 0.00 -0.30 0.00 0.00 42.92 40.44 4nll s ASP 29 CO 0.21 0.12 0.52 0.54 -0.17 0.00 0.00 175.17 176.38 4nll s VAL 30 N -1.51 0.01 -0.06 1.11 0.11 -1.26 -1.67 120.40 117.13 4nll s VAL 30 Ca 0.37 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 4nll s VAL 30 Cb -0.13 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 4nll s VAL 30 CO 0.20 -0.06 -0.24 0.20 -3.33 0.00 0.00 175.10 171.87 4nll s ASN 31 N -0.39 3.01 -0.17 3.54 -0.87 -0.89 -4.95 114.94 114.22 4nll s ASN 31 Ca -0.05 -0.51 -0.09 0.00 -1.57 0.00 0.00 52.86 50.64 4nll s ASN 31 Cb -0.03 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.25 40.28 4nll s ASN 31 CO 0.04 0.23 0.12 0.42 -2.57 0.00 0.00 177.10 175.34 4nll s THR 32 N -0.11 5.36 -0.06 1.60 -4.23 -1.26 -0.75 115.64 116.20 4nll s THR 32 Ca -0.05 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.64 4nll s THR 32 Cb -0.14 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.31 4nll s THR 32 CO 0.04 0.50 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.93 4nll s ILE 33 N -0.10 0.69 0.40 2.99 1.01 0.18 -4.94 121.20 121.43 4nll s ILE 33 Ca 0.10 -0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 4nll s ILE 33 Cb -0.11 -0.70 -0.08 0.00 0.01 0.00 0.00 42.46 41.57 4nll s ILE 33 CO 0.00 0.27 1.14 0.21 0.00 0.00 0.00 174.94 176.56 4nll s ASN 34 N 1.04 6.57 0.53 3.58 3.84 -1.26 -2.07 114.94 127.17 4nll s ASN 34 Ca -0.09 2.27 0.28 0.00 0.21 0.00 0.00 52.86 55.53 4nll s ASN 34 Cb -0.14 -2.61 1.43 0.00 -0.55 0.00 0.00 41.25 39.38 4nll s ASN 34 CO -0.00 -0.64 1.96 1.62 -2.79 0.00 0.00 177.10 177.24 4nll h VAL 35 N 2.27 0.66 0.00 -5.21 3.04 -1.03 -0.51 116.25 115.48 4nll h VAL 35 Ca -0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.18 4nll h VAL 35 Cb 1.23 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 4nll h VAL 35 CO 0.62 0.00 -0.14 0.77 -1.01 0.00 0.00 177.57 177.82 4nll h SER 36 N 0.00 0.00 -0.29 3.17 4.64 -1.91 -3.07 113.55 116.09 4nll h SER 36 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 4nll h SER 36 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 4nll h SER 36 CO -0.00 0.14 0.00 0.47 -0.87 0.00 0.00 176.83 176.56 4nll n ASP 37 N -3.35 3.26 -4.77 4.97 8.00 -0.21 -5.01 116.55 119.44 4nll n ASP 37 Ca -0.00 -1.96 -0.39 0.00 0.71 0.00 0.00 54.79 53.15 4nll n ASP 37 Cb 0.34 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 4nll n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 4nll s VAL 38 N -1.52 3.58 -0.29 2.53 0.11 -1.16 -4.95 120.40 118.69 4nll s VAL 38 Ca 0.34 1.41 -0.07 0.00 -2.93 0.00 0.00 61.98 60.73 4nll s VAL 38 Cb 0.21 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 4nll s VAL 38 CO 0.29 0.21 0.09 0.21 -3.33 0.00 0.00 175.10 172.57 4nll s ASN 39 N -1.18 5.19 0.12 3.54 3.84 -1.26 -5.01 114.94 120.17 4nll s ASN 39 Ca 0.50 -0.62 -0.24 0.00 0.21 0.00 0.00 52.86 52.71 4nll s ASN 39 Cb -0.28 -1.90 -0.07 0.00 -0.55 0.00 0.00 41.25 38.45 4nll s ASN 39 CO 0.35 -0.18 1.67 0.40 -2.79 0.00 0.00 177.10 176.56 4nll h ILE 40 N 5.79 0.62 -0.98 -5.21 1.08 -1.99 -1.99 117.51 114.83 4nll h ILE 40 Ca -0.32 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.29 4nll h ILE 40 Cb 1.13 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 35.42 4nll h ILE 40 CO 0.60 0.00 0.62 0.44 -0.69 0.00 0.00 178.15 179.12 4nll h ASP 41 N -0.25 0.84 0.61 1.72 3.32 -2.00 -0.00 116.42 120.66 4nll h ASP 41 Ca 0.05 0.06 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 4nll h ASP 41 Cb 0.32 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 4nll h ASP 41 CO -0.16 0.41 -0.77 -0.33 -1.72 0.00 0.00 179.24 176.67 4nll h GLU 42 N 0.88 0.12 -0.23 3.56 5.08 -1.94 -3.20 114.58 118.85 4nll h GLU 42 Ca 0.51 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.61 