#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cll h THR 5 N 0.00 0.80 -0.87 0.00 1.35 -2.05 -0.16 112.91 111.98 1cll h THR 5 Ca 0.00 -0.01 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 1cll h THR 5 Cb 0.00 0.78 -0.16 0.00 -1.73 0.00 0.00 68.15 67.04 1cll h THR 5 CO 0.00 0.00 -0.27 -0.08 -0.25 0.00 0.00 175.52 174.92 1cll h GLU 6 N 0.02 -0.02 -0.08 4.72 4.81 -2.05 1.39 114.58 123.37 1cll h GLU 6 Ca 0.10 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1cll h GLU 6 Cb 0.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1cll h GLU 6 CO -0.21 -0.01 -0.48 1.49 -0.73 0.00 0.00 179.01 179.08 1cll h GLU 7 N -0.02 0.21 0.18 1.92 4.81 -1.89 -2.60 114.58 117.19 1cll h GLU 7 Ca 0.39 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1cll h GLU 7 Cb 0.63 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1cll h GLU 7 CO -0.90 0.64 -0.08 1.96 -0.73 0.00 0.00 179.01 179.90 1cll h GLN 8 N 0.17 -0.23 -0.98 1.92 4.20 0.26 -2.82 115.11 117.63 1cll h GLN 8 Ca 0.01 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1cll h GLN 8 Cb 0.91 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.68 1cll h GLN 8 CO 0.07 0.09 0.64 -0.84 -0.67 0.00 0.00 178.83 178.12 1cll h ILE 9 N -0.56 1.13 -0.73 2.54 3.07 0.14 -1.81 117.51 121.29 1cll h ILE 9 Ca -0.02 -0.41 0.12 0.00 1.55 0.00 0.00 64.86 66.09 1cll h ILE 9 Cb 0.42 -0.17 -0.08 0.00 -0.27 0.00 0.00 36.82 36.72 1cll h ILE 9 CO 0.04 0.22 0.33 0.00 -1.05 0.00 0.00 178.15 177.69 1cll h ALA 10 N 1.44 1.03 -0.13 0.16 0.00 -1.33 0.13 119.26 120.56 1cll h ALA 10 Ca 0.40 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 1cll h ALA 10 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1cll h ALA 10 CO -0.14 -0.13 -0.41 0.93 0.00 0.00 0.00 179.25 179.49 1cll h GLU 11 N 0.52 0.30 -0.06 0.00 5.08 -1.09 -1.87 114.58 117.45 1cll h GLU 11 Ca 0.38 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.41 1cll h GLU 11 Cb 0.51 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1cll h GLU 11 CO -0.34 0.66 -0.77 0.74 -1.00 0.00 0.00 179.01 178.31 1cll h PHE 12 N 0.25 0.56 -0.51 4.33 0.04 -0.85 -2.59 116.94 118.16 1cll h PHE 12 Ca 0.02 -0.26 -0.10 0.00 2.80 0.00 0.00 57.97 60.44 1cll h PHE 12 Cb 0.84 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 1cll h PHE 12 CO 0.02 1.03 -0.06 -0.22 -0.60 0.00 0.00 178.31 178.48 1cll h LYS 13 N 0.27 0.91 -0.32 1.51 3.64 -0.59 -1.58 116.57 120.41 1cll h LYS 13 Ca -0.04 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1cll h LYS 13 Cb 1.36 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1cll h LYS 13 CO 0.13 0.94 0.14 0.93 -2.27 0.00 0.00 179.45 179.32 1cll h GLU 14 N 0.83 0.47 -0.44 1.90 5.08 -1.28 -0.60 114.58 120.54 1cll h GLU 14 Ca 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1cll h GLU 14 Cb 0.58 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1cll h GLU 14 CO 0.03 0.47 0.20 0.00 -1.00 0.00 0.00 179.01 178.71 1cll h ALA 15 N 0.98 0.57 -0.29 3.43 0.00 -1.17 -3.01 119.26 119.77 1cll h ALA 15 Ca 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1cll h ALA 15 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1cll h ALA 15 CO -0.01 0.14 0.13 0.35 0.00 0.00 0.00 179.25 179.86 1cll h PHE 16 N 0.57 0.24 -0.25 0.00 3.57 -1.15 -2.44 116.94 117.47 1cll h PHE 16 Ca 0.15 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1cll h PHE 16 Cb 0.14 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1cll h PHE 16 CO -0.01 0.13 0.20 0.77 -2.23 0.00 0.00 178.31 177.17 1cll h SER 17 N 0.28 0.00 -0.26 0.41 0.02 -0.97 -0.04 113.55 112.99 1cll h SER 17 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1cll h SER 17 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1cll h SER 17 CO -0.10 0.00 0.06 0.25 -1.14 0.00 0.00 176.83 175.91 1cll h LEU 18 N 0.00 0.46 0.17 5.07 5.85 -1.41 -3.14 115.31 122.32 1cll h LEU 18 Ca 0.12 -0.07 -0.34 0.00 0.84 0.00 0.00 57.88 58.43 1cll h LEU 18 Cb 0.51 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1cll h LEU 18 CO -0.00 0.49 -1.73 -0.26 -0.34 0.00 0.00 178.44 176.59 1cll h PHE 19 N 0.50 0.65 -0.36 1.25 0.04 -1.13 -3.40 116.94 114.48 1cll h PHE 19 Ca 0.12 -0.48 -0.64 0.00 2.80 0.00 0.00 57.97 59.77 1cll h PHE 19 Cb 0.22 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1cll h PHE 19 CO 0.01 1.63 2.42 -3.47 -0.60 0.00 0.00 178.31 178.30 1cll n ASP 20 N -3.55 3.94 -0.35 2.17 2.03 -0.60 -4.60 116.55 115.58 1cll n ASP 20 Ca -0.24 -2.83 0.10 0.00 0.52 0.00 0.00 54.79 52.35 1cll n ASP 20 Cb 1.07 -1.62 0.27 0.00 -0.72 0.00 0.00 41.12 40.12 1cll n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cll h LYS 21 N 7.31 0.81 -0.42 -0.67 1.79 -1.79 -1.64 116.57 121.96 1cll h LYS 21 Ca 0.46 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1cll h LYS 21 Cb 0.76 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1cll h LYS 21 CO 1.66 0.54 0.00 -0.40 -1.08 0.00 0.00 179.45 180.17 1cll n ASP 22 N -4.73 3.51 -2.44 0.86 5.75 -1.26 -5.00 116.55 113.24 1cll n ASP 22 Ca 0.21 -1.99 -0.20 0.00 -0.01 0.00 0.00 54.79 