#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 0.70 -0.11 4.52 5.19 -1.96 0.19 116.42 124.95 1sct h ASP 2 Ca 0.00 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1sct h ASP 2 Cb 0.00 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 1sct h ASP 2 CO 0.00 0.35 -0.10 0.00 -3.12 0.00 0.00 179.24 176.37 1sct h ALA 3 N 1.59 0.17 -0.54 3.45 0.00 -2.02 -2.03 119.26 119.87 1sct h ALA 3 Ca 0.46 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1sct h ALA 3 Cb 0.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1sct h ALA 3 CO -0.22 0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.05 1sct h ALA 4 N 0.60 0.73 -0.66 0.00 0.00 -1.49 -0.58 119.26 117.86 1sct h ALA 4 Ca 0.02 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1sct h ALA 4 Cb 0.61 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1sct h ALA 4 CO 0.03 0.53 0.39 0.28 0.00 0.00 0.00 179.25 180.48 1sct h VAL 5 N 0.82 1.03 -0.48 0.00 2.07 -0.68 -2.22 116.25 116.79 1sct h VAL 5 Ca 0.16 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1sct h VAL 5 Cb 0.51 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1sct h VAL 5 CO 0.02 0.14 0.20 0.00 0.02 0.00 0.00 177.57 177.95 1sct h ALA 6 N 1.31 0.63 -0.53 1.67 0.00 -1.13 0.07 119.26 121.28 1sct h ALA 6 Ca 0.28 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1sct h ALA 6 Cb 0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.59 1sct h ALA 6 CO -0.14 0.23 -0.23 -0.22 0.00 0.00 0.00 179.25 178.90 1sct h LYS 7 N 0.64 -0.10 0.05 0.00 3.11 -0.49 -0.50 116.57 119.27 1sct h LYS 7 Ca 0.16 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1sct h LYS 7 Cb 0.19 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1sct h LYS 7 CO -0.01 -0.06 -0.02 0.28 -2.81 0.00 0.00 179.45 176.82 1sct h VAL 8 N -0.10 1.27 -0.20 2.00 2.07 -1.10 -3.20 116.25 116.99 1sct h VAL 8 Ca 0.24 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 1sct h VAL 8 Cb 0.48 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1sct h VAL 8 CO -0.60 0.37 -0.25 0.00 0.02 0.00 0.00 177.57 177.11 1sct n GLY 10 N -0.47 -1.18 3.42 0.00 0.00 -0.20 -4.74 105.19 102.02 1sct n GLY 10 Ca -0.01 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.59 4.91 0.11 1.61 0.15 -0.87 -4.97 113.70 112.06 1sct s SER 11 Ca 0.25 -0.24 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 1sct s SER 11 Cb 0.18 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.56 1sct s SER 11 CO 0.41 -0.01 1.72 -0.08 1.20 0.00 0.00 173.24 176.49 1sct h GLU 12 N 8.02 0.31 -0.45 5.44 4.57 -1.85 0.53 114.58 131.15 1sct h GLU 12 Ca -0.38 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 57.65 1sct h GLU 12 Cb 1.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1sct h GLU 12 CO 0.59 0.28 -0.17 0.00 -1.18 0.00 0.00 179.01 178.53 1sct h ALA 13 N 1.02 0.62 -0.22 2.92 0.00 -1.94 0.16 119.26 121.82 1sct h ALA 13 Ca 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1sct h ALA 13 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sct h ALA 13 CO -0.01 0.57 -0.02 0.82 0.00 0.00 0.00 179.25 180.61 1sct h ILE 14 N 0.74 1.26 -0.67 0.00 2.04 -1.87 -0.75 117.51 118.26 1sct h ILE 14 Ca 0.10 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1sct h ILE 14 Cb 0.73 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1sct h ILE 14 CO 0.06 0.29 0.40 0.11 0.00 0.00 0.00 178.15 179.00 1sct h LYS 15 N 0.15 0.92 -0.56 2.37 1.57 -0.38 -2.16 116.57 118.48 1sct h LYS 15 Ca 0.06 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1sct h LYS 15 Cb 0.43 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1sct h LYS 15 CO 0.01 0.66 0.28 0.00 -0.57 0.00 0.00 179.45 179.84 1sct h ALA 16 N 1.20 0.71 -0.57 3.86 0.00 -0.52 -2.21 119.26 121.74 1sct h ALA 16 Ca 0.24 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1sct h ALA 16 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1sct h ALA 16 CO -0.04 0.26 -0.02 -0.91 0.00 0.00 0.00 179.25 178.53 1sct h ASN 17 N 0.75 0.98 -0.52 0.00 2.35 -0.83 -0.06 115.58 118.26 1sct h ASN 17 Ca 0.19 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1sct h ASN 17 Cb 0.09 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1sct h ASN 17 CO -0.03 1.05 0.04 -0.07 -1.65 0.00 0.00 177.43 176.77 1sct h LEU 18 N 0.91 0.86 -0.14 1.61 3.38 -1.32 -1.42 115.31 119.19 1sct h LEU 18 Ca 0.16 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1sct h LEU 18 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1sct h LEU 18 CO 0.03 0.93 -0.34 0.03 0.09 0.00 0.00 178.44 179.18 1sct h ARG 19 N 0.76 0.47 -0.47 1.13 3.08 -1.19 -0.44 114.38 117.71 1sct h ARG 19 Ca 0.15 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1sct h ARG 19 Cb 0.47 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1sct h ARG 19 CO 0.02 0.94 -0.05 0.07 -1.07 0.00 0.00 179.97 179.87 1sct h ARG 20 N 0.08 0.82 0.00 0.04 0.11 -1.01 -1.77 114.38 112.64 1sct h ARG 20 Ca -0.00 -0.25 -0.15 0.00 0.10 0.00 0.00 59.98 59.67 1sct h ARG 20 Cb 0.95 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.93 1sct h ARG 20 CO 0.07 0.86 -0.72 0.66 0.10 0.00 0.00 179.97 180.95 1sct h SER 21 N 0.76 0.00 -0.42 0.08 4.64 -1.21 -2.76 113.55 114.64 1sct h SER 21 Ca 0.14 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 1sct h SER 21 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1sct h SER 21 CO 0.03 0.72 0.01 -0.25 -0.87 0.00 0.00 176.83 176.47 1sct h TRP 22 N 0.00 0.87 -0.74 4.77 2.91 -0.84 -1.57 115.95 121.34 1sct h TRP 22 Ca -0.01 -0.12 0.12 0.00 1.13 0.00 0.00 58.89 60.01 1sct h TRP 22 Cb 1.28 -0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.61 1sct h TRP 22 CO 0.00 0.79 0.34 0.78 -1.03 0.00 0.00 178.44 179.33 1sct h GLY 23 N 0.98 1.13 0.77 2.65 0.00 -1.02 0.13 103.07 107.70 1sct h GLY 23 Ca 0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1sct h GLY 23 CO 0.02 -0.01 -0.35 -2.08 0.00 0.00 0.00 176.54 174.11 1sct h VAL 24 N 0.55 1.39 0.00 4.60 2.07 -1.46 -3.29 116.25 120.11 1sct h VAL 24 Ca 0.39 -1.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1sct h VAL 24 Cb 0.50 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1sct h VAL 24 CO -0.33 0.50 -0.25 -0.07 0.02 0.00 0.00 177.57 177.44 1sct h LEU 25 N -0.02 0.00 0.00 2.57 4.07 -0.52 -2.16 115.31 119.25 1sct h LEU 25 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1sct h LEU 25 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1sct h LEU 25 CO 0.07 0.25 0.00 -1.54 -1.08 0.00 0.00 178.44 176.15 1sct n SER 26 N -4.20 0.00 0.22 -0.43 3.41 0.38 -2.36 113.62 110.64 1sct n SER 26 Ca -0.02 0.11 0.07 0.00 -0.26 0.00 0.00 58.87 58.77 1sct n SER 26 Cb 0.31 -0.35 0.57 0.00 -0.26 0.00 0.00 64.21 64.48 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 3.04 1.88 -2.19 7.33 0.00 -1.46 -3.34 119.26 124.51 1sct h ALA 27 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1sct