4nll h GLU 42 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 4nll h GLU 42 CO -0.28 0.83 -0.43 1.25 -1.00 0.00 0.00 179.01 179.38 4nll h LEU 43 N 0.08 0.59 0.00 1.33 5.85 -0.29 -3.12 115.31 119.75 4nll h LEU 43 Ca -0.02 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.42 4nll h LEU 43 Cb 1.36 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.22 4nll h LEU 43 CO 0.11 0.95 0.00 0.18 -0.34 0.00 0.00 178.44 179.34 4nll n LEU 44 N -4.01 0.00 0.01 2.25 4.32 -0.42 -2.10 117.00 117.04 4nll n LEU 44 Ca -0.02 0.49 0.12 0.00 -0.02 0.00 0.00 56.01 56.59 4nll n LEU 44 Cb 0.53 -0.49 0.25 0.00 -1.62 0.00 0.00 43.42 42.09 4nll n LEU 44 CO 0.45 -0.32 0.45 0.59 -1.22 0.00 0.00 177.39 177.34 4nll n ASN 45 N -1.49 0.51 -4.77 -1.43 3.02 -1.18 -4.93 115.26 104.98 4nll n ASN 45 Ca 0.02 -0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.03 4nll n ASN 45 Cb 0.12 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 4nll n ASN 45 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 4nll s GLU 46 N -3.03 3.99 -0.00 3.52 0.41 -0.89 -4.98 118.70 117.71 4nll s GLU 46 Ca 0.10 1.80 -0.25 0.00 -0.41 0.00 0.00 54.97 56.22 4nll s GLU 46 Cb 0.17 -2.60 -0.18 0.00 -1.78 0.00 0.00 34.13 29.74 4nll s GLU 46 CO 0.70 -0.37 1.28 0.38 -0.49 0.00 0.00 175.26 176.76 4nll h ASP 47 N 2.48 -0.12 -3.79 -0.19 2.03 -1.92 -3.44 116.42 111.47 4nll h ASP 47 Ca -0.49 -0.33 -0.62 0.00 -0.73 0.00 0.00 57.03 54.86 4nll h ASP 47 Cb 1.24 0.03 -0.32 0.00 -0.83 0.00 0.00 39.33 39.45 4nll h ASP 47 CO 0.62 0.28 -0.86 -0.63 -1.03 0.00 0.00 179.24 177.62 4nll s ILE 48 N -4.54 1.72 -0.25 4.15 1.01 -1.26 -3.70 121.20 118.32 4nll s ILE 48 Ca -0.15 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 4nll s ILE 48 Cb 0.02 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 4nll s ILE 48 CO 0.62 0.48 0.12 -0.76 0.00 0.00 0.00 174.94 175.40 4nll s LEU 49 N 0.09 3.71 -0.31 2.97 1.43 -0.12 -4.44 118.68 122.01 4nll s LEU 49 Ca -0.07 -0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 4nll s LEU 49 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.09 4nll s LEU 49 CO 0.04 -0.01 0.11 -0.63 0.23 0.00 0.00 176.35 176.09 4nll s ILE 50 N 1.51 4.15 -0.04 -0.59 1.01 -1.19 -0.73 121.20 125.32 4nll s ILE 50 Ca 0.06 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.06 4nll s ILE 50 Cb -0.15 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 4nll s ILE 50 CO 0.06 0.00 -0.23 -0.76 0.00 0.00 0.00 174.94 174.02 4nll s LEU 51 N 1.52 2.03 0.01 2.97 1.43 -0.29 -1.20 118.68 125.15 4nll s LEU 51 Ca 0.02 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 4nll s LEU 51 Cb -0.18 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 4nll s LEU 51 CO 0.04 0.24 -0.03 -0.83 0.23 0.00 0.00 176.35 176.00 4nll s GLY 52 N -0.27 0.18 -0.28 -3.19 0.00 -0.34 -2.01 107.32 101.43 4nll s GLY 52 Ca 0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.20 4nll s GLY 52 CO 0.02 -0.33 0.79 0.00 0.00 0.00 0.00 173.10 173.58 4nll s SER 54 N 0.72 4.30 -0.19 0.00 1.04 -1.26 -4.35 113.70 113.97 4nll s SER 54 Ca -0.02 1.36 -0.29 0.00 0.48 0.00 0.00 55.95 57.48 4nll s SER 54 Cb -0.05 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.98 4nll s SER 54 CO -0.07 -2.10 1.06 0.00 0.98 0.00 0.00 173.24 173.12 4nll s ALA 55 N -3.10 3.61 0.48 5.32 0.00 -0.96 -4.35 121.76 122.77 4nll s ALA 55 Ca 0.61 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.91 4nll s ALA 55 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.44 4nll s ALA 55 CO 0.55 -0.95 0.35 -1.64 0.00 0.00 0.00 175.76 174.07 4nll s MET 56 N 2.92 2.33 0.03 0.00 -1.94 -0.18 -4.86 119.30 117.59 4nll s MET 56 Ca 0.47 -1.85 -0.19 0.00 -1.71 0.00 0.00 55.69 52.41 4nll s MET 56 Cb -0.17 -2.15 -0.06 0.00 2.01 0.00 0.00 34.83 34.46 4nll s MET 56 CO 0.10 -0.40 0.55 0.16 -0.01 0.00 0.00 175.02 175.43 4nll s ASP 57 N -4.16 6.99 -0.33 3.03 -4.77 -1.26 0.00 116.67 116.17 4nll s ASP 57 Ca 0.39 1.17 -0.05 0.00 -3.30 0.00 0.00 52.55 50.77 4nll s ASP 57 Cb -0.01 -2.34 0.04 0.00 -1.09 0.00 0.00 42.92 39.52 4nll s ASP 57 CO 0.23 0.22 0.08 -0.62 0.70 0.00 0.00 175.17 175.78 4nll s ASP 58 N -0.78 5.18 -1.18 2.11 2.15 -1.26 -4.65 116.67 118.24 4nll s ASP 58 Ca 0.29 -1.21 -0.02 0.00 0.43 0.00 0.00 52.55 52.04 4nll s ASP 58 Cb -0.19 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 4nll s ASP 58 CO 0.17 -0.31 1.00 -0.62 -0.17 0.00 0.00 175.17 175.24 4nll n GLU 59 N 4.75 -6.63 -4.36 4.34 -0.58 0.10 -4.98 120.64 113.27 4nll n GLU 59 Ca -0.12 0.81 -0.18 0.00 -0.42 0.00 0.00 57.16 57.24 4nll n GLU 59 Cb 0.44 -5.73 -0.10 0.00 -0.57 0.00 0.00 31.44 25.48 4nll n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 4nll s VAL 60 N -3.34 1.11 0.68 2.62 -7.23 -0.29 -3.92 120.40 110.03 4nll s VAL 60 Ca 0.12 -2.04 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 4nll s VAL 60 Cb -0.05 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.45 4nll s VAL 60 CO 0.70 -0.25 1.08 -0.76 -0.31 0.00 0.00 175.10 175.55 4nll s LEU 61 N -3.35 3.26 0.23 1.32 1.43 -1.26 -1.01 118.68 119.30 4nll s LEU 61 Ca 0.30 1.80 -0.31 0.00 -1.03 0.00 0.00 54.13 54.88 4nll s LEU 61 Cb 0.06 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.64 4nll s LEU 61 CO 0.10 -1.55 1.70 -0.70 0.23 0.00 0.00 176.35 176.13 4nll s GLU 62 N -4.56 4.12 0.09 1.70 -6.30 -1.26 -4.74 118.70 107.75 4nll s GLU 62 Ca 0.62 2.61 0.05 0.00 -2.50 0.00 0.00 54.97 55.75 4nll s GLU 62 Cb -0.17 -3.06 -0.23 0.00 0.00 0.00 0.00 34.13 30.68 4nll s GLU 62 CO 0.48 -0.73 1.18 0.93 0.02 0.00 0.00 175.26 177.13 4nll h GLU 63 N 6.31 0.06 0.02 4.30 5.08 -1.97 -0.29 114.58 128.09 4nll h GLU 63 Ca -0.44 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 57.58 4nll h GLU 63 Cb 1.21 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 4nll h GLU 63 CO 0.92 1.00 -1.18 0.66 -1.00 0.00 0.00 179.01 179.41 4nll h SER 64 N 0.02 0.05 0.00 1.42 4.64 -2.00 -3.40 113.55 114.27 4nll h SER 64 Ca -0.07 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 4nll h SER 64 Cb 1.84 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 4nll h SER 64 CO 0.14 1.05 -0.81 -0.62 -0.87 0.00 0.00 176.83 175.72 4nll n GLU 65 N -3.31 0.00 0.02 4.77 1.02 -1.26 -4.78 120.64 117.09 4nll n GLU 65 Ca -0.05 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 4nll n GLU 65 Cb 0.97 -0.41 -0.09 0.00 -0.02 0.00 0.00 31.44 31.89 4nll n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 4nll h PHE 66 N 0.00 -0.07 -0.43 -0.32 3.57 -1.84 -3.00 116.94 114.85 4nll h PHE 66 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 4nll h PHE 66 Cb 0.81 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 4nll h PHE 66 CO 0.00 0.35 0.20 1.49 -2.23 0.00 0.00 178.31 178.12 4nll h GLU 67 N -0.50 0.39 -0.83 1.11 4.81 -1.28 -1.50 114.58 116.79 4nll h GLU 67 Ca -0.01 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 4nll h GLU 67 Cb 0.44 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 4nll h GLU 67 CO 0.01 0.26 0.54 -1.35 -0.73 0.00 0.00 179.01 177.74 4nll h PRO 68 N 0.40 0.89 -0.23 0.92 0.11 -1.78 0.81 132.00 133.13 4nll h PRO 68 Ca 0.19 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 4nll h PRO 68 Cb 0.12 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 4nll h PRO 68 CO -0.15 0.59 0.13 0.35 -0.21 0.00 0.00 178.00 178.71 4nll h PHE 69 N 0.92 0.30 -0.66 0.65 3.57 -1.26 0.37 116.94 120.84 4nll h PHE 69 Ca 0.36 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 4nll h PHE 