#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sct h ASP 2 N 0.00 0.86 -0.17 4.52 3.32 -1.98 0.98 116.42 123.95 1sct h ASP 2 Ca 0.00 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 56.58 1sct h ASP 2 Cb 0.00 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.32 1sct h ASP 2 CO 0.00 1.00 -0.61 0.00 -1.72 0.00 0.00 179.24 177.91 1sct h ALA 3 N 1.07 0.31 -0.40 3.45 0.00 -2.02 -1.18 119.26 120.49 1sct h ALA 3 Ca 0.12 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1sct h ALA 3 Cb 0.66 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1sct h ALA 3 CO 0.05 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.90 1sct h ALA 4 N 0.56 0.54 -0.26 0.00 0.00 -1.89 -0.55 119.26 117.67 1sct h ALA 4 Ca -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1sct h ALA 4 Cb 1.24 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1sct h ALA 4 CO 0.13 0.29 -0.02 0.28 0.00 0.00 0.00 179.25 179.93 1sct h VAL 5 N 0.53 0.79 -0.18 0.00 2.07 -0.79 -2.08 116.25 116.59 1sct h VAL 5 Ca 0.12 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1sct h VAL 5 Cb 0.43 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1sct h VAL 5 CO 0.01 0.01 -0.05 0.00 0.02 0.00 0.00 177.57 177.56 1sct h ALA 6 N 1.23 1.58 -0.39 1.67 0.00 -0.92 0.45 119.26 122.87 1sct h ALA 6 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1sct h ALA 6 Cb 0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1sct h ALA 6 CO -0.22 0.31 0.13 0.87 0.00 0.00 0.00 179.25 180.33 1sct h LYS 7 N 0.27 0.27 0.05 0.00 1.79 -0.41 0.14 116.57 118.68 1sct h LYS 7 Ca 0.06 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.33 1sct h LYS 7 Cb 0.27 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1sct h LYS 7 CO 0.01 0.18 -0.94 -0.24 -1.08 0.00 0.00 179.45 177.38 1sct h VAL 8 N 0.28 1.25 0.00 0.50 3.04 -1.03 -3.31 116.25 116.98 1sct h VAL 8 Ca 0.18 -2.34 -0.02 0.00 -1.01 0.00 0.00 66.70 63.52 1sct h VAL 8 Cb 0.18 2.81 -0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1sct h VAL 8 CO -0.20 0.57 -0.07 0.00 -1.01 0.00 0.00 177.57 176.86 1sct n GLY 10 N -0.45 -0.80 3.39 0.00 0.00 0.48 -4.76 105.19 103.05 1sct n GLY 10 Ca -0.01 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1sct n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sct s SER 11 N -2.49 5.16 0.41 1.61 0.15 -0.91 -4.95 113.70 112.69 1sct s SER 11 Ca 0.27 -0.53 0.14 0.00 0.70 0.00 0.00 55.95 56.52 1sct s SER 11 Cb 0.20 -1.91 0.87 0.00 -1.71 0.00 0.00 66.02 63.47 1sct s SER 11 CO 0.50 -0.14 1.91 -0.33 1.20 0.00 0.00 173.24 176.37 1sct h GLU 12 N 8.25 0.00 -0.11 5.44 5.08 -1.85 -2.42 114.58 128.97 1sct h GLU 12 Ca -0.34 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1sct h GLU 12 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1sct h GLU 12 CO 0.60 0.28 -0.29 0.00 -1.00 0.00 0.00 179.01 178.60 1sct h ALA 13 N 1.72 0.18 -0.40 3.43 0.00 -1.94 -0.89 119.26 121.37 1sct h ALA 13 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1sct h ALA 13 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1sct h ALA 13 CO 0.04 0.19 0.22 0.82 0.00 0.00 0.00 179.25 180.52 1sct h ILE 14 N -0.06 1.16 -0.50 0.00 2.04 -1.87 -1.22 117.51 117.06 1sct h ILE 14 Ca -0.01 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1sct h ILE 14 Cb 0.90 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1sct h ILE 14 CO 0.06 0.16 0.27 0.11 0.00 0.00 0.00 178.15 178.76 1sct h LYS 15 N 0.52 0.70 -0.49 2.37 1.57 -1.41 -0.53 116.57 119.29 1sct h LYS 15 Ca 0.14 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1sct h LYS 15 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1sct h LYS 15 CO -0.02 0.54 0.31 0.00 -0.57 0.00 0.00 179.45 179.71 1sct h ALA 16 N 1.11 0.63 -0.20 3.86 0.00 -1.09 -1.03 119.26 122.54 1sct h ALA 16 Ca 0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1sct h ALA 16 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sct h ALA 16 CO -0.03 0.10 -0.47 -0.91 0.00 0.00 0.00 179.25 177.94 1sct h ASN 17 N 0.66 0.55 -0.53 0.00 2.35 -0.95 -0.19 115.58 117.48 1sct h ASN 17 Ca 0.18 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1sct h ASN 17 Cb -0.03 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1sct h ASN 17 CO -0.03 0.94 0.04 -0.07 -1.65 0.00 0.00 177.43 176.66 1sct h LEU 18 N 0.41 0.88 -0.36 1.61 3.38 -0.98 -2.18 115.31 118.07 1sct h LEU 18 Ca 0.02 -0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 1sct h LEU 18 Cb 0.98 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1sct h LEU 18 CO 0.09 0.94 -0.41 0.03 0.09 0.00 0.00 178.44 179.18 1sct h ARG 19 N 0.78 0.92 -0.13 1.13 3.08 -0.96 0.29 114.38 119.50 1sct h ARG 19 Ca 0.16 -0.50 -0.18 0.00 0.07 0.00 0.00 59.98 59.52 1sct h ARG 19 Cb 0.47 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1sct h ARG 19 CO 0.02 1.16 -0.68 0.07 -1.07 0.00 0.00 179.97 179.46 1sct h ARG 20 N 0.73 0.53 -0.05 0.04 0.11 -1.04 0.47 114.38 115.18 1sct h ARG 20 Ca 0.05 -0.40 -0.22 0.00 0.10 0.00 0.00 59.98 59.50 1sct h ARG 20 Cb 1.01 0.07 0.01 0.00 1.11 0.00 0.00 29.97 32.17 1sct h ARG 20 CO 0.10 1.03 -0.88 0.66 0.10 0.00 0.00 179.97 180.97 1sct