#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 0.73 -0.33 4.52 3.32 -1.97 0.40 116.42 123.09 1sct h ASP 2 Ca 0.00 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1sct h ASP 2 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1sct h ASP 2 CO 0.00 0.40 -0.08 0.00 -1.72 0.00 0.00 179.24 177.84 1sct h ALA 3 N 1.58 0.45 -0.07 3.45 0.00 -2.02 -1.86 119.26 120.79 1sct h ALA 3 Ca 0.44 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1sct h ALA 3 Cb 0.58 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sct h ALA 3 CO -0.20 0.29 -0.78 0.00 0.00 0.00 0.00 179.25 178.56 1sct h ALA 4 N 0.81 0.19 -0.23 0.00 0.00 -1.76 -1.58 119.26 116.69 1sct h ALA 4 Ca 0.08 -0.61 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1sct h ALA 4 Cb 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1sct h ALA 4 CO 0.03 0.56 -0.12 0.28 0.00 0.00 0.00 179.25 180.01 1sct h VAL 5 N 0.30 0.64 -0.51 0.00 2.07 -1.01 -2.22 116.25 115.52 1sct h VAL 5 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1sct h VAL 5 Cb 1.43 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1sct h VAL 5 CO 0.16 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.82 1sct h ALA 6 N 1.09 0.54 -0.49 1.67 0.00 -1.23 0.13 119.26 120.97 1sct h ALA 6 Ca 0.12 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1sct h ALA 6 Cb 0.28 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1sct h ALA 6 CO -0.29 -0.34 0.08 0.87 0.00 0.00 0.00 179.25 179.58 1sct h LYS 7 N 0.20 0.20 0.48 0.00 1.57 -0.67 -0.85 116.57 117.50 1sct h LYS 7 Ca 0.26 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1sct h LYS 7 Cb 0.36 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1sct h LYS 7 CO -0.36 0.14 -0.23 0.28 -0.57 0.00 0.00 179.45 178.70 1sct h VAL 8 N 0.21 0.00 -0.30 0.50 2.07 -1.07 -3.12 116.25 114.55 1sct h VAL 8 Ca 0.24 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1sct h VAL 8 Cb 0.33 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1sct h VAL 8 CO -0.33 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.31 1sct n GLY 10 N -1.11 -0.18 3.13 0.00 0.00 -0.33 -4.67 105.19 102.02 1sct n GLY 10 Ca 0.01 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.27 4.41 0.41 1.61 0.15 -0.80 -4.97 113.70 113.25 1sct s SER 11 Ca 0.21 -1.19 0.14 0.00 0.70 0.00 0.00 55.95 55.81 1sct s SER 11 Cb 0.11 -1.61 0.87 0.00 -1.71 0.00 0.00 66.02 63.68 1sct s SER 11 CO 0.16 -0.18 1.91 -0.33 1.20 0.00 0.00 173.24 176.00 1sct h GLU 12 N 7.89 0.00 -0.37 5.44 4.39 -1.83 -1.10 114.58 129.00 1sct h GLU 12 Ca -0.25 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 1sct h GLU 12 Cb 1.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1sct h GLU 12 CO 0.52 0.28 -0.00 0.00 -1.16 0.00 0.00 179.01 178.65 1sct h ALA 13 N 1.72 0.50 0.11 3.43 0.00 -1.93 0.24 119.26 123.33 1sct h ALA 13 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1sct h ALA 13 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sct h ALA 13 CO 0.04 0.27 -0.05 0.82 0.00 0.00 0.00 179.25 180.33 1sct h ILE 14 N 0.48 1.05 -0.93 0.00 2.04 -1.85 -1.37 117.51 116.93 1sct h ILE 14 Ca 0.11 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.42 1sct h ILE 14 Cb 0.47 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 1sct h ILE 14 CO 0.02 0.15 0.58 0.11 0.00 0.00 0.00 178.15 179.01 1sct h LYS 15 N -0.43 0.97 -0.35 2.37 1.57 -0.97 -1.65 116.57 118.08 1sct h LYS 15 Ca -0.01 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 1sct h LYS 15 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1sct h LYS 15 CO 0.02 0.64 -0.40 0.00 -0.57 0.00 0.00 179.45 179.15 1sct h ALA 16 N 1.46 0.63 -0.51 3.86 0.00 -0.41 -2.47 119.26 121.83 1sct h ALA 16 Ca 0.42 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1sct h ALA 16 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sct h ALA 16 CO -0.21 0.67 0.07 -0.91 0.00 0.00 0.00 179.25 178.88 1sct h ASN 17 N 0.69 0.76 -0.37 0.00 2.35 -0.47 -0.51 115.58 118.04 1sct h ASN 17 Ca 0.05 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.49 1sct h ASN 17 Cb 0.98 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1sct h ASN 17 CO 0.09 0.78 -0.38 -0.07 -1.65 0.00 0.00 177.43 176.20 1sct h LEU 18 N 0.77 0.97 -0.40 1.61 3.38 -1.30 -2.07 115.31 118.26 1sct h LEU 18 Ca 0.16 -0.47 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 1sct h LEU 18 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1sct h LEU 18 CO 0.01 1.24 -0.29 0.03 0.09 0.00 0.00 178.44 179.53 1sct h ARG 19 N 0.72 0.91 -0.03 1.13 3.08 -1.22 0.39 114.38 119.35 1sct h ARG 19 Ca 0.06 -0.44 -0.18 0.00 0.07 0.00 0.00 59.98 59.49 1sct h ARG 19 Cb 0.98 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1sct h ARG 19 CO 0.09 1.09 -0.76 0.07 -1.07 0.00 0.00 179.97 179.40 1sct h ARG 20 N 0.73 0.23 0.03 0.04 0.11 -1.10 -1.31 114.38 113.10 1sct h ARG 20 Ca 0.08 -0.21 -0.23 0.00 0.10 0.00 0.00 59.98 59.72 1sct h ARG 20 Cb 0.87 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1sct h ARG 20 CO 0.08 0.88 -0.99 0.66 0.10 0.00 0.00 179.97 