69 Cb 0.22 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 4nll h PHE 69 CO -0.00 0.25 0.32 0.82 -2.23 0.00 0.00 178.31 177.47 4nll h ILE 70 N 0.27 1.22 -0.60 1.41 1.08 -0.27 -2.15 117.51 118.46 4nll h ILE 70 Ca 0.08 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 4nll h ILE 70 Cb 0.04 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 4nll h ILE 70 CO -0.01 0.26 0.30 -0.33 -0.69 0.00 0.00 178.15 177.68 4nll h GLU 71 N 0.92 0.86 -0.55 2.37 4.39 -0.63 -1.08 114.58 120.86 4nll h GLU 71 Ca 0.23 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 4nll h GLU 71 Cb 0.12 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 4nll h GLU 71 CO -0.03 0.69 0.27 1.49 -1.16 0.00 0.00 179.01 180.27 4nll h GLU 72 N 0.82 0.79 0.00 2.33 4.81 -0.53 -3.06 114.58 119.74 4nll h GLU 72 Ca 0.21 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 4nll h GLU 72 Cb 0.10 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.34 4nll h GLU 72 CO -0.03 0.64 -0.30 0.44 -0.73 0.00 0.00 179.01 179.03 4nll n ILE 73 N -4.58 0.26 -0.33 2.32 -5.35 -0.84 -4.36 119.36 106.48 4nll n ILE 73 Ca 0.03 -0.16 0.21 0.00 -0.27 0.00 0.00 62.75 62.56 4nll n ILE 73 Cb 0.11 -0.25 0.47 0.00 -1.74 0.00 0.00 39.64 38.23 4nll n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 4nll h SER 74 N 0.00 0.52 0.17 7.28 4.64 -1.09 -0.47 113.55 124.61 4nll h SER 74 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 4nll h SER 74 Cb 0.64 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 4nll h SER 74 CO 0.00 0.11 -0.10 0.35 -0.87 0.00 0.00 176.83 176.32 4nll n THR 75 N -4.69 0.00 -0.03 2.95 -2.24 -1.26 -3.98 114.28 105.03 4nll n THR 75 Ca 0.25 -0.12 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 4nll n THR 75 Cb 0.82 0.14 0.05 0.00 -2.10 0.00 0.00 70.33 69.24 4nll n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 4nll n LYS 76 N -0.55 2.46 -0.08 -0.78 5.02 -0.20 -4.72 118.16 119.30 4nll n LYS 76 Ca 0.17 -1.54 0.05 0.00 -2.02 0.00 0.00 58.31 54.96 4nll n LYS 76 Cb 0.30 -1.09 0.09 0.00 -0.02 0.00 0.00 35.03 34.31 4nll n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 4nll n ILE 77 N -0.11 1.45 -1.74 -0.18 -5.35 -1.15 -5.01 119.36 107.28 4nll n ILE 77 Ca 0.04 -1.56 -0.42 0.00 -0.27 0.00 0.00 62.75 60.54 4nll n ILE 77 Cb 0.28 0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 38.31 4nll n ILE 77 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 4nll n SER 78 N -0.77 3.74 0.00 7.28 2.88 -1.26 -1.73 113.62 123.76 4nll n SER 78 Ca 0.09 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 4nll n SER 78 Cb 0.47 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 4nll n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4nll n GLY 79 N 2.15 2.59 3.81 0.46 0.00 0.63 -4.94 105.19 109.88 4nll n GLY 79 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 4nll n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4nll s LYS 80 N -0.15 4.23 0.04 1.61 1.02 -0.71 -4.67 119.74 121.12 4nll s LYS 80 Ca 0.00 1.19 -0.23 0.00 0.02 0.00 0.00 55.97 56.95 4nll s LYS 80 Cb 0.00 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.98 4nll s LYS 80 CO 0.00 -0.03 0.68 0.15 -0.92 0.00 0.00 175.35 175.23 4nll s LYS 81 N -3.01 4.40 0.04 1.68 1.02 -1.24 -0.40 119.74 122.23 4nll s LYS 81 Ca 0.61 0.91 0.02 0.00 0.02 0.00 0.00 55.97 57.53 4nll s LYS 81 Cb -0.11 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 4nll s LYS 81 CO 0.16 0.39 -0.06 0.14 -0.92 0.00 0.00 175.35 175.06 4nll s VAL 82 N -0.37 0.43 -0.05 3.17 -7.23 -0.44 -0.95 120.40 114.96 4nll s VAL 82 Ca 0.34 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 4nll s VAL 82 Cb -0.20 -0.55 0.01 0.00 0.56 0.00 0.00 36.38 36.20 4nll s VAL 82 CO 0.21 -0.43 -0.13 