h ALA 27 Cb 0.28 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.71 1sct h ALA 27 CO 0.00 0.10 -0.68 0.34 0.00 0.00 0.00 179.25 179.01 1sct s ASP 28 N -7.01 1.82 0.07 0.00 -1.08 -0.99 -5.02 116.67 104.45 1sct s ASP 28 Ca -0.05 -1.11 -0.25 0.00 -0.52 0.00 0.00 52.55 50.61 1sct s ASP 28 Cb 0.17 0.38 -0.16 0.00 -1.46 0.00 0.00 42.92 41.84 1sct s ASP 28 CO 0.69 -0.36 1.66 0.40 0.52 0.00 0.00 175.17 178.08 1sct h ILE 29 N 5.89 0.89 -0.74 4.11 1.08 -1.70 -2.16 117.51 124.89 1sct h ILE 29 Ca -0.08 -0.11 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1sct h ILE 29 Cb 1.06 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1sct h ILE 29 CO 0.31 0.03 0.27 -0.08 -0.69 0.00 0.00 178.15 177.98 1sct h GLU 30 N -0.24 1.12 -0.61 2.37 4.81 -1.92 -2.85 114.58 117.25 1sct h GLU 30 Ca -0.02 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1sct h GLU 30 Cb 0.19 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1sct h GLU 30 CO 0.03 0.93 0.15 0.00 -0.73 0.00 0.00 179.01 179.39 1sct h ALA 31 N 1.13 0.80 -0.49 2.92 0.00 -1.93 -2.09 119.26 119.60 1sct h ALA 31 Ca 0.24 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1sct h ALA 31 Cb 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1sct h ALA 31 CO -0.01 0.51 0.10 1.15 0.00 0.00 0.00 179.25 181.00 1sct h THR 32 N 0.88 0.73 -0.32 0.00 2.02 -1.33 0.22 112.91 115.12 1sct h THR 32 Ca 0.19 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 1sct h THR 32 Cb 0.36 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1sct h THR 32 CO 0.00 0.04 -0.26 1.23 0.37 0.00 0.00 175.52 176.90 1sct h GLY 33 N 0.24 0.80 0.92 2.16 0.00 -1.38 0.15 103.07 105.97 1sct h GLY 33 Ca 0.24 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1sct h GLY 33 CO -0.31 0.72 -0.03 1.41 0.00 0.00 0.00 176.54 178.32 1sct h LEU 34 N 0.50 0.64 -0.60 3.11 -0.00 -1.26 -1.53 115.31 116.17 1sct h LEU 34 Ca 0.06 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.88 57.58 1sct h LEU 34 Cb 0.83 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 1sct h LEU 34 CO 0.07 0.81 0.25 -0.03 -0.00 0.00 0.00 178.44 179.54 1sct h MET 35 N 0.45 0.89 -0.55 1.13 4.05 -0.36 -1.23 114.93 119.31 1sct h MET 35 Ca 0.10 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1sct h MET 35 Cb 0.50 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1sct h MET 35 CO 0.02 0.76 0.33 1.25 0.23 0.00 0.00 176.91 179.50 1sct h LEU 36 N 0.83 0.66 -0.54 3.39 6.46 -0.52 -2.12 115.31 123.48 1sct h LEU 36 Ca 0.20 -0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.76 1sct h LEU 36 Cb 0.19 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1sct h LEU 36 CO -0.02 0.52 -0.39 0.24 -0.62 0.00 0.00 178.44 178.17 1sct h MET 37 N 0.74 0.75 0.09 1.25 2.86 -1.00 -1.70 114.93 117.92 1sct h MET 37 Ca 0.20 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1sct h MET 37 Cb -0.02 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1sct h MET 37 CO -0.04 1.01 -0.37 1.03 1.06 0.00 0.00 176.91 179.61 1sct h SER 38 N 0.62 -1.08 0.04 1.22 0.87 -1.06 -2.41 113.55 111.74 1sct h SER 38 Ca 0.05 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1sct h SER 38 Cb 0.94 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1sct h SER 38 CO 0.09 -0.44 -0.07 0.78 -0.53 0.00 0.00 176.83 176.65 1sct h ASN 39 N -0.58 0.08 0.27 6.23 2.35 -1.23 -0.58 115.58 122.12 1sct h ASN 39 Ca 0.03 