180.70 1sct h SER 21 N 0.15 0.45 -0.33 0.08 4.64 -1.36 -2.91 113.55 114.28 1sct h SER 21 Ca -0.03 -0.39 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 1sct h SER 21 Cb 1.33 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1sct h SER 21 CO 0.12 1.21 0.13 -0.25 -0.87 0.00 0.00 176.83 177.16 1sct h TRP 22 N 0.17 0.57 -0.99 4.77 2.91 -0.85 -0.59 115.95 121.93 1sct h TRP 22 Ca -0.08 -0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.02 1sct h TRP 22 Cb 1.65 -0.18 -0.08 0.00 -0.51 0.00 0.00 29.16 30.04 1sct h TRP 22 CO 0.05 0.47 0.63 0.78 -1.03 0.00 0.00 178.44 179.35 1sct h GLY 23 N 0.75 1.58 0.93 2.65 0.00 -1.03 -0.14 103.07 107.81 1sct h GLY 23 Ca 0.13 -0.43 -0.23 0.00 0.00 0.00 0.00 47.33 46.81 1sct h GLY 23 CO -0.01 0.19 -0.95 -2.08 0.00 0.00 0.00 176.54 173.69 1sct h VAL 24 N 1.01 1.40 -0.42 4.60 2.07 -1.29 -3.34 116.25 120.27 1sct h VAL 24 Ca 0.48 -2.41 -0.12 0.00 0.82 0.00 0.00 66.70 65.47 1sct h VAL 24 Cb 0.44 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1sct h VAL 24 CO -0.24 0.71 -0.19 -0.07 0.02 0.00 0.00 177.57 177.80 1sct h LEU 25 N -0.06 0.90 0.00 2.57 4.07 -0.43 -2.57 115.31 119.80 1sct h LEU 25 Ca -0.15 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.41 1sct h LEU 25 Cb 1.69 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.18 1sct h LEU 25 CO 0.18 1.10 0.00 -1.54 -1.08 0.00 0.00 178.44 177.10 1sct n SER 26 N -4.21 0.00 0.17 -0.43 3.41 -0.13 -2.20 113.62 110.23 1sct n SER 26 Ca -0.01 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1sct n SER 26 Cb 0.43 -0.43 0.60 0.00 -0.26 0.00 0.00 64.21 64.55 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 2.16 1.00 -1.15 7.33 0.00 -1.57 -3.32 119.26 123.71 1sct h ALA 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1sct h ALA 27 Cb 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.65 1sct h ALA 27 CO 0.00 0.00 -0.49 0.34 0.00 0.00 0.00 179.25 179.10 1sct s ASP 28 N -4.37 -1.11 0.22 0.00 -1.08 -0.93 -5.02 116.67 104.38 1sct s ASP 28 Ca 0.01 -1.00 -0.09 0.00 -0.52 0.00 0.00 52.55 50.96 1sct s ASP 28 Cb 0.08 1.74 0.18 0.00 -1.46 0.00 0.00 42.92 43.46 1sct s ASP 28 CO 0.34 -0.17 1.85 0.40 0.52 0.00 0.00 175.17 178.10 1sct h ILE 29 N 5.00 1.24 -0.55 4.11 2.04 -1.68 -2.20 117.51 125.47 1sct h ILE 29 Ca 0.05 -0.57 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1sct h ILE 29 Cb 1.15 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1sct h ILE 29 CO 0.11 0.26 -0.07 -0.08 0.00 0.00 0.00 178.15 178.38 1sct h GLU 30 N 1.14 1.01 -0.38 2.37 4.81 -1.93 -2.25 114.58 119.35 1sct h GLU 30 Ca 0.29 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1sct h GLU 30 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1sct h GLU 30 CO -0.05 1.04 -0.15 0.00 -0.73 0.00 0.00 179.01 179.12 1sct h ALA 31 N 0.94 1.03 -0.48 2.92 0.00 -1.93 -1.60 119.26 120.14 1sct h ALA 31 Ca 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1sct h ALA 31 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1sct h ALA 31 CO 0.04 0.58 0.23 1.15 0.00 0.00 0.00 179.25 181.25 1sct h THR 32 N 0.62 1.19 -0.35 0.00 2.02 -1.24 0.98 112.91 116.13 1sct h THR 32 Ca 0.10 -0.54 -0.15 0.00 0.77 0.00 0.00 66.41 66.59 1sct h THR 32 Cb 0.61 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1sct h THR 32 CO 0.04 0.21 -0.37 1.23 0.37 0.00 0.00 175.52 177.00 1sct h GLY 33 N 0.63 0.95 1.03 2.16 0.00 -1.22 -0.04 103.07 106.58 1sct h GLY 33 Ca 0.16 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.39 1sct h GLY 33 CO -0.02 0.89 -0.20 1.41 0.00 0.00 0.00 176.54 178.62 1sct h LEU 34 N 0.67 0.87 -0.69 3.11 4.07 -1.13 -2.03 115.31 120.17 1sct h LEU 34 Ca 0.05 -0.41 -0.12 0.00 0.08 0.00 0.00 57.88 57.48 1sct h LEU 34 Cb 0.97 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1sct h LEU 34 CO 0.09 1.08 -0.30 -0.03 -1.08 0.00 0.00 178.44 178.20 1sct h MET 35 N 0.65 0.67 -0.46 1.13 4.05 -0.64 -1.47 114.93 118.87 1sct h MET 35 Ca 0.09 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.17 1sct h MET 35 Cb 0.76 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1sct h MET 35 CO 0.06 0.90 0.15 -0.07 0.23 0.00 0.00 176.91 178.18 1sct h LEU 36 N 0.58 0.67 -0.50 3.39 3.38 -0.87 -1.98 115.31 119.97 1sct h LEU 36 Ca 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1sct h LEU 36 Cb 0.81 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1sct h LEU 36 CO 0.07 0.69 -0.01 0.24 0.09 0.00 0.00 178.44 179.52 1sct h MET 37 N 0.61 0.89 -0.25 1.13 2.86 -1.24 -1.05 114.93 117.88 1sct h MET 37 Ca 0.15 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1sct h MET 37 Cb 0.26 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1sct h MET 37 CO -0.01 0.93 0.04 1.03 1.06 0.00 0.00 176.91 179.96 1sct h SER 38 N 0.76 -0.01 -0.43 1.22 0.87 -1.22 -2.28 113.55 112.46 1sct h SER 38 Ca 0.14 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1sct h SER 38 Cb 0.53 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1sct h SER 38 CO 0.03 0.03 0.04 0.78 -0.53 0.00 0.00 176.83 177.18 1sct h ASN 39 N 0.13 0.77 -0.80 6.23 2.35 -1.04 -1.62 115.58 121.59 1sct h ASN 39 Ca 0.12 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1sct h ASN 39 Cb 0.13 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1sct h ASN 39 CO -0.16 0.81 0.51 0.25 -1.65 0.00 0.00 177.43 177.18 1sct h LEU 40 N 0.76 0.85 0.00 1.61 5.85 -0.89 -0.84 115.31 122.65 1sct h LEU 40 Ca 0.16 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1sct h LEU 40 Cb 0.40 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1sct h LEU 40 CO 0.01 0.58 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.18 1sct h PHE 41 N 0.99 0.00 0.00 1.25 0.04 -1.06 -1.77 116.94 116.39 1sct h PHE 41 Ca 0.32 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.03 1sct h PHE 41 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1sct h PHE 41 CO -0.03 0.09 -0.36 1.15 -0.60 0.00 0.00 178.31 178.57 1sct h THR 42 N 0.00 1.30 0.00 -1.55 2.02 -1.14 -3.15 112.91 110.40 1sct h THR 42 Ca -0.00 -2.11 -0.10 0.00 0.77 0.00 0.00 66.41 64.97 1sct h THR 42 Cb 1.07 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 70.06 1sct h THR 42 CO 0.01 0.44 -0.64 -0.07 0.37 0.00 0.00 175.52 175.63 1sct h LEU 43 N -1.00 0.00 -6.04 2.58 3.38 -1.28 -3.35 115.31 109.60 1sct h LEU 43 Ca -0.09 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.29 1sct h LEU 43 Cb 0.96 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.30 1sct h LEU 43 CO -0.06 0.43 -0.75 0.54 0.09 0.00 0.00 178.44 178.70 1sct n ARG 44 N -3.12 2.11 -0.04 1.13 5.12 -0.66 -4.94 116.66 116.26 1sct n ARG 44 Ca -0.00 -4.30 0.24 0.00 -1.93 0.00 0.00 57.85 51.86 1sct n ARG 44 Cb 0.72 -1.98 0.72 0.00 -1.16 0.00 0.00 32.46 30.76 1sct n ARG 44 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1sct h PRO 45 N 3.95 0.00 -0.13 5.56 0.11 -1.69 0.12 132.00 139.92 1sct h PRO 45 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1sct h PRO 45 Cb 0.71 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1sct h PRO 45 CO 0.73 0.00 0.05 0.38 -0.21 0.00 0.00 178.00 178.96 1sct h ASP 46 N 0.00 0.16 0.39 -2.05 2.03 -1.89 -2.99 116.42 112.07 1sct h ASP 46 Ca 0.31 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1sct h ASP 46 Cb 1.42 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 1sct h ASP 46 CO -0.00 0.15 0.00 0.35 -1.03 0.00 0.00 179.24 178.70 1sct n THR 47 N -4.48 1.09 0.27 1.15 -2.24 0.41 -3.30 114.28 107.18 1sct n THR 47 Ca -0.01 0.40 0.13 0.00 -2.27 0.00 0.00 64.05 62.30 1sct n THR 47 Cb 0.11 -1.33 0.75 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.73 -3.04 116.57 112.59 1sct h LYS 48 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sct h LYS 48 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1sct h LYS 48 CO 0.00 0.10 0.00 1.79 -0.57 0.00 0.00 179.45 180.77 1sct h THR 49 N 0.00 0.00 -0.00 -0.16 1.35 -1.83 0.39 112.91 112.66 1sct h THR 49 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1sct h THR 49 Cb 0.29 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1sct h THR 49 CO 0.01 0.00 -0.00 -1.22 -0.25 0.00 0.00 175.52 174.06 1sct n TYR 50 N -2.83 0.00 -2.43 4.73 4.01 -1.15 -4.21 117.16 115.28 1sct n TYR 50 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1sct n TYR 50 Cb 0.22 -0.20 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 1sct n TYR 50 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1sct n PHE 51 N -1.19 2.80 0.11 -0.72 3.72 0.13 -4.83 117.46 117.48 1sct n PHE 51 Ca 0.17 -2.82 0.02 0.00 -0.05 0.00 0.00 57.45 54.77 1sct n PHE 51 Cb 0.21 -0.19 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1sct n PHE 51 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1sct h THR 52 N 2.74 0.76 0.00 4.37 1.35 -1.73 -2.72 112.91 117.68 1sct h THR 52 Ca 0.23 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 1sct h THR 52 Cb 1.11 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1sct h THR 52 CO 0.74 0.43 0.00 -1.14 -0.25 0.00 0.00 175.52 175.30 1sct n ARG 53 N -3.13 0.07 0.02 4.72 0.63 -1.26 -1.58 116.66 116.12 1sct n ARG 53 Ca -0.01 0.50 0.12 0.00 -0.92 0.00 0.00 57.85 57.54 1sct n ARG 53 Cb 0.75 -1.68 0.15 0.00 0.45 0.00 0.00 32.46 32.13 1sct n ARG 53 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1sct n LEU 54 N -1.82 0.61 0.00 6.15 4.77 -1.02 -5.02 117.00 120.67 1sct n LEU 54 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sct n LEU 54 Cb 0.06 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1sct n LEU 54 CO 0.07 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1sct n GLY 55 N 1.44 -0.06 3.52 -0.72 0.00 -0.61 -4.55 105.19 104.20 1sct n GLY 55 Ca 0.04 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 6.32 0.65 1.61 2.15 -1.26 -4.81 116.67 117.33 1sct s ASP 56 Ca 0.00 -1.06 0.42 0.00 0.43 0.00 0.00 52.55 52.34 1sct s ASP 56 Cb 0.00 -2.51 2.25 0.00 -0.30 0.00 0.00 42.92 42.36 1sct s ASP 56 CO 0.00 -1.56 2.32 -0.37 -0.17 0.00 0.00 175.17 175.39 1sct h VAL 57 N 6.22 0.05 0.00 1.11 -1.51 -1.90 0.73 116.25 120.95 1sct h VAL 57 Ca -0.08 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1sct h VAL 