0.00 -0.31 0.00 0.00 175.10 174.44 4nll s ALA 83 N -1.47 1.28 0.08 1.32 0.00 0.09 -1.71 121.76 121.36 4nll s ALA 83 Ca -0.11 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.45 4nll s ALA 83 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 4nll s ALA 83 CO -0.00 0.17 -0.17 -0.51 0.00 0.00 0.00 175.76 175.25 4nll s LEU 84 N 0.41 2.71 0.19 0.00 1.43 -1.26 -1.14 118.68 121.02 4nll s LEU 84 Ca -0.10 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 4nll s LEU 84 Cb -0.13 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.54 4nll s LEU 84 CO 0.03 0.21 0.51 0.72 0.23 0.00 0.00 176.35 178.06 4nll s PHE 85 N -1.06 -0.11 0.00 0.29 -0.71 -0.85 -1.31 117.98 114.23 4nll s PHE 85 Ca 0.17 -0.23 0.00 0.00 -1.04 0.00 0.00 56.93 55.83 4nll s PHE 85 Cb -0.11 0.38 0.00 0.00 -1.21 0.00 0.00 43.02 42.08 4nll s PHE 85 CO 0.08 -0.90 0.00 0.41 -1.34 0.00 0.00 175.22 173.47 4nll n GLY 86 N -0.33 1.47 3.81 1.99 0.00 -0.57 -2.24 105.19 109.31 4nll n GLY 86 Ca -0.10 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 4nll n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4nll s SER 87 N 0.00 5.74 0.23 1.61 0.15 -1.26 -2.25 113.70 117.92 4nll s SER 87 Ca 0.00 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 4nll s SER 87 Cb 0.00 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.68 4nll s SER 87 CO 0.00 0.16 0.19 -0.72 1.20 0.00 0.00 173.24 174.07 4nll s TYR 88 N -1.45 1.18 0.00 3.44 1.13 -0.44 -2.27 117.35 118.94 4nll s TYR 88 Ca 0.31 -1.36 0.00 0.00 -1.41 0.00 0.00 57.07 54.60 4nll s TYR 88 Cb -0.12 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.23 4nll s TYR 88 CO 0.24 -0.72 0.00 0.41 -2.51 0.00 0.00 175.55 172.97 4nll n GLY 89 N -0.34 0.14 0.12 5.49 0.00 -1.26 -0.68 105.19 108.66 4nll n GLY 89 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 4nll n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 4nll n TRP 90 N -0.62 0.00 -0.83 1.61 2.14 -1.26 -4.80 117.44 113.67 4nll n TRP 90 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 4nll n TRP 90 Cb 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 31.31 30.44 4nll n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 4nll n GLY 91 N 1.47 -0.66 0.16 -1.67 0.00 -1.26 -5.02 105.19 98.22 4nll n GLY 91 Ca 0.06 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.47 4nll n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4nll n ASP 92 N -1.82 2.09 0.00 1.61 5.68 -1.26 -4.97 116.55 117.89 4nll n ASP 92 Ca 0.00 -3.07 0.00 0.00 -0.50 0.00 0.00 54.79 51.22 4nll n ASP 92 Cb 0.00 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 4nll n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4nll n GLY 93 N -1.28 0.90 0.27 6.12 0.00 -1.26 -4.99 105.19 104.96 4nll n GLY 93 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.18 4nll n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 4nll h LYS 94 N 3.18 0.58 -0.36 1.61 1.63 -1.93 -0.62 116.57 120.66 4nll h LYS 94 Ca 0.00 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 4nll h LYS 94 Cb 0.00 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 4nll h LYS 94 CO 0.00 0.39 0.24 0.11 -3.45 0.00 0.00 179.45 176.74 4nll h TRP 95 N 0.60 0.40 0.05 1.91 0.09 -1.94 -1.67 115.95 115.39 4nll h TRP 95 Ca 0.37 0.01 -0.26 0.00 0.09 0.00 0.00 58.89 59.10 4nll h TRP 95 Cb 0.41 -0.13 0.01 0.00 0.08 0.00 0.00 29.16 29.53 4nll h TRP 95 CO -0.11 0.24 -1.09 1.98 0.09 0.00 0.00 178.44 179.55 4nll h MET 96 N 0.42 0.51 -0.75 0.12 4.05 -1.47 -0.69 114.93 117.12 4nll h MET 96 Ca 0.14 -0.62 0.01 0.00 -0.28 0.00 0.00 59.70 58.95 4nll h MET 96 Cb 0.06 0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 4nll h MET 96 CO -0.03 1.24 0.49 0.00 0.23 0.00 0.00 176.91 178.84 4nll h ARG 