52.79 1cll n ASP 22 Cb 0.47 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1cll n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cll n GLY 23 N 1.50 -0.45 0.27 6.12 0.00 -0.62 -4.91 105.19 107.10 1cll n GLY 23 Ca 0.20 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1cll n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cll n ASP 24 N -1.94 1.00 0.00 1.61 5.75 -1.26 -4.92 116.55 116.79 1cll n ASP 24 Ca -0.20 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 1cll n ASP 24 Cb 0.66 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 1cll n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cll n GLY 25 N 1.28 0.87 3.11 6.12 0.00 -1.26 -5.06 105.19 110.25 1cll n GLY 25 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1cll n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cll s THR 26 N -2.05 0.11 -0.18 2.61 -4.23 -1.26 -3.98 115.64 106.66 1cll s THR 26 Ca 0.00 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1cll s THR 26 Cb 0.00 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.15 1cll s THR 26 CO 0.00 -0.49 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.90 1cll s ILE 27 N -2.03 3.49 0.46 2.99 1.01 0.23 -4.71 121.20 122.64 1cll s ILE 27 Ca -0.10 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1cll s ILE 27 Cb -0.04 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1cll s ILE 27 CO -0.02 0.46 0.50 -0.89 0.00 0.00 0.00 174.94 175.00 1cll s THR 28 N 0.90 2.51 0.29 2.92 2.01 -1.26 -1.18 115.64 121.83 1cll s THR 28 Ca -0.01 -1.22 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 1cll s THR 28 Cb -0.15 -2.73 0.27 0.00 0.01 0.00 0.00 72.50 69.90 1cll s THR 28 CO 0.01 0.00 1.93 0.71 -0.69 0.00 0.00 174.62 176.58 1cll h THR 29 N 0.74 1.16 -0.34 -0.82 1.35 -1.92 -1.42 112.91 111.65 1cll h THR 29 Ca -0.38 -0.39 -0.13 0.00 -0.55 0.00 0.00 66.41 64.95 1cll h THR 29 Cb 1.28 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1cll h THR 29 CO 0.51 0.21 -0.32 0.11 -0.25 0.00 0.00 175.52 175.78 1cll h LYS 30 N 1.14 0.75 -0.10 4.72 6.56 -1.98 -0.57 116.57 127.09 1cll h LYS 30 Ca 0.36 -0.35 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1cll h LYS 30 Cb 0.01 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1cll h LYS 30 CO -0.11 0.97 -0.14 0.93 -2.06 0.00 0.00 179.45 179.04 1cll h GLU 31 N 0.63 0.28 -1.00 3.15 5.08 -1.75 -1.67 114.58 119.30 1cll h GLU 31 Ca 0.07 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1cll h GLU 31 Cb 0.85 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 1cll h GLU 31 CO 0.07 0.72 0.64 1.25 -1.00 0.00 0.00 179.01 180.70 1cll h LEU 32 N -0.14 0.98 -0.16 1.33 5.85 -1.25 -1.25 115.31 120.66 1cll h LEU 32 Ca 0.01 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1cll h LEU 32 Cb 0.69 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1cll h LEU 32 CO 0.03 0.57 0.08 1.23 -0.34 0.00 0.00 178.44 180.02 1cll h GLY 33 N 1.08 0.22 1.59 3.75 0.00 -0.86 -1.79 103.07 107.06 1cll h GLY 33 Ca 0.47 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.64 1cll h GLY 33 CO -0.22 0.05 -0.23 0.00 0.00 0.00 0.00 176.54 176.14 1cll h THR 34 N 0.18 1.26 -0.09 4.70 1.03 -0.61 -1.55 112.91 117.82 1cll h THR 34 Ca 0.07 -1.22 -0.01 0.00 -0.01 0.00 0.00 66.41 65.24 1cll h THR 34 Cb 0.01 1.31 -0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1cll h THR 34 CO -0.04 0.39 0.03 0.58 -0.01 0.00 0.00 175.52 176.47 1cll h VAL 35 N 0.43 1.16 -0.41 0.00 2.07 -0.84 -2.51 116.25 116.14 1cll h VAL 35 Ca 0.07 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1cll h VAL 35 Cb 0.64 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1cll h VAL 35 CO 0.05 0.14 0.25 0.24 0.02 0.00 0.00 177.57 178.26 1cll h MET 36 N -0.03 0.48 0.00 1.57 2.86 -1.13 -2.38 114.93 116.31 1cll h MET 36 Ca 0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1cll h MET 36 Cb 0.19 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1cll h MET 36 CO -0.00 0.32 -0.01 0.00 1.06 0.00 0.00 176.91 178.28 1cll h ARG 37 N 0.50 0.00 0.00 1.72 3.08 -0.36 0.18 114.38 119.50 1cll h ARG 37 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1cll h ARG 37 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1cll h ARG 37 CO -0.07 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 177.71 1cll n SER 38 N -4.45 0.56 -0.73 7.04 3.41 -0.91 -2.47 113.62 116.07 1cll n SER 38 Ca -0.03 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1cll n SER 38 Cb 0.10 -0.72 0.31 0.00 -0.26 0.00 0.00 64.21 63.63 1cll n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cll n LEU 39 N -2.05 2.28 0.00 1.04 4.77 0.62 -4.93 117.00 118.72 1cll n LEU 39 Ca 0.05 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1cll n LEU 39 Cb 0.34 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1cll n LEU 39 CO 0.26 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1cll n GLY 40 N 1.27 0.66 3.14 -0.72 0.00 -1.03 -5.06 105.19 103.45 1cll n GLY 40 Ca 0.16 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1cll