57 Cb 1.04 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1sct h VAL 57 CO 1.28 0.00 0.00 1.56 -1.23 0.00 0.00 177.57 179.19 1sct h GLN 58 N 0.00 0.00 0.00 5.19 1.08 -1.99 -2.16 115.11 117.23 1sct h GLN 58 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sct h GLN 58 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1sct h GLN 58 CO 0.00 0.00 0.00 0.87 -0.95 0.00 0.00 178.83 178.75 1sct h LYS 59 N 0.00 0.00 0.00 1.46 1.57 -1.24 -3.48 116.57 114.87 1sct h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sct h LYS 59 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1sct h LYS 59 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1sct n GLY 60 N -0.68 2.44 0.34 3.86 0.00 -0.82 -2.74 105.19 107.58 1sct n GLY 60 Ca -0.01 -0.46 0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.03 1.61 3.64 -1.93 -0.70 116.57 119.16 1sct h LYS 61 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 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 -0.41 0.00 -2.27 0.00 0.00 179.45 176.77 1sct h ALA 62 N 1.82 1.26 -1.63 5.00 0.00 -1.93 -3.38 119.26 120.40 1sct h ALA 62 Ca 0.01 -0.39 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 1sct h ALA 62 Cb 0.21 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1sct h ALA 62 CO -0.00 0.54 0.78 1.21 0.00 0.00 0.00 179.25 181.78 1sct s ASN 63 N -6.91 6.31 0.49 0.00 3.84 -0.27 -4.88 114.94 113.52 1sct s ASN 63 Ca -0.03 -0.32 0.25 0.00 0.21 0.00 0.00 52.86 52.96 1sct s ASN 63 Cb 0.14 -2.49 1.25 0.00 -0.55 0.00 0.00 41.25 39.60 1sct s ASN 63 CO 0.74 -1.45 1.99 0.77 -2.79 0.00 0.00 177.10 176.36 1sct h SER 64 N 9.55 0.00 -0.39 -4.21 4.64 -1.83 0.13 113.55 121.44 1sct h SER 64 Ca -0.27 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 1sct h SER 64 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1sct h SER 64 CO 1.17 0.17 -0.13 0.11 -0.87 0.00 0.00 176.83 177.28 1sct h LYS 65 N 0.00 0.85 -0.14 4.77 1.57 -1.90 -0.44 116.57 121.28 1sct h LYS 65 Ca -0.00 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.31 1sct h LYS 65 Cb 0.46 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1sct h LYS 65 CO 0.02 0.93 -0.59 1.25 -0.57 0.00 0.00 179.45 180.49 1sct h LEU 66 N 0.76 0.76 0.04 2.94 5.85 -1.49 -2.24 115.31 121.93 1sct h LEU 66 Ca 0.12 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.24 1sct h LEU 66 Cb 0.63 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1sct h LEU 66 CO 0.04 1.25 -0.12 -0.09 -0.34 0.00 0.00 178.44 179.19 1sct h ARG 67 N 0.31 -0.21 -0.97 1.25 2.43 -0.90 -0.14 114.38 116.15 1sct h ARG 67 Ca -0.03 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1sct h ARG 67 Cb 1.22 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 1sct h ARG 67 CO 0.12 -0.14 0.63 0.78 -1.51 0.00 0.00 179.97 179.85 1sct h GLY 68 N -0.22 1.37 0.92 2.80 0.00 -1.13 -1.79 103.07 105.01 1sct h GLY 68 Ca 0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1sct h GLY 68 CO -0.09 0.51 0.05 0.84 0.00 0.00 0.00 176.54 177.85 1sct h HIS 69 N 1.32 0.14 -0.52 5.60 -0.00 -1.17 -2.33 115.15 118.18 1sct h HIS 69 Ca 0.35 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.67 1sct h HIS 69 Cb -0.14 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 1sct h HIS 69 CO -0.00 0.18 0.13 0.00 -0.00 0.00 0.00 177.93 178.24 1sct h ALA 70 N 0.94 0.68 -0.63 5.26 0.00 -0.48 -0.85 119.26 124.17 1sct h ALA 70 Ca 0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1sct h ALA 70 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1sct h ALA 70 CO -0.00 0.37 0.15 0.82 0.00 0.00 0.00 179.25 180.59 1sct h ILE 71 N 0.72 1.25 -0.41 0.00 2.04 -1.35 -2.14 117.51 117.62 1sct h ILE 71 Ca 0.16 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 1sct h ILE 71 Cb 0.32 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1sct h ILE 71 CO 0.00 0.35 -0.03 0.74 0.00 0.00 0.00 178.15 179.20 1sct h THR 72 N 0.95 1.23 -0.59 -0.27 2.02 -1.11 -2.21 112.91 112.93 1sct h THR 72 Ca 0.20 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1sct h THR 72 Cb 0.34 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1sct h THR 72 CO 0.00 0.34 0.34 0.25 0.37 0.00 0.00 175.52 176.81 1sct h LEU 73 N 0.63 0.73 -1.19 2.58 6.46 -0.70 -2.11 115.31 121.71 1sct h LEU 73 Ca 0.12 -0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1sct h LEU 73 Cb 0.44 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1sct h LEU 73 CO 0.02 0.60 -0.36 0.74 -0.62 0.00 0.00 178.44 178.82 1sct h THR 74 N 0.80 1.27 0.00 1.05 2.02 -0.85 -2.00 112.91 115.20 1sct h THR 74 Ca 0.21 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1sct h THR 74 Cb 0.02 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1sct h THR 74 CO -0.04 0.38 -0.36 1.88 0.37 0.00 0.00 175.52 177.75 1sct h TYR 75 N 0.07 0.00 -0.62 3.16 0.05 -1.06 -0.55 116.97 118.03 1sct h TYR 75 Ca 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1sct h TYR 75 Cb 0.67 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1sct h TYR 75 CO 0.00 0.36 0.17 0.00 -1.05 0.00 0.00 178.16 177.64 1sct h