97 N 0.25 0.99 -0.53 0.39 3.08 -0.80 0.75 114.38 118.52 4nll h ARG 97 Ca -0.13 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.74 4nll h ARG 97 Cb 1.76 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 4nll h ARG 97 CO 0.20 0.67 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.20 4nll h ASP 98 N 1.02 1.02 -0.46 7.04 3.32 -1.28 -1.18 116.42 125.91 4nll h ASP 98 Ca 0.27 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 4nll h ASP 98 Cb -0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 4nll h ASP 98 CO -0.06 1.15 0.27 0.15 -1.72 0.00 0.00 179.24 179.03 4nll h PHE 99 N 0.89 0.62 -0.51 4.55 3.57 -0.50 -0.11 116.94 125.45 4nll h PHE 99 Ca 0.13 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 4nll h PHE 99 Cb 0.70 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 4nll h PHE 99 CO 0.05 0.45 0.17 1.49 -2.23 0.00 0.00 178.31 178.24 4nll h GLU 100 N 0.61 0.79 -0.75 1.11 4.81 -0.72 -1.57 114.58 118.85 4nll h GLU 100 Ca 0.16 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 4nll h GLU 100 Cb 0.02 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 4nll h GLU 100 CO -0.03 0.72 0.46 1.49 -0.73 0.00 0.00 179.01 180.93 4nll h GLU 101 N 0.69 1.02 -0.11 1.92 4.81 -0.95 -1.89 114.58 120.07 4nll h GLU 101 Ca 0.17 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 4nll h GLU 101 Cb 0.26 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 4nll h GLU 101 CO -0.01 0.72 0.07 -0.09 -0.73 0.00 0.00 179.01 178.97 4nll h ARG 102 N 1.03 0.15 -0.63 1.92 2.43 -0.65 -0.21 114.38 118.42 4nll h ARG 102 Ca 0.27 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 4nll h ARG 102 Cb -0.05 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 4nll h ARG 102 CO -0.05 0.13 0.17 0.52 -1.51 0.00 0.00 179.97 179.22 4nll h MET 103 N 0.13 0.98 -0.46 0.20 2.86 -1.16 -1.51 114.93 115.97 4nll h MET 103 Ca 0.04 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 4nll h MET 103 Cb 0.01 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 4nll h MET 103 CO -0.01 0.86 -0.04 -0.91 1.06 0.00 0.00 176.91 177.88 4nll h ASN 104 N 0.94 0.77 0.12 1.22 2.35 -1.15 -1.62 115.58 118.22 4nll h ASN 104 Ca 0.20 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 4nll h ASN 104 Cb 0.32 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 4nll h ASN 104 CO -0.00 0.86 -0.10 1.23 -1.65 0.00 0.00 177.43 177.77 4nll h GLY 105 N 0.97 0.00 0.86 2.83 0.00 -0.04 -0.23 103.07 107.45 4nll h GLY 105 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 4nll h GLY 105 CO 0.03 0.00 -0.02 -1.72 0.00 0.00 0.00 176.54 174.83 4nll n TYR 106 N -4.27 0.00 -0.26 5.60 4.01 -0.80 -4.89 117.16 116.55 4nll n TYR 106 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 4nll n TYR 106 Cb 0.18 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 4nll n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4nll n GLY 107 N 1.12 0.86 3.84 2.72 0.00 -0.10 -4.03 105.19 109.60 4nll n GLY 107 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 4nll n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4nll s VAL 109 N -2.45 4.63 -0.64 0.00 1.01 0.47 -4.32 120.40 119.10 4nll s VAL 109 Ca 0.58 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 4nll s VAL 109 Cb -0.10 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.82 4nll s VAL 109 CO 0.27 -0.12 1.20 -0.69 0.00 0.00 0.00 175.10 175.75 4nll s VAL 110 N 1.58 3.95 0.39 2.92 1.01 -1.26 -1.32 120.40 127.66 4nll s VAL 110 Ca 0.03 0.64 0.13 0.00 0.00 0.00 0.00 61.98 62.78 4nll s VAL 110 Cb -0.18 -4.78 0.11 0.00 0.00 0.00 0.00 36.38 31.53 4nll s VAL 110 CO 0.07 -1.52 1.86 -0.37 0.00 0.00 0.00 175.10 175.14 4nll h VAL 111 N 6.10 1.24 -4.27 2.92 -1.51 -1.71 -3.46 116.25 115.56 