h SER 21 N 0.38 0.66 -0.92 0.08 4.64 -1.41 -2.80 113.55 114.19 1sct h SER 21 Ca -0.02 -0.49 0.09 0.00 -0.47 0.00 0.00 61.79 60.90 1sct h SER 21 Cb 1.26 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.08 1sct h SER 21 CO 0.13 1.28 0.57 -0.25 -0.87 0.00 0.00 176.83 177.68 1sct h TRP 22 N 0.33 1.03 -0.88 4.77 2.91 -0.82 -1.18 115.95 122.11 1sct h TRP 22 Ca -0.07 0.03 0.22 0.00 1.13 0.00 0.00 58.89 60.20 1sct h TRP 22 Cb 1.51 -0.33 -0.13 0.00 -0.51 0.00 0.00 29.16 29.70 1sct h TRP 22 CO 0.07 0.45 0.33 0.78 -1.03 0.00 0.00 178.44 179.04 1sct h GLY 23 N 0.95 1.45 0.19 2.65 0.00 -0.63 -0.91 103.07 106.78 1sct h GLY 23 Ca 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1sct h GLY 23 CO -0.23 -0.30 -0.00 -2.08 0.00 0.00 0.00 176.54 173.93 1sct h VAL 24 N 0.32 1.62 -0.97 4.60 2.07 -1.20 -3.33 116.25 119.37 1sct h VAL 24 Ca 0.55 -1.89 0.14 0.00 0.82 0.00 0.00 66.70 66.32 1sct h VAL 24 Cb 1.06 2.90 -0.08 0.00 -1.52 0.00 0.00 31.29 33.65 1sct h VAL 24 CO -0.57 0.49 0.61 -0.07 0.02 0.00 0.00 177.57 178.05 1sct h LEU 25 N -0.81 0.82 0.00 2.57 4.07 -0.80 -1.55 115.31 119.61 1sct h LEU 25 Ca -0.00 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1sct h LEU 25 Cb 0.80 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1sct h LEU 25 CO 0.00 0.41 0.00 -1.54 -1.08 0.00 0.00 178.44 176.23 1sct n SER 26 N -4.62 0.00 0.28 -0.43 3.41 -0.39 -1.94 113.62 109.95 1sct n SER 26 Ca 0.19 0.10 0.14 0.00 -0.26 0.00 0.00 58.87 59.04 1sct n SER 26 Cb 0.42 -0.31 0.84 0.00 -0.26 0.00 0.00 64.21 64.91 1sct n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sct h ALA 27 N 2.75 1.46 -1.83 7.33 0.00 -1.42 -3.35 119.26 124.19 1sct h ALA 27 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1sct h ALA 27 Cb 0.17 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.65 1sct h ALA 27 CO 0.00 0.05 -0.58 0.34 0.00 0.00 0.00 179.25 179.07 1sct s ASP 28 N -6.19 0.77 0.04 0.00 -1.08 -0.82 -5.04 116.67 104.36 1sct s ASP 28 Ca -0.04 -0.62 -0.22 0.00 -0.52 0.00 0.00 52.55 51.14 1sct s ASP 28 Cb 0.14 0.91 -0.15 0.00 -1.46 0.00 0.00 42.92 42.37 1sct s ASP 28 CO 0.56 -0.35 1.47 0.40 0.52 0.00 0.00 175.17 177.78 1sct h ILE 29 N 6.05 1.25 -0.00 4.11 1.08 -1.71 -2.34 117.51 125.94 1sct h ILE 29 Ca -0.08 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1sct h ILE 29 Cb 1.10 1.59 -0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1sct h ILE 29 CO 0.27 0.22 0.00 -0.08 -0.69 0.00 0.00 178.15 177.88 1sct h GLU 30 N -0.11 0.00 0.00 2.37 4.81 -1.93 -2.59 114.58 117.13 1sct h GLU 30 Ca 0.03 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1sct h GLU 30 Cb 0.34 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1sct h GLU 30 CO 0.00 0.08 -0.23 0.00 -0.73 0.00 0.00 179.01 178.14 1sct h ALA 31 N 0.92 1.54 -0.17 2.92 0.00 -1.96 -0.63 119.26 121.88 1sct h ALA 31 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1sct h ALA 31 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sct h ALA 31 CO -0.00 0.29 0.07 1.15 0.00 0.00 0.00 179.25 180.76 1sct h THR 32 N 0.00 1.15 0.05 0.00 2.02 -1.22 -0.45 112.91 114.45 1sct h THR 32 Ca -0.00 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1sct h THR 32 Cb 0.43 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1sct h THR 32 CO 0.03 0.14 -0.02 1.23 0.37 0.00 0.00 175.52 177.27 1sct h GLY 33 N 0.13 -0.06 0.97 2.16 0.00 -1.06 -0.12 103.07 105.09 1sct h GLY 33 Ca 0.06 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1sct h GLY 33 CO -0.01 -0.02 0.55 1.41 0.00 0.00 0.00 176.54 178.47 1sct h LEU 34 N -0.23 0.95 -0.81 3.11 -0.00 -1.04 -1.43 115.31 115.86 1sct h LEU 34 Ca -0.01 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.74 1sct h LEU 34 Cb 0.21 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 1sct h LEU 34 CO 0.01 0.68 -0.31 -0.03 -0.00 0.00 0.00 178.44 178.79 1sct h MET 35 N 1.12 0.54 -0.50 1.13 4.05 -1.00 -0.96 114.93 119.31 1sct h MET 35 Ca 0.32 -0.23 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1sct h MET 35 Cb -0.10 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1sct h MET 35 CO -0.08 0.78 0.21 1.25 0.23 0.00 0.00 176.91 179.30 1sct h LEU 36 N 0.46 0.68 -0.23 3.39 6.46 -0.37 -0.68 115.31 125.03 1sct h LEU 36 Ca 0.06 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 1sct h LEU 36 Cb 0.76 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1sct h LEU 36 CO 0.06 0.66 -0.03 0.24 -0.62 0.00 0.00 178.44 178.75 1sct h MET 37 N 0.67 0.42 -0.73 1.25 2.86 -1.12 -0.79 114.93 117.48 1sct h MET 37 Ca 0.17 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1sct h MET 37 Cb 0.18 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1sct h MET 37 CO -0.02 0.64 0.34 1.03 1.06 0.00 0.00 176.91 179.96 1sct h SER 38 N 0.17 0.97 0.56 1.22 0.87 -1.11 -1.27 113.55 114.95 1sct h SER 38 Ca 0.06 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1sct h SER 38 Cb 0.47 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1sct h SER 38 CO 0.02 0.84 -0.50 0.78 -0.53 0.00 0.00 176.83 177.44 1sct h ASN 39 N 1.03 0.00 -0.06 6.23 2.35 -0.90 -1.63 115.58 122.60 1sct h ASN 39 Ca 0.25 