ALA 76 N 1.64 0.81 -0.63 3.88 0.00 -0.70 -1.46 119.26 122.81 1sct h ALA 76 Ca -0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1sct h ALA 76 Cb 0.88 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1sct h ALA 76 CO 0.05 0.51 0.13 -0.07 0.00 0.00 0.00 179.25 179.87 1sct h LEU 77 N 0.90 0.97 -0.35 0.00 3.38 -1.18 -1.43 115.31 117.60 1sct h LEU 77 Ca 0.20 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1sct h LEU 77 Cb 0.33 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 1sct h LEU 77 CO -0.00 0.96 -0.17 -1.13 0.09 0.00 0.00 178.44 178.19 1sct h ASN 78 N 0.93 -0.57 -0.50 -0.43 -0.00 -0.96 -1.61 115.58 112.44 1sct h ASN 78 Ca 0.19 0.14 0.04 0.00 -0.00 0.00 0.00 56.30 56.67 1sct h ASN 78 Cb 0.38 0.31 -0.04 0.00 -0.00 0.00 0.00 38.32 38.98 1sct h ASN 78 CO 0.01 -0.20 0.27 -1.13 -0.00 0.00 0.00 177.43 176.38 1sct h ASN 79 N -0.11 0.41 -0.36 1.15 -0.73 -0.76 -1.82 115.58 113.37 1sct h ASN 79 Ca 0.18 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.42 1sct h ASN 79 Cb 0.38 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 38.86 1sct h ASN 79 CO -0.42 0.29 0.07 -0.26 -0.37 0.00 0.00 177.43 176.74 1sct h PHE 80 N 0.54 0.12 -0.72 0.67 0.04 -0.84 -1.89 116.94 114.86 1sct h PHE 80 Ca 0.21 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 1sct h PHE 80 Cb 0.09 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1sct h PHE 80 CO -0.09 0.02 0.42 0.28 -0.60 0.00 0.00 178.31 178.35 1sct h VAL 81 N 0.20 1.21 0.00 -0.55 2.07 -1.07 -1.16 116.25 116.94 1sct h VAL 81 Ca 0.17 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1sct h VAL 81 Cb 0.19 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1sct h VAL 81 CO -0.22 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1sct n ASP 82 N -4.52 0.00 -0.72 0.57 8.00 -0.70 -3.04 116.55 116.14 1sct n ASP 82 Ca 0.06 0.42 0.13 0.00 0.71 0.00 0.00 54.79 56.11 1sct n ASP 82 Cb 0.06 -0.46 0.33 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.46 2.21 0.18 -2.24 7.64 -0.44 -4.56 113.62 114.94 1sct n SER 83 Ca 0.05 -1.74 0.14 0.00 1.01 0.00 0.00 58.87 58.33 1sct n SER 83 Cb 0.20 -0.04 0.54 0.00 -1.01 0.00 0.00 64.21 63.90 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 3.32 0.00 -2.04 -3.43 3.38 -1.53 -3.01 115.31 111.99 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 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sct h LEU 84 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 1sct n ASP 85 N -2.57 3.05 -3.70 -0.43 8.00 -1.26 -4.70 116.55 114.94 1sct n ASP 85 Ca 0.02 -1.94 -0.28 0.00 0.71 0.00 0.00 54.79 53.30 1sct n ASP 85 Cb 0.28 -0.21 -0.16 0.00 -0.02 0.00 0.00 41.12 41.01 1sct n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sct s ASP 86 N -1.51 3.17 0.24 -2.24 2.15 -1.14 -5.02 116.67 112.32 1sct s ASP 86 Ca 0.37 -1.02 -0.06 0.00 0.43 0.00 0.00 52.55 52.27 1sct s ASP 86 Cb 0.21 -0.60 0.28 0.00 -0.30 0.00 0.00 42.92 42.52 1sct s ASP 86 CO 0.30 -0.35 1.89 -0.65 -0.17 0.00 0.00 175.17 176.19 1sct h PRO 87 N 8.24 1.10 0.00 4.34 0.11 -1.85 -1.16 132.00 142.79 1sct h PRO 87 Ca -0.16 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.81 1sct h PRO 87 Cb 1.09 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1sct h PRO 87 CO 0.37 0.73 -0.37 0.66 -0.21 0.00 0.00 178.00 179.18 1sct h SER 88 N 1.14 0.00 -0.08 -2.05 4.64 -1.95 -1.07 113.55 114.18 1sct h SER 88 Ca 0.36 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.54 1sct h SER 88 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1sct h SER 88 CO -0.12 0.37 -0.49 -0.09 -0.87 0.00 0.00 176.83 175.62 1sct h ARG 89 N 0.00 0.48 -0.70 4.77 2.43 -1.55 -1.91 114.38 117.90 1sct h ARG 89 Ca -0.00 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1sct h ARG 89 Cb 0.69 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1sct h ARG 89 CO 0.05 1.04 0.39 1.25 -1.51 0.00 0.00 179.97 181.19 1sct h LEU 90 N 0.05 0.86 -0.09 3.80 5.85 -1.14 -0.05 115.31 124.59 1sct h LEU 90 Ca -0.04 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1sct h LEU 90 Cb 1.15 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1sct h LEU 90 CO 0.10 0.70 0.03 0.50 -0.34 0.00 0.00 178.44 179.43 1sct h LYS 91 N 0.95 0.15 0.00 1.25 3.64 -1.22 0.14 116.57 121.48 1sct h LYS 91 Ca 0.25 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1sct h LYS 91 Cb 0.