n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cll s GLN 41 N -0.92 2.81 -0.72 1.61 0.74 -1.04 -5.02 119.66 117.11 1cll s GLN 41 Ca 0.00 -0.77 0.03 0.00 0.05 0.00 0.00 55.36 54.66 1cll s GLN 41 Cb 0.00 -2.31 0.18 0.00 1.10 0.00 0.00 33.01 31.98 1cll s GLN 41 CO 0.00 -0.05 0.53 -0.80 -0.55 0.00 0.00 175.29 174.42 1cll s ASN 42 N 0.91 5.08 0.75 6.67 -0.87 -1.26 -1.68 114.94 124.55 1cll s ASN 42 Ca -0.06 -3.65 -0.12 0.00 -1.57 0.00 0.00 52.86 47.47 1cll s ASN 42 Cb -0.15 -1.72 0.05 0.00 -0.02 0.00 0.00 41.25 39.40 1cll s ASN 42 CO -0.03 -0.15 1.10 -2.16 -2.57 0.00 0.00 177.10 173.30 1cll s PRO 43 N -1.18 2.32 0.54 -0.60 0.04 -1.26 -5.04 135.00 129.82 1cll s PRO 43 Ca 0.24 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 1cll s PRO 43 Cb -0.09 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1cll s PRO 43 CO -0.12 -1.60 0.80 0.95 0.04 0.00 0.00 177.00 177.06 1cll s THR 44 N -2.71 3.58 0.28 1.26 -4.23 -1.26 -4.90 115.64 107.66 1cll s THR 44 Ca 0.63 -0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1cll s THR 44 Cb -0.19 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.55 1cll s THR 44 CO 0.52 -0.33 1.90 -0.08 -0.54 0.00 0.00 174.62 176.09 1cll h GLU 45 N 0.05 1.10 -0.49 3.99 4.57 -1.98 -0.26 114.58 121.56 1cll h GLU 45 Ca -0.45 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 57.70 1cll h GLU 45 Cb 1.26 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 1cll h GLU 45 CO 0.58 0.73 0.25 0.00 -1.18 0.00 0.00 179.01 179.39 1cll h ALA 46 N 1.47 0.62 -0.37 2.92 0.00 -2.00 0.10 119.26 122.02 1cll h ALA 46 Ca 0.41 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 1cll h ALA 46 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1cll h ALA 46 CO -0.15 -0.09 -0.27 0.93 0.00 0.00 0.00 179.25 179.67 1cll h GLU 47 N 0.50 0.76 -0.76 0.00 5.08 -1.77 -2.34 114.58 116.04 1cll h GLU 47 Ca 0.21 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1cll h GLU 47 Cb 0.11 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1cll h GLU 47 CO -0.14 0.94 0.32 -0.07 -1.00 0.00 0.00 179.01 179.06 1cll h LEU 48 N 0.65 1.04 -0.57 1.33 4.07 -0.17 -2.21 115.31 119.45 1cll h LEU 48 Ca 0.08 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 1cll h LEU 48 Cb 0.79 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1cll h LEU 48 CO 0.07 0.92 0.06 -0.61 -1.08 0.00 0.00 178.44 177.79 1cll h GLN 49 N 1.10 0.98 -0.86 1.13 5.75 -0.58 -2.58 115.11 120.05 1cll h GLN 49 Ca 0.26 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1cll h GLN 49 Cb 0.19 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 1cll h GLN 49 CO -0.02 0.95 0.42 -0.44 -2.65 0.00 0.00 178.83 177.08 1cll h ASP 50 N 0.87 1.11 -0.35 -0.69 3.32 -1.15 0.64 116.42 120.16 1cll h ASP 50 Ca 0.17 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1cll h ASP 50 Cb 0.47 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1cll h ASP 50 CO 0.02 0.93 0.22 0.24 -1.72 0.00 0.00 179.24 178.93 1cll h MET 51 N 1.22 0.47 -0.39 3.56 2.86 -1.17 -1.96 114.93 119.52 1cll h MET 51 Ca 0.30 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1cll h MET 51 Cb 0.10 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1cll h MET 51 CO -0.04 0.34 -0.21 0.82 1.06 0.00 0.00 176.91 178.88 1cll h ILE 52 N 0.47 1.28 -0.56 -1.22 2.04 -1.16 -3.15 117.51 115.21 1cll h ILE 52 Ca 0.13 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.73 1cll h ILE 52 Cb -0.02 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1cll h ILE 52 CO -0.03 0.45 0.15 0.78 0.00 0.00 0.00 178.15 179.51 1cll h ASN 53 N 0.63 0.08 -0.36 1.72 -0.26 -0.69 0.24 115.58 116.95 1cll h ASN 53 Ca 0.08 0.09 0.07 0.00 -0.56 0.00 0.00 56.30 55.98 1cll h ASN 53 Cb 0.77 0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 38.12 1cll h ASN 53 CO 0.06 0.06 0.25 -0.08 -1.06 0.00 0.00 177.43 176.66 1cll h GLU 54 N 0.30 0.18 0.00 0.81 4.81 -1.32 -3.10 114.58 116.27 1cll h GLU 54 Ca 0.28 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1cll h GLU 54 Cb 0.38 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1cll h GLU 54 CO -0.33 0.12 -1.93 1.33 -0.73 0.00 0.00 179.01 177.46 1cll n VAL 55 N -4.47 0.07 -2.58 0.32 0.24 -0.58 -4.87 118.33 106.46 1cll n VAL 55 Ca 0.05 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.46 1cll n VAL 55 Cb 0.30 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1cll n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cll s ASP 56 N -4.36 6.46 0.29 -1.34 2.15 0.75 -4.84 116.67 115.79 1cll s ASP 56 Ca -0.07 -1.34 0.00 0.00 0.43 0.00 0.00 52.55 51.57 1cll s ASP 56 Cb 0.12 -2.56 0.43 0.00 -0.30 0.00 0.00 42.92 40.62 1cll s ASP 56 CO 0.83 -1.53 1.81 0.00 -0.17 0.00 0.00 175.17 176.11 1cll h ALA 57 N 9.78 1.21 -0.20 3.66 0.00 -1.89 -3.17 119.26 128.65 1cll h ALA 57 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cll h ALA 57 Cb 1.