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1sct h ASN 39 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1sct h ASN 39 CO -0.03 0.50 0.02 0.25 -1.65 0.00 0.00 177.43 176.52 1sct h LEU 40 N 0.00 0.09 -0.69 1.61 5.85 -0.28 -1.81 115.31 120.07 1sct h LEU 40 Ca -0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1sct h LEU 40 Cb 0.91 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1sct h LEU 40 CO 0.06 0.24 -0.05 -0.26 -0.34 0.00 0.00 178.44 178.09 1sct h PHE 41 N -0.06 0.00 0.01 1.25 0.04 -0.98 -0.01 116.94 117.19 1sct h PHE 41 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1sct h PHE 41 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1sct h PHE 41 CO -0.02 0.05 -0.04 1.15 -0.60 0.00 0.00 178.31 178.86 1sct h THR 42 N 0.00 1.76 -0.26 -1.55 2.02 -1.19 -2.56 112.91 111.13 1sct h THR 42 Ca -0.00 -2.29 -0.19 0.00 0.77 0.00 0.00 66.41 64.70 1sct h THR 42 Cb 0.80 3.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.53 1sct h THR 42 CO 0.01 0.60 -0.59 -0.07 0.37 0.00 0.00 175.52 175.83 1sct h LEU 43 N -0.94 0.97 -6.20 2.58 3.38 -1.36 -3.36 115.31 110.39 1sct h LEU 43 Ca -0.01 -0.54 -0.59 0.00 0.09 0.00 0.00 57.88 56.83 1sct h LEU 43 Cb 1.00 -0.28 -0.41 0.00 0.09 0.00 0.00 40.66 41.06 1sct h LEU 43 CO 0.01 1.34 -0.74 0.54 0.09 0.00 0.00 178.44 179.69 1sct n ARG 44 N -3.99 1.95 0.31 1.13 5.12 -0.02 -4.93 116.66 116.22 1sct n ARG 44 Ca -0.05 -4.24 0.14 0.00 -1.93 0.00 0.00 57.85 51.77 1sct n ARG 44 Cb 0.65 -1.97 0.72 0.00 -1.16 0.00 0.00 32.46 30.70 1sct n ARG 44 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1sct h PRO 45 N 4.25 0.00 0.00 5.56 0.13 -1.60 -1.46 132.00 138.87 1sct h PRO 45 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1sct h PRO 45 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1sct h PRO 45 CO 0.72 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.87 1sct h ASP 46 N 0.00 0.00 0.65 1.44 2.03 -1.91 -2.94 116.42 115.69 1sct h ASP 46 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1sct h ASP 46 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1sct h ASP 46 CO -0.00 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.56 1sct n THR 47 N -2.84 0.68 0.26 1.15 -2.24 -0.55 -3.46 114.28 107.28 1sct n THR 47 Ca 0.04 0.17 0.15 0.00 -2.27 0.00 0.00 64.05 62.14 1sct n THR 47 Cb 0.50 -0.84 0.84 0.00 -2.10 0.00 0.00 70.33 68.73 1sct n THR 47 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sct h LYS 48 N 0.00 0.00 0.00 -0.78 1.57 -1.70 -2.20 116.57 113.45 1sct h LYS 48 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1sct h LYS 48 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1sct h LYS 48 CO 0.00 0.00 -0.10 1.79 -0.57 0.00 0.00 179.45 180.57 1sct h THR 49 N 0.00 0.48 0.00 -0.16 1.35 -1.82 -2.06 112.91 110.70 1sct h THR 49 Ca 0.03 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1sct h THR 49 Cb 0.15 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1sct h THR 49 CO -0.00 0.10 -0.01 1.88 -0.25 0.00 0.00 175.52 177.23 1sct h TYR 50 N 0.00 0.00 -1.44 4.73 0.05 -1.68 -3.33 116.97 115.30 1sct h TYR 50 Ca -0.00 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.09 1sct h TYR 50 Cb 0.31 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 37.74 1sct h TYR 50 CO 0.00 0.01 0.54 1.19 -1.05 0.00 0.00 178.16 178.85 1sct n PHE 51 N -3.10 3.10 -0.27 4.88 3.01 -0.77 -4.69 117.46 119.62 1sct n PHE 51 Ca 0.02 -2.67 -0.06 0.00 1.01 0.00 0.00 57.45 55.75 1sct n PHE 51 Cb 0.43 -1.03 0.06 0.00 -0.01 0.00 0.00 39.48 38.93 1sct n PHE 51 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1sct h THR 52 N 1.75 1.26 -0.41 4.37 1.35 -1.73 -2.86 112.91 116.65 1sct h THR 52 Ca 0.52 -0.89 0.05 0.00 -0.55 0.00 0.00 66.41 65.54 1sct h THR 52 Cb 0.59 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 1sct h THR 52 CO 1.34 0.35 0.28 -0.09 -0.25 0.00 0.00 175.52 177.14 1sct h ARG 53 N 1.11 0.35 0.00 4.72 2.43 -1.94 -2.76 114.38 118.30 1sct h ARG 53 Ca 0.25 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1sct h ARG 53 Cb 0.28 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1sct h ARG 53 CO -0.01 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 179.96 1sct n LEU 54 N -4.48 0.00 0.00 3.80 4.77 -1.08 -4.98 117.00 115.03 1sct n LEU 54 Ca 0.05 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1sct n LEU 54 Cb 0.21 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1sct n LEU 54 CO 0.35 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1sct n GLY 55 N 0.67 0.40 3.45 -0.72 0.00 -1.04 -4.31 105.19 103.64 1sct n GLY 55 Ca 0.10 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 1sct n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sct s ASP 56 N -4.00 6.63 0.00 1.61 -1.08 -1.26 -4.87 116.67 113.69 1sct s ASP 56 Ca 0.00 -2.05 0.05 0.00 -0.52 0.00 0.00 52.55 50.03 1sct s ASP 56 Cb 0.00 -2.40 0.23 0.00 -1.46 0.00 0.00 42.92 39.29 1sct s ASP 56 CO 0.00 -1.06 1.11 1.33 0.52 0.00 0.00 175.17 177.07 1sct n VAL 57 N 5.48 1.43 1.02 1.11 0.24 -1.26 -1.42 118.33 124.93 1sct n VAL 57 Ca 0.24 0.36 0.12 0.00 -2.04 0.00 0.00 64.34 63.02 1sct n VAL 57 Cb 0.49 -1.27 