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sct h LYS 91 CO -0.04 0.31 -0.39 0.00 -2.27 0.00 0.00 179.45 177.06 1sct h VAL 93 N 0.00 1.43 -0.35 0.00 2.07 -0.87 -1.98 116.25 116.55 1sct h VAL 93 Ca -0.00 -1.47 0.06 0.00 0.82 0.00 0.00 66.70 66.11 1sct h VAL 93 Cb 0.85 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.82 1sct h VAL 93 CO 0.05 0.41 -0.02 0.58 0.02 0.00 0.00 177.57 178.60 1sct h VAL 94 N -0.32 0.72 -0.49 2.57 2.07 -0.52 -2.35 116.25 117.92 1sct h VAL 94 Ca -0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1sct h VAL 94 Cb 0.72 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1sct h VAL 94 CO 0.03 0.01 0.33 -0.33 0.02 0.00 0.00 177.57 177.63 1sct h GLU 95 N 0.07 0.65 0.23 1.57 5.08 -1.26 0.21 114.58 121.13 1sct h GLU 95 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1sct h GLU 95 Cb 0.24 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1sct h GLU 95 CO -0.31 0.43 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.80 1sct h LYS 96 N 0.67 -0.30 0.00 2.33 1.63 -0.90 -2.56 116.57 117.44 1sct h LYS 96 Ca 0.18 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1sct h LYS 96 Cb -0.08 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1sct h LYS 96 CO -0.04 -0.08 -0.21 0.74 -3.45 0.00 0.00 179.45 176.41 1sct h PHE 97 N -0.47 0.00 -0.24 1.91 0.04 -0.93 -3.13 116.94 114.12 1sct h PHE 97 Ca -0.03 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 1sct h PHE 97 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 1sct h PHE 97 CO -0.02 0.21 -0.22 0.00 -0.60 0.00 0.00 178.31 177.68 1sct h ALA 98 N 1.79 0.35 -0.00 2.45 0.00 -0.49 -2.74 119.26 120.62 1sct h ALA 98 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sct h ALA 98 Cb 0.64 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1sct h ALA 98 CO 0.03 0.31 0.01 -0.24 0.00 0.00 0.00 179.25 179.35 1sct h VAL 99 N 0.28 0.49 -0.16 0.00 3.04 -1.40 -0.21 116.25 118.29 1sct h VAL 99 Ca 0.04 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.58 1sct h VAL 99 Cb 0.77 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1sct h VAL 99 CO 0.06 0.00 -0.54 0.78 -1.01 0.00 0.00 177.57 176.86 1sct h ASN 100 N 0.00 0.51 0.39 3.17 4.21 -1.55 -1.48 115.58 120.84 1sct h ASN 100 Ca 0.00 -0.27 -0.32 0.00 1.21 0.00 0.00 56.30 56.93 1sct h ASN 100 Cb 0.01 -0.15 0.02 0.00 -1.12 0.00 0.00 38.32 37.08 1sct h ASN 100 CO -0.00 0.95 -1.48 0.45 -1.29 0.00 0.00 177.43 176.06 1sct h HIS 101 N 0.36 0.70 0.04 1.19 3.86 -1.18 -3.26 115.15 116.85 1sct h HIS 101 Ca 0.01 -0.51 -0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1sct h HIS 101 Cb 1.06 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1sct h HIS 101 CO 0.04 1.47 -0.02 0.82 0.86 0.00 0.00 177.93 181.10 1sct h ILE 102 N 0.10 0.98 0.00 2.45 2.04 -1.05 -0.17 117.51 121.86 1sct h ILE 102 Ca -0.24 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1sct h ILE 102 Cb 2.08 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1sct h ILE 102 CO 0.22 0.01 0.00 0.59 0.00 0.00 0.00 178.15 178.97 1sct n ASN 103 N -5.10 0.00 -0.22 1.72 4.13 -0.56 -0.76 115.26 114.47 1sct n ASN 103 Ca -0.07 -0.75 0.08 0.00 1.68 0.00 0.00 54.58 55.51 1sct n ASN 103 Cb 0.06 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.43 1sct n ASN 103 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1sct n ARG 104 N -0.81 1.91 -3.11 3.52 1.74 -0.16 -5.01 116.66 114.74 1sct n ARG 104 Ca 0.08 -2.42 -0.19 0.00 -0.77 0.00 0.00 57.85 54.55 1sct n ARG 104 Cb 0.04 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1sct n ARG 104 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1sct n LYS 105 N -1.04 -3.08 -3.29 5.56 -0.00 0.06 -4.96 118.16 111.41 1sct n LYS 105 Ca 0.14 0.47 -0.40 0.00 -0.00 0.00 0.00 58.31 58.53 1sct n LYS 105 Cb 0.61 -5.14 -0.08 0.00 -0.00 0.00 0.00 35.03 30.41 1sct n LYS 105 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1sct s ILE 106 N -2.81 5.11 0.74 0.58 -1.09 -0.68 -5.02 121.20 118.03 1sct s ILE 106 Ca 0.29 0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1sct s ILE 106 Cb -0.15 -3.79 0.08 0.00 -1.58 0.00 0.00 42.46 37.02 1sct s ILE 106 CO 0.35 0.12 1.05 -0.94 -1.23 0.00 0.00 174.94 174.29 1sct s SER 107 N 1.52 4.59 0.18 3.58 1.04 -1.26 -4.30 113.70 119.05 1sct s SER 107 Ca 0.19 0.38 -0.13 0.00 0.48 0.00 0.00 55.95 56.88 1sct s SER 107 Cb -0.16 -0.94 0.09 0.00 0.10 0.00 0.00 66.02 65.11 1sct s SER 107 CO 0.09 -1.75 1.85 1.23 0.98 0.00 0.00 173.24 175.64 1sct h GLY 108 N -0.72 0.81 0.66 7.32 0.00 -1.82 0.50 103.07 109.82 1sct h GLY 108 Ca -0.44 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 46.60 1sct h GLY 108 CO 0.57 0.29 -0.23 -0.55 0.00 0.00 0.00 176.54 176.62 1sct h ASP 109 N 0.78 -0.64 -0.69 0.19 5.19 -1.95 -0.84 116.42 118.45 1sct h ASP 109 Ca 0.21 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.67 1sct h ASP 109 Cb -0.08 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1sct h ASP 109 CO -0.05 -0.33 0.35 0.00 -3.12 0.00 0.00 179.24 176.09 1sct h ALA 110 N 0.26 1.27 -0.79 3.45 0.00 -1.91 -2.49 119.26 119.05 1sct h ALA 110 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1sct h ALA 110 Cb 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1sct h ALA 110 CO -0.09 0.57 0.51 0.35 0.00 0.00 0.00 179.25 180.59 1sct h PHE 111 N 1.01 0.97 0.00 0.00 3.57 0.10 -2.53 116.94 120.05 1sct h PHE 111 Ca 0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1sct h PHE 111 Cb 0.09 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1sct h PHE 111 CO 0.01 0.58 0.01 0.78 -2.23 0.00 0.00 178.31 177.46 1sct h GLY 112 N 1.02 0.00 1.43 2.40 0.00 -0.71 -2.33 103.07 104.88 1sct h GLY 112 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1sct h GLY 112 CO -0.09 0.00 0.25 0.00 