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1cll h ALA 57 CO 1.39 0.52 0.00 -0.40 0.00 0.00 0.00 179.25 180.76 1cll n ASP 58 N -4.25 2.48 -2.45 0.00 5.75 -1.26 -4.97 116.55 111.85 1cll n ASP 58 Ca 0.03 -1.83 -0.15 0.00 -0.01 0.00 0.00 54.79 52.82 1cll n ASP 58 Cb 0.27 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 1cll n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cll n GLY 59 N 1.30 -0.50 0.10 6.12 0.00 -1.20 -4.87 105.19 106.14 1cll n GLY 59 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1cll n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cll n ASN 60 N -1.89 0.39 0.00 1.61 6.94 -1.26 -4.94 115.26 116.12 1cll n ASN 60 Ca -0.18 -0.57 0.00 0.00 -0.02 0.00 0.00 54.58 53.81 1cll n ASN 60 Cb 0.64 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1cll n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cll n GLY 61 N 1.25 0.75 3.17 4.83 0.00 -1.26 -5.04 105.19 108.89 1cll n GLY 61 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1cll n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cll s THR 62 N -2.55 0.22 -0.13 2.61 -4.23 -1.26 -4.74 115.64 105.56 1cll s THR 62 Ca 0.00 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1cll s THR 62 Cb 0.00 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1cll s THR 62 CO 0.00 -0.43 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.08 1cll s ILE 63 N -3.97 3.72 0.49 2.99 1.10 -0.33 -4.83 121.20 120.36 1cll s ILE 63 Ca 0.25 -0.44 0.09 0.00 -0.51 0.00 0.00 60.65 60.04 1cll s ILE 63 Cb 0.07 -2.59 0.04 0.00 0.15 0.00 0.00 42.46 40.13 1cll s ILE 63 CO 0.03 0.53 0.63 1.51 -2.11 0.00 0.00 174.94 175.53 1cll s ASP 64 N 0.03 5.34 0.10 4.50 1.47 -1.26 0.76 116.67 127.60 1cll s ASP 64 Ca -0.01 -0.66 -0.25 0.00 1.18 0.00 0.00 52.55 52.81 1cll s ASP 64 Cb -0.14 -0.22 -0.11 0.00 -0.34 0.00 0.00 42.92 42.11 1cll s ASP 64 CO 0.03 -0.99 1.68 0.15 0.68 0.00 0.00 175.17 176.71 1cll h PHE 65 N 0.50 -0.41 -0.91 2.11 3.57 -2.00 -2.05 116.94 117.75 1cll h PHE 65 Ca -0.36 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.29 1cll h PHE 65 Cb 1.28 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 40.10 1cll h PHE 65 CO 0.45 -0.24 0.51 -1.35 -2.23 0.00 0.00 178.31 175.46 1cll h PRO 66 N -0.32 0.72 -0.31 6.41 0.11 -1.97 0.44 132.00 137.08 1cll h PRO 66 Ca 0.02 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1cll h PRO 66 Cb 0.33 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1cll h PRO 66 CO -0.07 0.47 -0.07 0.93 -0.21 0.00 0.00 178.00 179.06 1cll h GLU 67 N 0.74 0.59 -0.40 1.05 5.08 -1.87 -2.28 114.58 117.48 1cll h GLU 67 Ca 0.49 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1cll h GLU 67 Cb 0.65 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1cll h GLU 67 CO -0.34 0.77 0.24 0.35 -1.00 0.00 0.00 179.01 179.03 1cll h PHE 68 N 0.36 0.54 0.37 4.33 3.04 -0.81 -2.46 116.94 122.31 1cll h PHE 68 Ca 0.08 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 1cll h PHE 68 Cb 0.55 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 1cll h PHE 68 CO 0.05 0.39 -0.35 1.25 -2.02 0.00 0.00 178.31 177.63 1cll h LEU 69 N 0.53 -0.93 -1.05 0.59 7.12 -0.86 0.13 115.31 120.84 1cll h LEU 69 Ca 0.14 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.27 1cll h LEU 69 Cb 0.01 0.31 -0.06 0.00 -0.53 0.00 0.00 40.66 40.39 1cll h LEU 69 CO -0.03 -0.49 0.64 0.71 -0.13 0.00 0.00 178.44 179.14 1cll h THR 70 N -0.74 1.17 -0.21 1.05 1.35 -1.37 -0.49 112.91 113.68 1cll h THR 70 Ca -0.03 -0.42 -0.17 0.00 -0.55 0.00 0.00 66.41 65.23 1cll h THR 70 Cb 0.66 -0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 1cll h THR 70 CO -0.05 0.23 -0.55 -0.03 -0.25 0.00 0.00 175.52 174.87 1cll h MET 71 N 1.24 0.75 -0.66 4.72 1.85 -1.26 -2.73 114.93 118.84 1cll h MET 71 Ca 0.39 -0.52 0.04 0.00 -0.61 0.00 0.00 59.70 58.99 1cll h MET 71 Cb -0.00 0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.06 1cll h MET 71 CO -0.12 1.14 0.40 1.98 -0.40 0.00 0.00 176.91 179.91 1cll h MET 72 N 0.48 0.74 0.69 0.39 -1.53 -0.31 0.75 114.93 116.14 1cll h MET 72 Ca -0.01 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.17 1cll h MET 72 Cb 1.17 -0.17 0.01 0.00 -0.55 0.00 0.00 31.60 32.06 1cll h MET 72 CO 0.12 0.49 -0.33 0.00 0.14 0.00 0.00 176.91 177.33 1cll h ALA 73 N 1.30 -1.21 -0.99 0.39 0.00 -1.11 -0.39 119.26 117.25 1cll h ALA 73 Ca 0.27 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1cll h ALA 73 Cb 0.07 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1cll h ALA 73 CO -0.13 -1.14 0.62 0.00 0.00 0.00 0.00 179.25 178.60 1cll h ARG 74 N -0.95 0.58 -0.47 0.00 3.08 -1.33 0.27 114.38 115.57 1cll h ARG 74 Ca -0.09 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 1cll h ARG 74 Cb 0.71 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1cll h ARG 74 CO 0.15 0.38 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.17 1cll h LYS 75 N 0.60 0.86 0.49 0.04 1.63 -0.67 -2.91 116.57 116.61 1cll h LYS 75 Ca 0.56 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 1cll h LYS 75 Cb 1.10 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1cll h LYS 75 CO -0.31 0.93 -0.42 0.52 -3.45 0.00 0.00 179.45 176.72 1cll h MET 76 N 0.70 -0.85 -0.98 1.90 2.86 0.13 -1.20 114.93 117.49 