0.33 0.00 -1.47 0.00 0.00 33.84 31.92 1sct n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sct n GLN 58 N -1.43 0.06 0.06 7.34 1.13 -1.26 -3.56 117.38 119.72 1sct n GLN 58 Ca 0.02 -0.03 0.09 0.00 -1.94 0.00 0.00 57.00 55.14 1sct n GLN 58 Cb 0.05 -1.50 0.40 0.00 0.11 0.00 0.00 30.24 29.31 1sct n GLN 58 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sct n LYS 59 N -1.45 0.10 0.00 -1.09 5.02 -0.51 -4.99 118.16 115.25 1sct n LYS 59 Ca 0.06 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1sct n LYS 59 Cb 0.33 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1sct n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sct n GLY 60 N 0.03 2.41 0.37 0.72 0.00 -1.23 -2.89 105.19 104.61 1sct n GLY 60 Ca 0.03 -0.48 0.20 0.00 0.00 0.00 0.00 46.02 45.76 1sct n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sct h LYS 61 N 0.00 0.00 0.00 1.61 3.64 -1.94 0.08 116.57 119.96 1sct h LYS 61 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1sct h LYS 61 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sct h LYS 61 CO 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 179.45 176.88 1sct h ALA 62 N 1.55 1.23 -1.67 5.00 0.00 -1.96 -3.37 119.26 120.04 1sct h ALA 62 Ca 0.17 -0.27 -0.63 0.00 0.00 0.00 0.00 54.91 54.17 1sct h ALA 62 Cb 0.95 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 1sct h ALA 62 CO -0.00 0.37 0.58 1.21 0.00 0.00 0.00 179.25 181.41 1sct s ASN 63 N -6.55 6.22 0.45 0.00 3.84 0.02 -4.93 114.94 113.99 1sct s ASN 63 Ca -0.02 -1.10 0.17 0.00 0.21 0.00 0.00 52.86 52.12 1sct s ASN 63 Cb 0.13 -2.42 1.12 0.00 -0.55 0.00 0.00 41.25 39.53 1sct s ASN 63 CO 0.67 -1.41 1.96 0.77 -2.79 0.00 0.00 177.10 176.31 1sct h SER 64 N 9.50 0.29 -0.35 -4.21 4.64 -1.83 0.12 113.55 121.72 1sct h SER 64 Ca -0.24 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1sct h SER 64 Cb 1.06 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1sct h SER 64 CO 1.18 0.16 -0.04 0.11 -0.87 0.00 0.00 176.83 177.38 1sct h LYS 65 N 0.32 0.64 -0.45 4.77 1.57 -1.91 -1.15 116.57 120.35 1sct h LYS 65 Ca 0.30 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1sct h LYS 65 Cb 0.75 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1sct h LYS 65 CO -0.07 0.78 -0.00 1.25 -0.57 0.00 0.00 179.45 180.83 1sct h LEU 66 N 0.43 0.79 -0.25 2.94 5.85 -1.15 -2.09 115.31 121.84 1sct h LEU 66 Ca 0.09 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1sct h LEU 66 Cb 0.51 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1sct h LEU 66 CO 0.02 0.91 0.16 -0.09 -0.34 0.00 0.00 178.44 179.10 1sct h ARG 67 N 0.65 0.33 -0.51 1.25 2.43 -0.59 0.18 114.38 118.11 1sct h ARG 67 Ca 0.13 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1sct h ARG 67 Cb 0.50 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1sct h ARG 67 CO 0.02 0.23 0.09 0.78 -1.51 0.00 0.00 179.97 179.58 1sct h GLY 68 N 0.33 0.91 0.93 2.80 0.00 -1.23 -1.44 103.07 105.37 1sct h GLY 68 Ca 0.09 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.83 1sct h GLY 68 CO -0.02 0.56 0.09 0.84 0.00 0.00 0.00 176.54 178.00 1sct h HIS 69 N 0.72 0.16 -0.54 5.60 -0.00 -0.85 -2.23 115.15 118.02 1sct h HIS 69 Ca 0.16 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.55 1sct h HIS 69 Cb 0.39 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 1sct h HIS 69 CO 0.03 0.09 0.34 0.00 -0.00 0.00 0.00 177.93 178.39 1sct h ALA 70 N 1.09 0.69 -0.53 5.26 0.00 -0.38 -0.55 119.26 124.84 1sct h ALA 70 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sct h ALA 70 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sct h ALA 70 CO -0.05 0.07 0.12 0.82 0.00 0.00 0.00 179.25 180.21 1sct h ILE 71 N 0.68 1.25 -0.39 0.00 2.04 -1.20 -2.36 117.51 117.52 1sct h ILE 71 Ca 0.21 -0.89 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 1sct h ILE 71 Cb -0.02 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1sct h ILE 71 CO -0.08 0.32 -0.22 0.74 0.00 0.00 0.00 178.15 178.92 1sct h THR 72 N 0.75 1.27 -0.49 -0.27 2.02 -0.91 -0.85 112.91 114.43 1sct h THR 72 Ca 0.16 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 1sct h THR 72 Cb 0.35 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1sct h THR 72 CO 0.00 0.44 0.19 0.25 0.37 0.00 0.00 175.52 176.78 1sct h LEU 73 N 0.68 0.64 -0.62 2.58 6.46 -0.99 -2.07 115.31 121.98 1sct h LEU 73 Ca 0.10 -0.07 -0.15 0.00 -0.12 0.00 0.00 57.88 57.63 1sct h LEU 73 Cb 0.73 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1sct h LEU 73 CO 0.06 0.58 -0.63 0.74 -0.62 0.00 0.00 178.44 178.57 1sct h THR 74 N 0.70 1.40 0.00 1.05 2.02 -0.63 -2.24 112.91 115.21 1sct h THR 74 Ca 0.17 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1sct h THR 74 Cb 0.15 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1sct h THR 74 CO -0.02 0.60 0.00 1.88 0.37 0.00 0.00 175.52 178.36 1sct h TYR 75 N 0.16 0.00 -0.07 3.16 0.05 -0.79 -1.42 116.97 118.06 1sct h TYR 75 Ca -0.01 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.54 1sct h TYR 75 Cb 1.15 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.90 1sct h TYR 75 CO 0.02 0.00 -0.89 0.00 -1.05 0.00 0.00 178.16 176.24 1sct h ALA 76 N 2.02 0.30 -0.31 3.88 0.00 -0.81 -0.84 119.26 123.49 1sct h ALA 76 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 1sct h ALA 76 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sct h ALA 76 CO 0.00 0.72 -0.26 -0.07 0.00 0.00 0.00 179.25 179.64 1sct h LEU 77 N 0.40 0.63 -0.50 0.00 3.38 -0.93 -1.89 115.31 116.40 1sct h LEU 77 Ca -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1sct h LEU 77 Cb 1.