0.00 0.00 0.00 176.54 176.69 1sct h ALA 113 N 1.97 1.21 0.00 3.60 0.00 -1.52 -1.21 119.26 123.31 1sct h ALA 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sct h ALA 113 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sct h ALA 113 CO 0.00 -0.21 0.00 0.97 0.00 0.00 0.00 179.25 180.01 1sct h ILE 114 N 0.00 0.00 0.00 0.00 6.09 -1.66 -3.38 117.51 118.56 1sct h ILE 114 Ca 0.00 -0.66 -0.17 0.00 -1.37 0.00 0.00 64.86 62.66 1sct h ILE 114 Cb 0.49 1.63 -0.02 0.00 0.47 0.00 0.00 36.82 39.39 1sct h ILE 114 CO 0.00 0.00 -0.81 -0.37 -3.07 0.00 0.00 178.15 173.90 1sct h VAL 115 N 0.00 1.55 -0.11 2.19 -1.51 -1.48 0.37 116.25 117.27 1sct h VAL 115 Ca 0.00 -2.70 -0.24 0.00 -1.23 0.00 0.00 66.70 62.53 1sct h VAL 115 Cb 0.79 2.47 0.01 0.00 -2.13 0.00 0.00 31.29 32.43 1sct h VAL 115 CO 0.00 0.78 -0.85 -0.33 -1.23 0.00 0.00 177.57 175.93 1sct h GLU 116 N 0.03 0.77 -0.71 5.19 4.39 -1.81 0.33 114.58 122.75 1sct h GLU 116 Ca -0.02 -0.68 0.15 0.00 0.34 0.00 0.00 59.36 59.15 1sct h GLU 116 Cb 1.43 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 30.14 1sct h GLU 116 CO 0.11 1.28 0.19 -1.35 -1.16 0.00 0.00 179.01 178.08 1sct h PRO 117 N 0.49 0.28 -0.42 2.33 0.11 -1.73 -1.10 132.00 131.97 1sct h PRO 117 Ca -0.08 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1sct h PRO 117 Cb 1.49 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.52 1sct h PRO 117 CO 0.17 0.19 0.13 1.98 -0.21 0.00 0.00 178.00 180.26 1sct h MET 118 N 0.29 0.65 -0.81 1.05 1.85 -0.79 -1.66 114.93 115.52 1sct h MET 118 Ca 0.40 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 59.34 1sct h MET 118 Cb 0.65 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.55 1sct h MET 118 CO -0.47 0.64 0.48 -0.22 -0.40 0.00 0.00 176.91 176.94 1sct h LYS 119 N 0.53 1.11 -0.20 0.39 3.64 -0.22 -2.12 116.57 119.71 1sct h LYS 119 Ca 0.14 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1sct h LYS 119 Cb 0.26 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1sct h LYS 119 CO -0.00 0.79 -0.38 0.93 -2.27 0.00 0.00 179.45 178.52 1sct h GLU 120 N 1.12 0.43 0.04 1.90 4.39 -0.95 -2.26 114.58 119.25 1sct h GLU 120 Ca 0.29 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1sct h GLU 120 Cb -0.02 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1sct h GLU 120 CO -0.05 0.75 -0.02 1.15 -1.16 0.00 0.00 179.01 179.68 1sct h THR 121 N 0.36 1.05 -0.85 1.13 2.02 -1.11 -1.44 112.91 114.06 1sct h THR 121 Ca 0.04 -0.29 0.13 0.00 0.77 0.00 0.00 66.41 67.06 1sct h THR 121 Cb 0.83 1.24 -0.09 0.00 -1.74 0.00 0.00 68.15 68.40 1sct h THR 121 CO 0.07 0.07 0.46 -0.07 0.37 0.00 0.00 175.52 176.42 1sct h LEU 122 N -0.18 0.60 0.38 2.58 3.38 -1.26 -1.34 115.31 119.47 1sct h LEU 122 Ca -0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1sct h LEU 122 Cb 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1sct h LEU 122 CO 0.01 0.29 -0.18 0.11 0.09 0.00 0.00 178.44 178.75 1sct h LYS 123 N 0.70 -0.49 -0.91 1.13 1.57 -1.29 0.75 116.57 118.02 1sct h LYS 123 Ca 0.45 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1sct h LYS 123 Cb 0.57 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1sct h LYS 123 CO -0.32 -0.28 0.56 0.00 -0.57 0.00 0.00 179.45 178.83 1sct h ALA 124 N 0.01 1.26 0.00 3.86 0.00 -0.80 -3.16 119.26 120.43 1sct h ALA 124 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sct h ALA 124 Cb 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sct h ALA 124 CO 0.09 0.64 -0.79 0.54 0.00 0.00 0.00 179.25 179.72 1sct n ARG 125 N -4.36 0.24 0.00 0.00 1.74 -0.55 -4.08 116.66 109.65 1sct n ARG 125 Ca 0.10 0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.28 1sct n ARG 125 Cb 0.05 -1.61 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 1sct n ARG 125 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1sct n MET 126 N -1.94 2.04 0.00 5.56 2.81 0.25 -4.93 117.12 120.92 1sct n MET 126 Ca 0.03 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1sct n MET 126 Cb 0.42 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 1.28 3.62 0.00 3.03 0.00 -1.20 -1.65 105.19 110.27 1sct n GLY 127 Ca 0.04 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1sct n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sct n ASN 128 N 5.20 0.00 -0.35 1.61 5.15 -1.26 -2.25 115.26 123.36 1sct n ASN 128 Ca 0.00 -0.06 0.13 0.00 -0.60 0.00 0.00 54.58 54.05 1sct n ASN 128 Cb 0.00 -0.27 0.45 0.00 -0.53 0.00 0.00 39.78 39.43 1sct n ASN 128 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1sct n TYR 129 N -1.27 0.00 -2.11 1.20 4.01 -0.66 -4.91 117.16 113.43 1sct n TYR 129 Ca 0.11 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.51 1sct n TYR 129 Cb 0.17 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.28 2.82 0.13 -0.72 5.04 -0.95 -5.01 117.35 116.38 1sct s TYR 130 Ca 0.31 1.54 -0.17 0.00 -2.44 0.00 0.00 57.07 56.31 1sct s TYR 130 Cb 0.20 -3.13 0.04 0.00 0.35 0.00 0.00 41.96 39.42 1sct s TYR 130 CO 0.44 -1.32 0.43 -1.54 -1.34 0.00 0.00 175.55 172.21 1sct s SER 131 N -2.36 -0.28 0.51 4.32 1.04 -1.26 -5.02 113.70 110.65 1sct s SER 131 Ca 0.67 -0.28 0.28 0.00 0.48 0.00 0.00 55.95 57.10 1sct s SER 131 Cb -0.19 0.49 1.33 0.00 0.10 0.00 0.00 66.02 67.75 1sct s SER 131 CO 0.33 -0.87 2.01 0.44 0.98 0.00 0.00 173.24 176.12 1sct h ASP 132 N 2.32 0.00 -0.91 7.02 3.32 -1.99 0.33 116.42 126.49 1sct h ASP 132 Ca -0.34 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.78 1sct h ASP 132 Cb 1.26 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 1sct h ASP 132 CO 0.46 0.14 0.59 0.44 -1.72 0.00 0.00 179.24 179.15 1sct h ASP 133 N 0.00 0.90 -0.11 6.45 5.19 -1.98 -0.09 116.42 126.78 1sct h ASP 133 Ca -0.00 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1sct h ASP 133 Cb 0.46 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 1sct h ASP 133 CO 0.02 0.57 -0.05 0.58 -3.12 0.00 0.00 179.24 177.24 1sct h VAL 134 N 1.02 1.31 -0.69 -1.35 2.07 -0.72 -1.58 116.25 116.31 1sct h VAL 134 Ca 0.40 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1sct h VAL 134 Cb 0.23 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1sct h VAL 134 CO -0.16 0.30 0.46 0.00 0.02 0.00 0.00 177.57 178.19 1sct h ALA 135 N 0.66 1.83 -0.45 1.67 0.00 -1.08 -2.59 119.26 119.30 1sct h ALA 135 Ca 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1sct h ALA 135 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sct h ALA 135 CO 0.02 0.04 -0.24 0.78 0.00 0.00 0.00 179.25 179.85 1sct h GLY 136 N 0.62 1.04 1.73 0.00 0.00 -0.75 -1.57 103.07 104.15 1sct h GLY 136 Ca 0.31 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 1sct h GLY 136 CO -0.10 0.86 -0.35 0.00 0.00 0.00 0.00 176.54 176.95 1sct h ALA 137 N 0.84 1.12 -0.21 3.60 0.00 -0.90 -2.36 119.26 121.36 1sct h ALA 137 Ca 0.10 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1sct h ALA 137 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1sct h ALA 137 CO 0.07 0.56 -0.59 -1.49 0.00 0.00 0.00 179.25 177.81 1sct h TRP 138 N 0.27 1.00 -0.73 0.00 4.06 -1.32 -1.45 115.95 117.78 1sct h TRP 138 Ca 0.03 -0.39 0.02 0.00 2.06 0.00 0.00 58.89 60.61 1sct h TRP 138 Cb 0.75 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.70 1sct h TRP 138 CO 0.02 1.21 0.48 0.00 -3.56 0.00 0.00 178.44 176.59 1sct h ALA 139 N 0.60 1.53 -0.48 1.49 0.00 -1.15 0.12 119.26 121.37 1sct h ALA 139 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1sct h ALA 139 Cb 1.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1sct h ALA 139 CO 0.13 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1sct h ALA 140 N 1.56 0.65 -0.59 0.00 0.00 -1.32 0.36 119.26 119.92 1sct h ALA 140 Ca 0.28 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1sct h ALA 140 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1sct h ALA 140 CO -0.07 0.45 0.19 1.25 0.00 0.00 0.00 179.25 181.07 1sct h LEU 141 N 0.71 0.86 -1.88 0.00 5.85 -0.04 -1.53 115.31 119.28 1sct h LEU 141 Ca 0.14 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1sct h LEU 141 Cb 0.51 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1sct h LEU 141 CO 0.02 0.84 -0.10 0.58 -0.34 0.00 0.00 178.44 179.44 1sct h VAL 142 N 0.84 0.95 -0.69 1.05 2.07 -0.48 -1.59 116.25 118.41 1sct h VAL 142 Ca 0.19 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1sct h VAL 142 Cb 0.28 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1sct h VAL 142 CO -0.01 0.10 0.33 1.23 0.02 0.00 0.00 177.57 179.24 1sct h GLY 143 N 0.35 1.04 1.16 2.17 0.00 0.13 -0.87 103.07 107.05 1sct h GLY 143 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1sct h GLY 143 CO 0.01 0.47 0.32 -2.08 0.00 0.00 0.00 176.54 175.27 1sct h VAL 144 N 0.97 1.24 -0.08 4.60 2.07 -1.06 -1.24 116.25 122.76 1sct h VAL 144 Ca 0.24 -0.72 -0.23 0.00 0.82 0.00 0.00 66.70 66.81 1sct h VAL 144 Cb 0.10 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1sct h VAL 144 CO -0.03 0.30 -0.86 0.58 0.02 0.00 0.00 177.57 177.58 1sct h VAL 145 N 1.06 1.32 -0.21 2.57 2.07 -1.44 -3.17 116.25 118.45 1sct h VAL 145 Ca 0.25 -2.15 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 1sct h VAL 145 Cb 0.15 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1sct h VAL 145 CO -0.03 0.66 -0.09 1.56 0.02 0.00 0.00 177.57 179.70 1sct h GLN 146 N 0.40 0.32 0.00 1.57 4.20 -0.87 -2.14 115.11 118.59 1sct h GLN 146 Ca -0.07 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1sct h GLN 146 Cb 1.48 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.22 1sct h GLN 146 CO 0.16 0.42 -0.09 0.00 -0.67 0.00 0.00 178.83 178.66 1sct h ALA 147 N 1.61 1.06 0.00 3.87 0.00 -1.22 -3.07 119.26 121.51 1sct h ALA 147 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sct h ALA 147 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sct h ALA 147 CO 0.02 0.11 -0.47 0.00 0.00 0.00 0.00 179.25 178.91 1sct n ALA 148 N -2.16 2.96 1.33 0.00 0.00 -0.82 -4.36 120.51 117.45 1sct n ALA 148 Ca -0.00 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.33 1sct n ALA 148 Cb 0.31 -1.22 0.38 0.00 0.00 0.00 0.00 19.45 18.92 1sct n ALA 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78