4nll h VAL 111 Ca -0.26 -1.15 -0.27 0.00 -1.23 0.00 0.00 66.70 63.79 4nll h VAL 111 Cb 1.06 1.62 -0.15 0.00 -2.13 0.00 0.00 31.29 31.69 4nll h VAL 111 CO 1.21 0.33 -0.63 -1.61 -1.23 0.00 0.00 177.57 175.65 4nll s GLU 112 N -4.28 1.22 0.19 5.19 0.41 -1.26 -5.11 118.70 115.06 4nll s GLU 112 Ca -0.03 -1.64 -0.31 0.00 -0.41 0.00 0.00 54.97 52.59 4nll s GLU 112 Cb 0.15 0.07 -0.09 0.00 -1.78 0.00 0.00 34.13 32.47 4nll s GLU 112 CO 0.72 -0.33 1.44 0.99 -0.49 0.00 0.00 175.26 177.59 4nll s THR 113 N -3.99 2.90 0.40 3.63 2.01 -1.26 -4.78 115.64 114.54 4nll s THR 113 Ca 0.36 0.69 -0.27 0.00 0.31 0.00 0.00 61.69 62.78 4nll s THR 113 Cb 0.07 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 4nll s THR 113 CO 0.11 0.08 1.43 -2.65 -0.69 0.00 0.00 174.62 172.90 4nll n PRO 114 N 3.18 2.45 -3.25 4.92 -0.02 -1.26 -4.86 135.00 136.15 4nll n PRO 114 Ca 0.10 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 62.03 4nll n PRO 114 Cb 0.41 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.21 4nll n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 4nll s LEU 115 N -2.06 4.16 -0.03 2.45 2.96 -0.43 -4.97 118.68 120.77 4nll s LEU 115 Ca 0.56 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.81 4nll s LEU 115 Cb -0.48 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 4nll s LEU 115 CO 0.62 -0.36 -0.21 0.27 -1.32 0.00 0.00 176.35 175.35 4nll s ILE 116 N 2.33 1.68 0.01 6.68 -4.36 -1.26 -1.51 121.20 124.77 4nll s ILE 116 Ca 0.20 -0.89 0.03 0.00 -0.26 0.00 0.00 60.65 59.72 4nll s ILE 116 Cb -0.16 -1.41 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 4nll s ILE 116 CO 0.11 0.48 -0.09 -0.69 0.24 0.00 0.00 174.94 174.98 4nll s VAL 117 N -0.32 0.71 -0.14 8.37 1.01 -0.95 -5.00 120.40 124.07 4nll s VAL 117 Ca 0.04 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 4nll s VAL 117 Cb -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 4nll s VAL 117 CO 0.01 0.10 0.86 -1.58 0.00 0.00 0.00 175.10 174.48 4nll s GLN 118 N -0.49 4.34 3.99 2.72 0.74 -1.26 -1.32 119.66 128.38 4nll s GLN 118 Ca 0.02 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.51 4nll s GLN 118 Cb -0.05 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.51 4nll s GLN 118 CO -0.00 -0.28 0.00 0.09 -0.55 0.00 0.00 175.29 174.55 4nll n ASN 119 N 5.01 0.00 -4.77 6.67 3.02 0.14 -4.65 115.26 120.68 4nll n ASN 119 Ca 0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 4nll n ASN 119 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 4nll n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 4nll s GLU 120 N 0.00 4.27 0.01 3.52 2.12 -1.26 -4.73 118.70 122.63 4nll s GLU 120 Ca 0.00 1.83 -0.04 0.00 0.36 0.00 0.00 54.97 57.11 4nll s GLU 120 Cb 0.00 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 4nll s GLU 120 CO 0.00 -0.13 1.07 -1.35 -0.54 0.00 0.00 175.26 174.31 4nll h PRO 121 N 3.04 -0.08 0.00 4.30 0.11 -1.82 -3.43 132.00 134.12 4nll h PRO 121 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 4nll h PRO 121 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 4nll h PRO 121 CO 0.64 -0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 4nll n ASP 122 N -2.87 0.00 0.27 -2.05 8.00 -1.26 -0.64 116.55 117.99 4nll n ASP 122 Ca -0.01 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 4nll n ASP 122 Cb 0.05 0.00 0.73 0.00 -0.02 0.00 0.00 41.12 41.88 4nll n ASP 122 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 4nll h GLU 123 N 0.00 0.00 -0.64 -1.24 9.09 -1.99 -2.28 114.58 117.52 4nll h GLU 123 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 4nll h GLU 123 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 4nll h GLU 123 CO 0.00 0.11 0.00 0.00 0.05 0.00 0.00 179.01 179.17 4nll n ALA 124 N -2.24 