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1sct h LEU 77 CO 0.17 0.87 0.26 -1.13 0.09 0.00 0.00 178.44 178.70 1sct h ASN 78 N 0.54 0.64 0.20 -0.43 -0.00 -1.09 -2.18 115.58 113.26 1sct h ASN 78 Ca 0.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.30 56.26 1sct h ASN 78 Cb 0.73 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.88 1sct h ASN 78 CO 0.06 0.57 -0.12 -1.13 -0.00 0.00 0.00 177.43 176.80 1sct h ASN 79 N 0.67 -0.31 -0.41 1.15 -0.73 -1.02 -1.86 115.58 113.07 1sct h ASN 79 Ca 0.18 0.02 0.08 0.00 1.87 0.00 0.00 56.30 58.45 1sct h ASN 79 Cb 0.08 0.09 -0.09 0.00 0.27 0.00 0.00 38.32 38.67 1sct h ASN 79 CO -0.03 -0.20 -0.31 -0.26 -0.37 0.00 0.00 177.43 176.27 1sct h PHE 80 N -0.31 -0.85 -0.28 0.67 0.04 -1.21 -1.27 116.94 113.73 1sct h PHE 80 Ca -0.02 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1sct h PHE 80 Cb 0.26 0.43 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1sct h PHE 80 CO -0.09 -0.37 0.13 0.28 -0.60 0.00 0.00 178.31 177.66 1sct h VAL 81 N -0.23 1.10 0.00 -0.55 2.07 -1.36 -0.73 116.25 116.56 1sct h VAL 81 Ca 0.18 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1sct h VAL 81 Cb 0.53 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sct h VAL 81 CO -0.54 0.12 0.00 0.47 0.02 0.00 0.00 177.57 177.64 1sct n ASP 82 N -4.44 0.11 -1.02 0.57 8.00 -0.56 -2.91 116.55 116.31 1sct n ASP 82 Ca 0.01 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.14 1sct n ASP 82 Cb 0.11 -0.55 0.16 0.00 -0.02 0.00 0.00 41.12 40.82 1sct n ASP 82 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sct n SER 83 N -1.61 3.18 0.28 -2.24 7.64 -0.28 -4.55 113.62 116.03 1sct n SER 83 Ca 0.05 -1.96 0.16 0.00 1.01 0.00 0.00 58.87 58.13 1sct n SER 83 Cb 0.29 -0.13 0.79 0.00 -1.01 0.00 0.00 64.21 64.14 1sct n SER 83 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sct h LEU 84 N 4.39 0.00 0.00 -3.43 3.38 -1.52 -1.45 115.31 116.67 1sct h LEU 84 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sct h LEU 84 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1sct h LEU 84 CO 0.00 0.07 -0.09 0.44 0.09 0.00 0.00 178.44 178.95 1sct h ASP 85 N 0.00 0.00 -3.39 -0.43 3.32 -1.85 -3.43 116.42 110.64 1sct h ASP 85 Ca -0.00 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.42 1sct h ASP 85 Cb 0.36 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.51 1sct h ASP 85 CO 0.01 0.01 -0.75 -0.62 -1.72 0.00 0.00 179.24 176.17 1sct s ASP 86 N -4.97 4.25 0.24 6.45 -1.08 -0.55 -5.01 116.67 116.01 1sct s ASP 86 Ca 0.09 -1.76 -0.06 0.00 -0.52 0.00 0.00 52.55 50.31 1sct s ASP 86 Cb 0.10 -1.16 0.44 0.00 -1.46 0.00 0.00 42.92 40.84 1sct s ASP 86 CO 0.63 -0.38 1.69 -0.65 0.52 0.00 0.00 175.17 176.98 1sct h PRO 87 N 7.91 0.26 -0.20 4.34 0.11 -1.82 -0.14 132.00 142.47 1sct h PRO 87 Ca -0.11 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.89 1sct h PRO 87 Cb 1.02 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1sct h PRO 87 CO 0.48 0.17 -0.31 0.66 -0.21 0.00 0.00 178.00 178.79 1sct h SER 88 N 0.27 0.40 -0.20 -2.05 4.64 -1.95 0.17 113.55 114.84 1sct h SER 88 Ca 0.40 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 1sct h SER 88 Cb 0.67 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1sct h SER 88 CO -0.50 0.70 -0.28 -0.09 -0.87 0.00 0.00 176.83 175.80 1sct h ARG 89 N 0.34 0.54 -0.54 4.77 2.43 -1.64 -1.08 114.38 119.20 1sct h ARG 89 Ca 0.04 -0.32 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1sct h ARG 89 Cb 0.73 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1sct h ARG 89 CO 0.06 0.91 0.08 1.25 -1.51 0.00 0.00 179.97 180.76 1sct h LEU 90 N 0.21 0.88 0.00 3.80 5.85 -0.61 -1.83 115.31 123.61 1sct h LEU 90 Ca 0.02 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1sct h LEU 90 Cb 0.85 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1sct h LEU 90 CO 0.07 0.92 -0.06 0.50 -0.34 0.00 0.00 178.44 179.53 1sct h LYS 91 N 0.80 -0.10 0.00 1.25 3.64 -0.63 -1.17 116.57 120.36 1sct h LYS 91 Ca 0.16 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1sct h LYS 91 Cb 0.43 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1sct h LYS 91 CO 0.01 -0.07 -0.30 0.00 -2.27 0.00 0.00 179.45 176.83 1sct h VAL 93 N 0.00 1.31 -0.46 0.00 2.07 -1.20 -2.48 116.25 115.50 1sct h VAL 93 Ca -0.00 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 1sct h VAL 93 Cb 0.92 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1sct h VAL 93 CO 0.04 0.43 -0.08 0.58 0.02 0.00 0.00 177.57 178.56 1sct h VAL 94 N 0.29 1.26 -0.44 2.57 2.07 -0.85 -1.73 116.25 119.42 1sct h VAL 94 Ca 0.04 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1sct h VAL 94 Cb 0.78 