1cll h MET 76 Ca 0.13 0.06 0.27 0.00 -2.06 0.00 0.00 59.70 58.10 1cll h MET 76 Cb 0.57 0.19 -0.18 0.00 0.06 0.00 0.00 31.60 32.24 1cll h MET 76 CO 0.03 -0.57 0.05 0.87 1.06 0.00 0.00 176.91 178.35 1cll h LYS 77 N -0.89 0.01 -0.33 1.72 1.79 -1.35 0.24 116.57 117.77 1cll h LYS 77 Ca -0.06 -0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 1cll h LYS 77 Cb 0.75 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 1cll h LYS 77 CO -0.01 0.01 -0.33 -0.44 -1.08 0.00 0.00 179.45 177.60 1cll h ASP 78 N 0.01 0.76 0.47 0.86 5.19 -1.27 -2.52 116.42 119.92 1cll h ASP 78 Ca 0.60 -0.31 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1cll h ASP 78 Cb 1.26 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1cll h ASP 78 CO -0.91 1.02 -0.28 0.74 -3.12 0.00 0.00 179.24 176.70 1cll h THR 79 N 0.61 0.93 -0.02 0.35 2.02 0.68 -2.31 112.91 115.18 1cll h THR 79 Ca 0.07 -1.04 -0.22 0.00 0.77 0.00 0.00 66.41 65.98 1cll h THR 79 Cb 0.85 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1cll h THR 79 CO 0.07 0.27 -0.89 0.44 0.37 0.00 0.00 175.52 175.78 1cll h ASP 80 N 0.00 0.56 0.89 4.18 3.32 -1.08 -3.01 116.42 121.29 1cll h ASP 80 Ca -0.00 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1cll h ASP 80 Cb 0.59 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1cll h ASP 80 CO 0.04 1.22 -0.43 0.28 -1.72 0.00 0.00 179.24 178.62 1cll h SER 81 N 0.26 -1.01 -0.72 6.45 0.02 -1.00 -2.81 113.55 114.75 1cll h SER 81 Ca -0.07 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.08 1cll h SER 81 Cb 1.52 0.26 -0.12 0.00 0.14 0.00 0.00 62.40 64.20 1cll h SER 81 CO 0.16 -0.67 0.04 -0.08 -1.14 0.00 0.00 176.83 175.14 1cll h GLU 82 N -1.31 0.13 0.00 3.45 4.57 -1.55 -0.61 114.58 119.27 1cll h GLU 82 Ca -0.12 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1cll h GLU 82 Cb 0.92 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1cll h GLU 82 CO 0.20 0.09 -0.16 0.93 -1.18 0.00 0.00 179.01 178.89 1cll h GLU 83 N 0.14 0.00 -0.03 1.92 5.08 -1.56 -0.47 114.58 119.65 1cll h GLU 83 Ca 0.40 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.67 1cll h GLU 83 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1cll h GLU 83 CO -0.60 0.16 -0.29 0.93 -1.00 0.00 0.00 179.01 178.20 1cll h GLU 84 N 0.00 0.26 -0.51 2.33 5.08 -0.85 -1.75 114.58 119.15 1cll h GLU 84 Ca -0.00 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1cll h GLU 84 Cb 0.69 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1cll h GLU 84 CO 0.02 0.91 -0.10 0.82 -1.00 0.00 0.00 179.01 179.66 1cll h ILE 85 N -0.31 1.26 -0.31 3.13 2.04 -1.30 -1.94 117.51 120.09 1cll h ILE 85 Ca -0.03 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.53 1cll h ILE 85 Cb 0.98 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1cll h ILE 85 CO 0.06 0.43 -0.13 0.03 0.00 0.00 0.00 178.15 178.54 1cll h ARG 86 N 0.84 0.54 0.25 2.37 3.08 -1.13 -1.37 114.38 118.96 1cll h ARG 86 Ca 0.14 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1cll h ARG 86 Cb 0.64 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1cll h ARG 86 CO 0.04 0.66 -0.12 0.93 -1.07 0.00 0.00 179.97 180.41 1cll h GLU 87 N 0.49 -0.33 0.00 0.04 5.08 -0.89 -2.57 114.58 116.40 1cll h GLU 87 Ca 0.09 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1cll h GLU 87 Cb 0.52 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1cll h GLU 87 CO 0.03 -0.08 -0.04 0.00 -1.00 0.00 0.00 179.01 177.92 1cll h ALA 88 N 0.15 1.42 -0.22 3.43 0.00 -1.21 -1.61 119.26 121.21 1cll h ALA 88 Ca -0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1cll h ALA 88 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1cll h ALA 88 CO 0.06 0.04 -0.64 0.35 0.00 0.00 0.00 179.25 179.06 1cll h PHE 89 N 0.00 1.02 -0.47 0.00 3.57 -0.96 -2.91 116.94 117.18 1cll h PHE 89 Ca -0.00 -0.40 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 1cll h PHE 89 Cb 0.10 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1cll h PHE 89 CO 0.00 1.22 0.13 -0.09 -2.23 0.00 0.00 178.31 177.34 1cll h ARG 90 N 0.58 0.70 -0.28 1.11 2.43 -0.91 0.16 114.38 118.17 1cll h ARG 90 Ca -0.01 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.89 1cll h ARG 90 Cb 1.25 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1cll h ARG 90 CO 0.13 0.63 -0.39 -0.24 -1.51 0.00 0.00 179.97 178.59 1cll h VAL 91 N 0.69 1.29 -0.13 0.20 3.04 -1.41 -3.19 116.25 116.74 1cll h VAL 91 Ca 0.16 -1.56 -0.14 0.00 -1.01 0.00 0.00 66.70 64.15 1cll h VAL 91 Cb 0.23 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1cll h VAL 91 CO -0.01 0.50 -0.46 -0.26 -1.01 0.00 0.00 177.57 176.33 1cll h PHE 92 N 0.55 0.71 -0.19 3.17 -1.00 -1.27 -3.36 116.94 115.56 1cll h PHE 92 Ca 0.05 -0.30 -0.68 0.00 2.81 0.00 0.00 57.97 59.85 1cll h PHE 92 Cb 0.92 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.33 1cll h PHE 92 CO 0.04 1.06 2.78 -3.47 -1.61 0.00 0.00 178.31 177.12 1cll n ASP 93 N -4.25 3.89 -0.23 2.17 2.03 0.01 -4.66 116.55 115.51 1cll n ASP 93 Ca -0.07 -2.83 0.31 0.00 0.52 0.00 0.00 54.79 52.71 1cll n ASP 93 Cb 