3.22 -0.10 1.06 0.00 0.18 -4.60 120.51 118.02 4nll n ALA 124 Ca -0.01 -1.41 -0.06 0.00 0.00 0.00 0.00 53.44 51.96 4nll n ALA 124 Cb 0.25 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.67 4nll n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 4nll h GLU 125 N 3.43 0.16 -0.47 0.00 5.08 -1.58 -1.74 114.58 119.46 4nll h GLU 125 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 4nll h GLU 125 Cb 1.42 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 4nll h GLU 125 CO 0.27 0.10 0.11 0.37 -1.00 0.00 0.00 179.01 178.86 4nll h GLN 126 N 0.16 0.71 -0.65 2.33 5.75 -1.85 -1.67 115.11 119.89 4nll h GLN 126 Ca 0.17 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 4nll h GLN 126 Cb 0.21 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 4nll h GLN 126 CO -0.25 0.65 0.37 -0.44 -2.65 0.00 0.00 178.83 176.51 4nll h ASP 127 N 0.69 0.55 -0.15 -0.69 3.32 -1.66 0.23 116.42 118.70 4nll h ASP 127 Ca 0.15 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 4nll h ASP 127 Cb 0.26 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 4nll h ASP 127 CO -0.00 0.37 0.07 0.00 -1.72 0.00 0.00 179.24 177.95 4nll h ILE 129 N 0.11 0.93 -0.21 0.00 2.04 -0.79 -2.04 117.51 117.56 4nll h ILE 129 Ca 0.05 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 4nll h ILE 129 Cb 0.15 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 4nll h ILE 129 CO -0.01 0.06 -0.01 -0.33 0.00 0.00 0.00 178.15 177.86 4nll h GLU 130 N 0.30 0.30 -0.63 2.37 4.39 -0.47 -0.97 114.58 119.87 4nll h GLU 130 Ca 0.16 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 4nll h GLU 130 Cb 0.11 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 4nll h GLU 130 CO -0.14 0.34 0.08 0.35 -1.16 0.00 0.00 179.01 178.48 4nll h PHE 131 N 0.30 1.14 -0.70 4.33 3.57 -0.63 -0.16 116.94 124.79 4nll h PHE 131 Ca 0.07 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 4nll h PHE 131 Cb 0.22 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 4nll h PHE 131 CO 0.00 0.97 0.19 0.78 -2.23 0.00 0.00 178.31 178.03 4nll h GLY 132 N 0.98 1.18 1.64 2.40 0.00 -0.55 -2.25 103.07 106.46 4nll h GLY 132 Ca 0.19 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 4nll h GLY 132 CO 0.02 0.66 -0.18 0.50 0.00 0.00 0.00 176.54 177.53 4nll h LYS 133 N 1.04 0.43 -0.43 4.80 1.57 -0.65 -1.69 116.57 121.64 4nll h LYS 133 Ca 0.22 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 4nll h LYS 133 Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 4nll h LYS 133 CO -0.00 0.60 0.10 0.87 -0.57 0.00 0.00 179.45 180.45 4nll h LYS 134 N 0.39 0.69 -0.40 3.15 1.57 -0.62 -2.46 116.57 118.89 4nll h LYS 134 Ca 0.07 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 4nll h LYS 134 Cb 0.55 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 4nll h LYS 134 CO 0.04 0.70 -0.06 0.82 -0.57 0.00 0.00 179.45 180.37 4nll h ILE 135 N 0.56 1.24 0.00 1.86 2.04 -1.08 -1.71 117.51 120.42 4nll h ILE 135 Ca 0.13 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.96 4nll h ILE 135 Cb 0.32 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 4nll h ILE 135 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.51 4nll h ALA 136 N 1.30 1.00 -0.25 1.87 0.00 -1.11 -2.51 119.26 119.56 4nll h ALA 136 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 4nll h ALA 136 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 4nll h ALA 136 CO 0.03 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.57 4nll n ASN 137 N -2.67 1.89 -0.04 0.00 5.15 -0.65 -5.09 115.26 113.85 4nll n ASN 137 Ca 0.01 -1.83 0.16 0.00 -0.60 0.00 0.00 54.58 52.33 4nll n ASN 137 Cb 0.27 -0.17 0.92 0.00 -0.53 0.00 0.00 39.78 40.27 4nll n ASN 137 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28