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1sct h VAL 94 CO 0.06 0.40 -0.03 -0.33 0.02 0.00 0.00 177.57 177.69 1sct h GLU 95 N 0.74 0.74 0.39 1.57 5.08 -1.12 0.22 114.58 122.21 1sct h GLU 95 Ca 0.13 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1sct h GLU 95 Cb 0.57 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1sct h GLU 95 CO 0.04 0.77 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.40 1sct h LYS 96 N 0.69 -0.51 0.00 2.33 1.63 -1.16 -2.25 116.57 117.30 1sct h LYS 96 Ca 0.13 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1sct h LYS 96 Cb 0.46 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1sct h LYS 96 CO 0.02 -0.30 -0.27 0.74 -3.45 0.00 0.00 179.45 176.19 1sct h PHE 97 N -0.59 0.00 -0.60 1.91 0.04 -1.13 -2.26 116.94 114.30 1sct h PHE 97 Ca -0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 1sct h PHE 97 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1sct h PHE 97 CO -0.03 0.27 -0.01 0.00 -0.60 0.00 0.00 178.31 177.94 1sct h ALA 98 N 1.73 0.84 -0.47 2.45 0.00 -0.45 -3.09 119.26 120.26 1sct h ALA 98 Ca -0.00 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1sct h ALA 98 Cb 0.68 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1sct h ALA 98 CO 0.04 0.67 0.22 0.28 0.00 0.00 0.00 179.25 180.46 1sct h VAL 99 N 0.97 0.93 0.00 0.00 2.07 -0.79 -1.00 116.25 118.43 1sct h VAL 99 Ca 0.17 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1sct h VAL 99 Cb 0.57 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1sct h VAL 99 CO 0.03 0.08 -0.11 0.78 0.02 0.00 0.00 177.57 178.37 1sct h ASN 100 N 0.44 0.00 0.19 0.57 4.21 -1.50 -2.32 115.58 117.17 1sct h ASN 100 Ca 0.21 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.41 1sct h ASN 100 Cb 0.15 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.37 1sct h ASN 100 CO -0.17 0.11 -1.47 0.45 -1.29 0.00 0.00 177.43 175.06 1sct h HIS 101 N 0.00 0.74 -0.64 1.19 3.86 -1.43 -3.09 115.15 115.79 1sct h HIS 101 Ca -0.00 -0.54 0.08 0.00 -1.16 0.00 0.00 60.37 58.75 1sct h HIS 101 Cb 0.20 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.58 1sct h HIS 101 CO 0.00 1.57 0.30 0.82 0.86 0.00 0.00 177.93 181.48 1sct h ILE 102 N -0.02 0.84 0.00 2.45 2.04 -0.98 0.94 117.51 122.79 1sct h ILE 102 Ca -0.28 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1sct h ILE 102 Cb 2.00 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1sct h ILE 102 CO 0.19 0.10 -0.13 0.78 0.00 0.00 0.00 178.15 179.08 1sct h ASN 103 N 0.53 0.00 -0.24 1.72 2.35 -1.53 0.86 115.58 119.26 1sct h ASN 103 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1sct h ASN 103 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1sct h ASN 103 CO -0.26 0.13 0.00 0.54 -1.65 0.00 0.00 177.43 176.19 1sct n ARG 104 N -4.18 1.67 -2.78 0.81 5.12 0.17 -4.90 116.66 112.57 1sct n ARG 104 Ca -0.02 -1.03 -0.15 0.00 -1.93 0.00 0.00 57.85 54.71 1sct n ARG 104 Cb 0.21 -1.30 0.03 0.00 -1.16 0.00 0.00 32.46 30.24 1sct n ARG 104 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1sct n LYS 105 N 0.30 -3.39 -3.64 5.56 5.02 0.29 -5.00 118.16 117.30 1sct n LYS 105 Ca 0.13 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.67 1sct n LYS 105 Cb 0.27 -4.89 -0.11 0.00 -0.02 0.00 0.00 35.03 30.29 1sct n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sct s ILE 106 N -2.98 5.19 0.51 -0.18 -1.09 -0.30 -5.01 121.20 117.34 1sct s ILE 106 Ca 0.21 0.13 -0.02 0.00 -2.23 0.00 0.00 60.65 58.73 1sct s ILE 106 Cb -0.09 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1sct s ILE 106 CO 0.26 0.29 0.77 -0.94 -1.23 0.00 0.00 174.94 174.09 1sct s SER 107 N 1.51 5.74 0.46 3.58 1.04 -1.26 -4.11 113.70 120.67 1sct s SER 107 Ca 0.07 0.48 0.12 0.00 0.48 0.00 0.00 55.95 57.10 1sct s SER 107 Cb -0.15 -1.62 1.06 0.00 0.10 0.00 0.00 66.02 65.41 1sct s SER 107 CO 0.08 -0.85 2.09 1.23 0.98 0.00 0.00 173.24 176.77 1sct h GLY 108 N 0.15 0.31 0.76 7.32 0.00 -1.83 -0.20 103.07 109.59 1sct h GLY 108 Ca -0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1sct h GLY 108 CO 0.59 0.11 -0.01 -0.55 0.00 0.00 0.00 176.54 176.67 1sct h ASP 109 N 0.29 -0.03 -0.42 0.19 5.19 -1.94 -1.85 116.42 117.85 1sct h ASP 109 Ca 0.10 -0.23 -0.06 0.00 -0.62 0.00 0.00 57.03 56.22 1sct h ASP 109 Cb 0.05 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1sct h ASP 109 CO -0.02 0.21 0.08 0.00 -3.12 0.00 0.00 179.24 176.39 1sct h ALA 110 N 0.68 1.21 -0.80 3.45 0.00 -1.79 -2.92 119.26 119.09 1sct h ALA 110 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1sct h ALA 110 Cb 0.26 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1sct h ALA 110 CO 0.01 0.53 0.42 0.35 0.00 0.00 0.00 179.25 180.55 1sct h PHE 111 N 0.73 1.12 0.00 0.00 3.57 -0.95 -2.21 116.94 119.21 1sct h PHE 111 Ca 0.16 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1sct h PHE 111 Cb 0.34 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1sct h PHE 111 CO 0.02 0.80 0.16 0.41 -2.23 0.00 0.00 178.31 177.47 1sct n GLY 112 N -1.05 -0.63 0.22 2.40 0.00 -0.70 -2.61 105.19 102.81 1sct n GLY 112 Ca 0.08 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.36 1sct