0.58 -1.61 0.72 0.00 -0.72 0.00 0.00 41.12 40.09 1cll n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1cll h LYS 94 N 6.67 0.02 -0.32 -0.67 3.64 -1.75 -0.40 116.57 123.77 1cll h LYS 94 Ca 0.52 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1cll h LYS 94 Cb 0.70 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1cll h LYS 94 CO 1.79 0.01 0.00 -0.40 -2.27 0.00 0.00 179.45 178.58 1cll n ASP 95 N -4.25 3.65 -4.00 4.20 5.68 -1.26 -4.99 116.55 115.57 1cll n ASP 95 Ca 0.21 -2.63 -0.29 0.00 -0.50 0.00 0.00 54.79 51.58 1cll n ASP 95 Cb 1.06 -0.44 -0.06 0.00 -1.14 0.00 0.00 41.12 40.54 1cll n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cll n GLY 96 N -0.04 -0.23 0.11 6.12 0.00 -0.16 -4.80 105.19 106.19 1cll n GLY 96 Ca 0.18 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1cll n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cll n ASN 97 N -2.15 1.12 0.00 1.61 6.94 -1.26 -4.95 115.26 116.57 1cll n ASN 97 Ca -0.23 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 1cll n ASN 97 Cb 0.55 0.72 0.00 0.00 -2.36 0.00 0.00 39.78 38.68 1cll n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cll n GLY 98 N 1.47 0.90 3.20 4.83 0.00 -1.26 -5.08 105.19 109.25 1cll n GLY 98 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1cll n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cll s TYR 99 N -2.02 -0.29 -0.31 1.61 1.51 -1.26 -4.34 117.35 112.25 1cll s TYR 99 Ca 0.00 0.67 -0.20 0.00 -1.01 0.00 0.00 57.07 56.54 1cll s TYR 99 Cb 0.00 0.10 -0.01 0.00 -0.11 0.00 0.00 41.96 41.94 1cll s TYR 99 CO 0.00 -0.21 0.59 0.42 -1.11 0.00 0.00 175.55 175.25 1cll s ILE 100 N -0.18 4.96 0.71 2.71 1.01 0.16 -4.85 121.20 125.73 1cll s ILE 100 Ca -0.03 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 1cll s ILE 100 Cb -0.03 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.55 1cll s ILE 100 CO 0.01 -0.14 1.00 -0.94 0.00 0.00 0.00 174.94 174.88 1cll s SER 101 N 1.66 4.60 0.08 3.58 1.04 -1.26 -1.32 113.70 122.09 1cll s SER 101 Ca 0.23 0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.62 1cll s SER 101 Cb -0.15 -0.72 -0.11 0.00 0.10 0.00 0.00 66.02 65.13 1cll s SER 101 CO 0.12 -1.70 1.64 0.00 0.98 0.00 0.00 173.24 174.27 1cll h ALA 102 N -0.58 0.17 -0.97 5.32 0.00 -1.95 -0.88 119.26 120.38 1cll h ALA 102 Ca -0.42 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1cll h ALA 102 Cb 1.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1cll h ALA 102 CO 0.52 -0.25 0.64 0.00 0.00 0.00 0.00 179.25 180.15 1cll h ALA 103 N 0.92 1.29 -0.04 0.00 0.00 -1.99 0.12 119.26 119.57 1cll h ALA 103 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1cll h ALA 103 Cb 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1cll h ALA 103 CO -0.00 0.51 -0.02 0.93 0.00 0.00 0.00 179.25 180.67 1cll h GLU 104 N 1.22 0.08 -0.76 0.00 5.08 -1.85 -1.97 114.58 116.37 1cll h GLU 104 Ca 0.39 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1cll h GLU 104 Cb 0.01 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1cll h GLU 104 CO -0.13 0.47 0.49 1.25 -1.00 0.00 0.00 179.01 180.10 1cll h LEU 105 N -0.32 0.83 -0.91 1.33 5.85 -0.90 -2.05 115.31 119.14 1cll h LEU 105 Ca 0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1cll h LEU 105 Cb 0.45 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1cll h LEU 105 CO 0.01 0.58 0.10 -0.09 -0.34 0.00 0.00 178.44 178.70 1cll h ARG 106 N 0.98 0.91 -0.01 1.25 2.43 -0.67 -1.66 114.38 117.60 1cll h ARG 106 Ca 0.30 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1cll h ARG 106 Cb -0.03 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1cll h ARG 106 CO -0.09 0.84 -0.00 1.25 -1.51 0.00 0.00 179.97 180.45 1cll h HIS 107 N 0.86 0.02 -0.30 2.20 2.76 -1.05 -2.38 115.15 117.27 1cll h HIS 107 Ca 0.18 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1cll h HIS 107 Cb 0.37 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1cll h HIS 107 CO 0.02 0.43 0.04 -0.39 -1.30 0.00 0.00 177.93 176.74 1cll h VAL 108 N -0.39 1.16 -0.56 5.26 -1.51 -1.28 -2.05 116.25 116.88 1cll h VAL 108 Ca 0.00 -0.59 -0.04 0.00 -1.23 0.00 0.00 66.70 64.84 1cll h VAL 108 Cb 0.43 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 30.45 1cll h VAL 108 CO 0.00 0.20 0.17 -0.03 -1.23 0.00 0.00 177.57 176.68 1cll h MET 109 N 0.43 0.84 -0.52 5.19 -1.53 -1.23 -1.16 114.93 116.94 1cll h MET 109 Ca 0.10 -0.16 -0.11 0.00 -3.44 0.00 0.00 59.70 56.09 1cll h MET 109 Cb 0.22 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.12 1cll h MET 109 CO 0.00 0.73 -0.12 1.79 0.14 0.00 0.00 176.91 179.46 1cll h THR 110 N 0.82 1.27 0.00 -0.77 1.35 -0.84 0.33 112.91 115.06 1cll h THR 110 Ca 0.18 -1.27 -0.01 0.00 -0.55 0.00 0.00 66.41 64.77 1cll h THR 110 Cb 0.25 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1cll h THR 110 CO -0.01 0.44 -0.06 0.78 -0.25 0.00 0.00 175.52 176.42 1cll h ASN 111 N 0.87 0.00 0.29 5.36 -0.26 -0.99 -1.28 115.58 119.58 1cll h ASN 111 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1cll h ASN 111 