n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sct h ALA 113 N 1.51 1.00 0.00 4.61 0.00 -1.51 -2.65 119.26 122.23 1sct h ALA 113 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1sct h ALA 113 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sct h ALA 113 CO 0.00 0.00 -0.31 0.97 0.00 0.00 0.00 179.25 179.91 1sct h ILE 114 N 0.00 0.70 0.05 0.00 6.09 -1.74 -3.37 117.51 119.24 1sct h ILE 114 Ca 0.00 -1.41 -0.00 0.00 -1.37 0.00 0.00 64.86 62.08 1sct h ILE 114 Cb 0.17 1.92 0.00 0.00 0.47 0.00 0.00 36.82 39.38 1sct h ILE 114 CO 0.00 0.31 -0.02 0.58 -3.07 0.00 0.00 178.15 175.94 1sct h VAL 115 N 0.00 0.99 -0.36 2.19 2.07 -1.73 0.97 116.25 120.38 1sct h VAL 115 Ca -0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1sct h VAL 115 Cb 0.89 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1sct h VAL 115 CO 0.04 0.03 0.21 -0.33 0.02 0.00 0.00 177.57 177.55 1sct h GLU 116 N -0.13 0.48 -0.88 1.57 4.39 -1.81 0.04 114.58 118.24 1sct h GLU 116 Ca -0.01 -0.04 0.14 0.00 0.34 0.00 0.00 59.36 59.79 1sct h GLU 116 Cb 0.11 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.57 1sct h GLU 116 CO 0.01 0.37 0.49 -1.35 -1.16 0.00 0.00 179.01 177.37 1sct h PRO 117 N 0.46 0.70 -0.17 2.33 0.11 -1.71 -1.86 132.00 131.88 1sct h PRO 117 Ca 0.13 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1sct h PRO 117 Cb 0.01 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 1sct h PRO 117 CO -0.02 0.47 -0.06 1.98 -0.21 0.00 0.00 178.00 180.15 1sct h MET 118 N 0.73 0.34 -0.95 1.05 1.85 -0.34 -1.01 114.93 116.59 1sct h MET 118 Ca 0.47 -0.14 0.17 0.00 -0.61 0.00 0.00 59.70 59.59 1sct h MET 118 Cb 0.60 -0.01 -0.10 0.00 0.43 0.00 0.00 31.60 32.51 1sct h MET 118 CO -0.33 0.63 0.55 -0.22 -0.40 0.00 0.00 176.91 177.15 1sct h LYS 119 N 0.03 0.70 -0.39 0.39 3.64 -0.71 -0.98 116.57 119.25 1sct h LYS 119 Ca 0.04 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1sct h LYS 119 Cb 0.52 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1sct h LYS 119 CO 0.02 0.46 -0.35 0.93 -2.27 0.00 0.00 179.45 178.24 1sct h GLU 120 N 0.72 0.91 -0.56 1.90 4.39 -0.95 -2.29 114.58 118.69 1sct h GLU 120 Ca 0.54 -0.46 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1sct h GLU 120 Cb 0.81 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1sct h GLU 120 CO -0.38 1.11 0.09 1.15 -1.16 0.00 0.00 179.01 179.82 1sct h THR 121 N 0.75 1.26 -0.55 1.13 2.02 -0.41 -2.38 112.91 114.72 1sct h THR 121 Ca 0.07 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 66.16 1sct h THR 121 Cb 0.93 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1sct h THR 121 CO 0.09 0.36 -0.09 -0.07 0.37 0.00 0.00 175.52 176.18 1sct h LEU 122 N 0.83 1.04 -0.50 2.58 3.38 -1.14 -0.38 115.31 121.11 1sct h LEU 122 Ca 0.17 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1sct h LEU 122 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1sct h LEU 122 CO 0.01 1.14 0.32 0.11 0.09 0.00 0.00 178.44 180.11 1sct h LYS 123 N 0.92 0.67 -0.37 1.13 1.57 -1.39 0.33 116.57 119.44 1sct h LYS 123 Ca 0.15 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1sct h LYS 123 Cb 0.66 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1sct h LYS 123 CO 0.05 0.46 -0.42 0.00 -0.57 0.00 0.00 179.45 178.97 1sct h ALA 124 N 1.17 0.55 0.00 3.86 0.00 -1.20 -3.01 119.26 120.63 1sct h ALA 124 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sct h ALA 124 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sct h ALA 124 CO -0.04 0.68 -0.75 0.00 0.00 0.00 0.00 179.25 179.14 1sct h ARG 125 N 0.75 0.00 -0.00 0.00 3.08 -1.00 -3.35 114.38 113.85 1sct h ARG 125 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1sct h ARG 125 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1sct h ARG 125 CO 0.10 0.00 -0.67 -1.33 -1.07 0.00 0.00 179.97 177.00 1sct n MET 126 N -2.38 0.31 0.00 0.04 2.81 0.10 -4.91 117.12 113.08 1sct n MET 126 Ca 0.02 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1sct n MET 126 Cb 0.49 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1sct n MET 126 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sct n GLY 127 N 1.47 2.88 0.00 3.03 0.00 -1.14 -1.05 105.19 110.38 1sct n GLY 127 Ca 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.99 1sct n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sct n ASN 128 N 2.18 0.00 -0.55 1.61 3.02 -1.26 -2.31 115.26 117.95 1sct n ASN 128 Ca 0.00 -1.05 0.12 0.00 -0.03 0.00 0.00 54.58 53.62 1sct n ASN 128 Cb 0.00 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.37 1sct n ASN 128 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sct n TYR 129 N -0.73 0.00 -2.32 3.10 4.01 -0.22 -4.95 117.16 116.06 1sct n TYR 129 Ca 0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.45 1sct n TYR 129 Cb 0.03 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1sct n TYR 129 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1sct s TYR 130 N -2.29 2.92 0.06 -0.72 5.04 -0.98 -5.02 117.35 116.36 1sct s TYR 130 Ca 0.25 1.56 -0.05 0.00 -2.44 0.00 0.00 57.07 56.39 1sct s TYR 130 Cb 0.19 -3.