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1cll h ASN 111 CO 0.05 0.06 -0.23 0.18 -1.06 0.00 0.00 177.43 176.44 1cll n LEU 112 N -3.50 0.85 0.00 1.61 4.32 -0.51 -4.93 117.00 114.84 1cll n LEU 112 Ca -0.02 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1cll n LEU 112 Cb 0.19 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1cll n LEU 112 CO 0.27 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1cll n GLY 113 N 1.33 0.87 3.21 -0.72 0.00 -0.48 -5.07 105.19 104.34 1cll n GLY 113 Ca 0.12 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1cll n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cll s GLU 114 N -0.72 2.47 -0.60 1.61 0.41 0.02 -4.99 118.70 116.90 1cll s GLU 114 Ca 0.00 -1.28 -0.20 0.00 -0.41 0.00 0.00 54.97 53.08 1cll s GLU 114 Cb 0.00 -3.34 0.09 0.00 -1.78 0.00 0.00 34.13 29.10 1cll s GLU 114 CO 0.00 -0.68 0.77 0.15 -0.49 0.00 0.00 175.26 175.00 1cll s LYS 115 N 1.31 3.07 0.09 1.61 1.02 -1.26 -2.80 119.74 122.78 1cll s LYS 115 Ca -0.02 -1.15 0.02 0.00 0.02 0.00 0.00 55.97 54.84 1cll s LYS 115 Cb -0.20 -4.24 -0.04 0.00 -0.52 0.00 0.00 37.83 32.83 1cll s LYS 115 CO 0.00 -1.58 0.15 -0.51 -0.92 0.00 0.00 175.35 172.49 1cll s LEU 116 N 3.04 4.05 0.68 3.17 1.02 -1.26 -5.10 118.68 124.29 1cll s LEU 116 Ca 0.15 0.08 -0.06 0.00 0.02 0.00 0.00 54.13 54.32 1cll s LEU 116 Cb -0.22 -2.68 0.05 0.00 0.02 0.00 0.00 46.19 43.37 1cll s LEU 116 CO 0.08 0.14 0.99 0.42 0.02 0.00 0.00 176.35 178.00 1cll s THR 117 N -1.52 2.51 0.24 5.49 -4.23 -1.26 -4.90 115.64 111.96 1cll s THR 117 Ca 0.32 -0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1cll s THR 117 Cb -0.12 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.87 1cll s THR 117 CO 0.25 -0.08 1.89 0.44 -0.54 0.00 0.00 174.62 176.58 1cll h ASP 118 N -0.51 1.13 -0.73 3.99 3.32 -1.99 -2.02 116.42 119.60 1cll h ASP 118 Ca -0.44 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 1cll h ASP 118 Cb 1.31 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1cll h ASP 118 CO 0.60 0.87 0.39 -0.08 -1.72 0.00 0.00 179.24 179.30 1cll h GLU 119 N 1.30 1.02 -0.64 3.56 4.81 -1.99 0.40 114.58 123.04 1cll h GLU 119 Ca 0.34 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1cll h GLU 119 Cb -0.05 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1cll h GLU 119 CO -0.06 0.78 0.10 0.93 -0.73 0.00 0.00 179.01 180.02 1cll h GLU 120 N 1.01 1.06 -0.48 1.92 5.08 -1.85 -2.26 114.58 119.07 1cll h GLU 120 Ca 0.25 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1cll h GLU 120 Cb 0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1cll h GLU 120 CO -0.04 0.98 -0.20 0.28 -1.00 0.00 0.00 179.01 179.03 1cll h VAL 121 N 0.98 1.27 -0.87 3.13 2.07 -1.02 -2.71 116.25 119.09 1cll h VAL 121 Ca 0.19 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1cll h VAL 121 Cb 0.44 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1cll h VAL 121 CO 0.01 0.47 0.54 0.44 0.02 0.00 0.00 177.57 179.05 1cll h ASP 122 N 0.84 1.04 -0.31 0.57 3.32 -0.77 -1.05 116.42 120.05 1cll h ASP 122 Ca 0.11 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1cll h ASP 122 Cb 0.78 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1cll h ASP 122 CO 0.06 0.79 -0.17 -0.08 -1.72 0.00 0.00 179.24 178.12 1cll h GLU 123 N 1.20 0.76 -0.44 3.56 4.81 -1.28 -0.84 114.58 122.36 1cll h GLU 123 Ca 0.32 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1cll h GLU 123 Cb -0.07 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1cll h GLU 123 CO -0.06 0.88 0.02 0.52 -0.73 0.00 0.00 179.01 179.64 1cll h MET 124 N 0.68 0.76 0.05 1.92 2.86 -1.03 -2.47 114.93 117.70 1cll h MET 124 Ca 0.11 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1cll h MET 124 Cb 0.66 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1cll h MET 124 CO 0.05 0.82 -0.03 0.82 1.06 0.00 0.00 176.91 179.64 1cll h ILE 125 N 0.61 1.12 -0.76 -1.22 1.08 -1.00 -3.15 117.51 114.18 1cll h ILE 125 Ca 0.13 -0.57 0.14 0.00 -0.39 0.00 0.00 64.86 64.17 1cll h ILE 125 Cb 0.47 1.49 -0.09 0.00 -3.07 0.00 0.00 36.82 35.62 1cll h ILE 125 CO 0.02 0.14 0.31 0.03 -0.69 0.00 0.00 178.15 177.96 1cll h ARG 126 N -0.32 0.44 -0.24 2.37 3.08 -1.11 0.04 114.38 118.64 1cll h ARG 126 Ca -0.01 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1cll h ARG 126 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1cll h ARG 126 CO 0.01 0.29 0.17 1.49 -1.07 0.00 0.00 179.97 180.86 1cll h GLU 127 N 0.46 0.14 0.00 0.04 4.81 -1.40 -2.92 114.58 115.70 1cll h GLU 127 Ca 0.42 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1cll h GLU 127 Cb 0.62 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1cll h GLU 127 CO -0.40 0.09 -0.80 0.00 -0.73 0.00 0.00 179.01 177.17 1cll n ALA 128 N -2.55 4.02 -2.37 2.92 0.00 -0.46 -4.91 120.51 117.17 1cll n ALA 128 Ca 0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.64 1cll n ALA 128 Cb 0.22 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 1cll n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cll s ASP 129 N -2.57 5.96 0.09 0.00 2.15 -0.12 -4.80 116.67 117.38 1cll s ASP 129 Ca 0.06 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.10 1cll s ASP 129 Cb 0.12 -2.56 -0.25 0.00 -0.30 0.00 0.00 42.92 39.92 1cll s ASP 129 CO 0.66 -1.98 1.19 0.40 -0.17 0.00 0.00 175.17 175.27 1cll h ILE 130 N 6.83 1.58 -0.66 4.11 2.04 -1.89 -3.30 117.51 126.23 1cll h ILE 130 Ca 0.07 -3.21 0.00 0.00 1.00 0.00 0.00 64.86 62.72 1cll h ILE 130 Cb 1.03 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.01 1cll h ILE 130 CO 1.33 0.93 0.00 -0.90 0.00 0.00 0.00 178.15 179.51 1cll n ASP 131 N -3.46 3.57 -4.07 1.72 5.68 -1.26 -4.98 116.55 113.74 1cll n ASP 131 Ca -0.05 -2.01 -0.40 0.00 -0.50 0.00 0.00 54.79 51.82 1cll n ASP 131 Cb 0.99 -0.45 -0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1cll n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cll n GLY 132 N 1.54 -0.63 0.47 6.12 0.00 -1.24 -4.85 105.19 106.60 1cll n GLY 132 Ca 0.22 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.57 1cll n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cll n ASP 133 N -1.94 1.96 0.00 1.61 5.75 -1.26 -4.98 116.55 117.69 1cll n ASP 133 Ca -0.13 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 1cll n ASP 133 Cb 0.52 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1cll n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cll n GLY 134 N 0.71 0.68 3.38 6.12 0.00 -1.26 -5.03 105.19 109.79 1cll n GLY 134 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1cll n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cll s GLN 135 N -0.12 1.48 -0.17 1.61 -0.21 -1.26 -4.64 119.66 116.35 1cll s GLN 135 Ca 0.00 -1.78 -0.02 0.00 0.02 0.00 0.00 55.36 53.58 1cll s GLN 135 Cb 0.00 -0.68 -0.01 0.00 1.00 0.00 0.00 33.01 33.32 1cll s GLN 135 CO 0.00 -0.15 -0.10 0.14 -2.12 0.00 0.00 175.29 173.06 1cll s VAL 136 N -3.41 3.14 0.72 1.09 -7.23 -0.43 -4.74 120.40 109.55 1cll s VAL 136 Ca 0.33 -0.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1cll s VAL 136 Cb 0.07 -2.37 0.12 0.00 0.56 0.00 0.00 36.38 34.76 1cll s VAL 136 CO 0.12 0.48 1.00 0.54 -0.31 0.00 0.00 175.10 176.93 1cll s ASN 137 N 0.91 4.35 0.16 4.85 6.03 -1.26 -0.67 114.94 129.30 1cll s ASN 137 Ca -0.02 -0.30 -0.15 0.00 -1.03 0.00 0.00 52.86 51.36 1cll s ASN 137 Cb -0.15 -0.09 0.04 0.00 -3.03 0.00 0.00 41.25 38.03 1cll s ASN 137 CO 0.00 -1.86 1.79 0.22 -2.03 0.00 0.00 177.10 175.22 1cll h TYR 138 N -0.55 0.66 -0.24 1.54 3.20 -1.99 -0.92 116.97 118.66 1cll h TYR 138 Ca -0.37 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.54 1cll h TYR 138 Cb 1.27 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1cll h TYR 138 CO -0.20 0.47 -0.08 1.49 -1.64 0.00 0.00 178.16 178.20 1cll h GLU 139 N 0.66 -0.02 -0.27 1.82 4.81 -1.96 0.16 114.58 119.77 1cll h GLU 139 Ca 0.18 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1cll h GLU 139 Cb 0.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1cll h GLU 139 CO -0.03 -0.02 0.02 0.93 -0.73 0.00 0.00 179.01 179.18 1cll h GLU 140 N -0.02 0.40 -0.29 1.92 5.08 -1.81 -1.99 114.58 117.86 1cll h GLU 140 Ca 0.12 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1cll h GLU 140 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1cll h GLU 140 CO -0.26 0.41 -0.07 0.35 -1.00 0.00 0.00 179.01 178.44 1cll h PHE 141 N 0.39 0.63 -0.57 4.33 3.57 -0.09 -2.01 116.94 123.18 1cll h PHE 141 Ca 0.09 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 1cll h PHE 141 Cb 0.23 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1cll h PHE 141 CO 0.01 0.75 0.05 -0.39 -2.23 0.00 0.00 178.31 176.49 1cll h VAL 142 N 0.32 1.25 -0.63 1.41 -1.51 -0.39 0.15 116.25 116.86 1cll h VAL 142 Ca 0.07 -1.03 0.05 0.00 -1.23 0.00 0.00 66.70 64.56 1cll h VAL 142 Cb 0.55 0.76 -0.05 0.00 -2.13 0.00 0.00 31.29 30.42 1cll h VAL 142 CO 0.03 0.38 0.35 1.56 -1.23 0.00 0.00 177.57 178.66 1cll h GLN 143 N 0.89 0.64 -0.12 5.19 4.20 -1.21 0.17 115.11 124.87 1cll h GLN 143 Ca 0.17 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 1cll h GLN 143 Cb 0.46 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1cll h GLN 143 CO 0.02 0.43 -0.60 1.98 -0.67 0.00 0.00 178.83 179.99 1cll h MET 144 N 0.66 0.41 0.11 1.46 4.05 -0.93 -1.95 114.93 118.74 1cll h MET 144 Ca 0.27 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1cll h MET 144 Cb 0.14 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1cll h MET 144 CO -0.16 0.88 -0.05 0.52 0.23 0.00 0.00 176.91 178.33 1cll h MET 145 N 0.30 -0.14 0.80 0.39 2.86 0.13 -3.37 114.93 115.91 1cll h MET 145 Ca -0.00 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1cll h MET 145 Cb 1.13 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.82 1cll h MET 145 CO 0.10 -0.09 -0.39 1.79 1.06 0.00 0.00 176.91 179.39 1cll h THR 146 N -0.20 0.19 -0.00 2.22 1.35 -0.84 -3.51 112.91 112.12 1cll h THR 146 Ca -0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1cll h THR 146 Cb 0.11 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1cll h THR 146 CO 0.02 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.30