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.17 1sct s TYR 130 CO 0.46 -1.33 0.07 -1.54 -1.34 0.00 0.00 175.55 171.86 1sct s SER 131 N -1.48 0.29 0.53 4.32 1.04 -1.26 -5.03 113.70 112.11 1sct s SER 131 Ca 0.64 -0.76 0.34 0.00 0.48 0.00 0.00 55.95 56.65 1sct s SER 131 Cb -0.26 0.25 1.57 0.00 0.10 0.00 0.00 66.02 67.68 1sct s SER 131 CO 0.32 -0.62 2.03 0.44 0.98 0.00 0.00 173.24 176.39 1sct h ASP 132 N 3.17 0.00 0.16 7.02 3.32 -2.00 0.93 116.42 129.02 1sct h ASP 132 Ca -0.34 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1sct h ASP 132 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1sct h ASP 132 CO 0.59 0.00 -0.13 0.44 -1.72 0.00 0.00 179.24 178.41 1sct h ASP 133 N 0.00 0.00 -0.15 6.45 5.19 -1.99 -0.54 116.42 125.38 1sct h ASP 133 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 1sct h ASP 133 Cb 0.34 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1sct h ASP 133 CO 0.00 0.13 -0.12 0.58 -3.12 0.00 0.00 179.24 176.71 1sct h VAL 134 N 0.00 1.34 -0.39 -1.35 2.07 -1.17 -1.55 116.25 115.19 1sct h VAL 134 Ca -0.00 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 1sct h VAL 134 Cb 0.25 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1sct h VAL 134 CO 0.02 0.37 -0.10 0.00 0.02 0.00 0.00 177.57 177.88 1sct h ALA 135 N 0.63 1.10 -0.64 1.67 0.00 -1.39 -2.22 119.26 118.41 1sct h ALA 135 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1sct h ALA 135 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1sct h ALA 135 CO 0.03 0.56 0.18 0.78 0.00 0.00 0.00 179.25 180.80 1sct h GLY 136 N 0.96 1.06 0.99 0.00 0.00 -0.99 -1.41 103.07 103.68 1sct h GLY 136 Ca 0.11 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1sct h GLY 136 CO 0.03 0.58 -0.13 0.00 0.00 0.00 0.00 176.54 177.03 1sct h ALA 137 N 1.24 0.55 -0.23 3.60 0.00 -0.81 -0.64 119.26 122.99 1sct h ALA 137 Ca 0.21 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1sct h ALA 137 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sct h ALA 137 CO -0.00 0.45 -0.42 -1.49 0.00 0.00 0.00 179.25 177.78 1sct h TRP 138 N 0.60 0.65 -0.45 0.00 4.06 -1.25 -2.25 115.95 117.32 1sct h TRP 138 Ca 0.10 -0.19 -0.09 0.00 2.06 0.00 0.00 58.89 60.76 1sct h TRP 138 Cb 0.66 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 1sct h TRP 138 CO 0.05 0.88 -0.08 0.00 -3.56 0.00 0.00 178.44 175.73 1sct h ALA 139 N 1.09 1.01 -0.22 1.49 0.00 -1.12 -0.02 119.26 121.50 1sct h ALA 139 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1sct h ALA 139 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1sct h ALA 139 CO 0.08 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1sct h ALA 140 N 1.18 1.59 0.03 0.00 0.00 -0.74 -2.18 119.26 119.15 1sct h ALA 140 Ca 0.13 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1sct h ALA 140 Cb 0.56 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1sct h ALA 140 CO 0.03 0.30 -1.02 1.25 0.00 0.00 0.00 179.25 179.82 1sct h LEU 141 N 0.32 0.57 -1.48 0.00 5.85 -0.75 -2.88 115.31 116.94 1sct h LEU 141 Ca 0.07 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1sct h LEU 141 Cb 0.22 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1sct h LEU 141 CO 0.00 1.30 0.33 0.58 -0.34 0.00 0.00 178.44 180.31 1sct h VAL 142 N 0.22 1.13 -0.03 1.05 2.07 -0.89 -2.67 116.25 117.14 1sct h VAL 142 Ca -0.10 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1sct h VAL 142 Cb 1.67 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1sct h VAL 142 CO 0.18 0.13 -0.00 1.23 0.02 0.00 0.00 177.57 179.13 1sct h GLY 143 N 0.70 0.04 0.95 2.17 0.00 -1.17 -0.90 103.07 104.86 1sct h GLY 143 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 1sct h GLY 143 CO -0.04 0.01 -0.12 -2.08 0.00 0.00 0.00 176.54 174.31 1sct h VAL 144 N 0.04 1.28 -0.33 4.60 2.07 -1.43 -1.36 116.25 121.12 1sct h VAL 144 Ca 0.01 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1sct h VAL 144 Cb 0.03 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1sct h VAL 144 CO 0.00 0.40 -0.05 0.58 0.02 0.00 0.00 177.57 178.52 1sct h VAL 145 N 0.48 1.27 -0.19 2.57 2.07 -1.50 -2.49 116.25 118.46 1sct h VAL 145 Ca 0.08 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1sct h VAL 145 Cb 0.64 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1sct h VAL 145 CO 0.04 0.35 0.13 1.56 0.02 0.00 0.00 177.57 179.67 1sct h GLN 146 N 0.41 0.10 0.00 1.57 4.20 -1.07 0.77 115.11 121.10 1sct h GLN 146 Ca 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1sct h GLN 146 Cb 0.52 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1sct h GLN 146 CO 0.03 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1sct h ALA 147 N 1.90 1.00 -0.02 3.87 0.00 -0.81 -2.95 119.26 122.25 1sct h ALA 147 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sct h ALA 147 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sct h ALA 147 CO -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.93 1sct n ALA 148 N -1.86 3.18 1.09 0.00 0.00 0.22 -4.24 120.51 118.89 1sct n ALA 148 Ca 0.03 -0.65 0.12 0.00 0.00 0.00 0.00 53.44 52.95 1sct n ALA 148 Cb 0.34 -0.77 0.18 0.00 0.00 0.00 0.00 19.45 19.20 1sct n ALA 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78