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1sct h ASN 39 Cb 0.62 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1sct h ASN 39 CO -0.23 0.17 -0.13 0.25 -1.65 0.00 0.00 177.43 175.84 1sct h LEU 40 N 0.09 -0.31 -0.59 1.61 5.85 -0.96 0.64 115.31 121.63 1sct h LEU 40 Ca 0.02 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1sct h LEU 40 Cb 0.19 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1sct h LEU 40 CO 0.01 -0.13 0.00 -0.26 -0.34 0.00 0.00 178.44 177.72 1sct h PHE 41 N -0.46 0.00 0.07 1.25 0.04 -0.96 0.78 116.94 117.65 1sct h PHE 41 Ca -0.04 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.48 1sct h PHE 41 Cb 0.35 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1sct h PHE 41 CO -0.03 0.00 -1.33 1.15 -0.60 0.00 0.00 178.31 177.50 1sct h THR 42 N 0.00 1.00 0.00 -1.55 2.02 -1.10 -3.21 112.91 110.07 1sct h THR 42 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1sct h THR 42 Cb 0.78 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1sct h THR 42 CO 0.00 0.59 -0.32 -0.07 0.37 0.00 0.00 175.52 176.09 1sct h LEU 43 N -0.54 0.00 -6.15 2.58 3.38 -0.89 -3.38 115.31 110.31 1sct h LEU 43 Ca -0.31 -0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.08 1sct h LEU 43 Cb 1.58 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.94 1sct h LEU 43 CO -0.03 0.00 -0.97 0.54 0.09 0.00 0.00 178.44 178.07 1sct n ARG 44 N -2.96 0.99 0.30 1.13 5.12 0.26 -4.97 116.66 116.54 1sct n ARG 44 Ca 0.03 -3.53 0.17 0.00 -1.93 0.00 0.00 57.85 52.59 1sct n ARG 44 Cb 0.54 -1.52 0.97 0.00 -1.16 0.00 0.00 32.46 31.28 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 4.37 0.00 0.00 5.56 0.11 -1.70 0.16 132.00 140.49 1sct h PRO 45 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 1sct h PRO 45 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sct h PRO 45 CO 0.52 0.00 -0.07 0.38 -0.21 0.00 0.00 178.00 178.62 1sct h ASP 46 N 0.00 0.00 1.12 -2.05 2.03 -1.89 -3.03 116.42 112.60 1sct h ASP 46 Ca 0.01 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.29 1sct h ASP 46 Cb 0.04 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1sct h ASP 46 CO -0.00 0.07 -0.09 0.71 -1.03 0.00 0.00 179.24 178.90 1sct h THR 47 N 0.00 0.22 -0.99 1.15 1.35 -0.98 -3.23 112.91 110.42 1sct h THR 47 Ca -0.00 -0.83 0.26 0.00 -0.55 0.00 0.00 66.41 65.30 1sct h THR 47 Cb 0.19 1.68 -0.06 0.00 -1.73 0.00 0.00 68.15 68.23 1sct h THR 47 CO 0.01 0.09 0.68 0.11 -0.25 0.00 0.00 175.52 176.16 1sct h LYS 48 N 0.00 0.20 0.00 4.72 1.57 -1.72 -1.94 116.57 119.39 1sct h LYS 48 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1sct h LYS 48 Cb 0.68 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1sct h LYS 48 CO 0.01 0.13 -0.04 1.15 -0.57 0.00 0.00 179.45 180.14 1sct h THR 49 N 0.21 0.67 0.00 -0.16 2.02 -1.82 -1.65 112.91 112.17 1sct h THR 49 Ca 0.51 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1sct h THR 49 Cb 1.63 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1sct h THR 49 CO -0.13 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.58 1sct n TYR 50 N -3.98 0.34 -1.20 3.16 4.01 -0.73 -3.82 117.16 114.95 1sct n TYR 50 Ca -0.03 0.11 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 1sct n TYR 50 Cb 0.12 -0.68 0.24 0.00 -0.31 0.00 0.00 39.34 38.72 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 -1.79 1.43 -0.25 -0.72 3.72 -0.62 -4.76 117.46 114.46 1sct n PHE 51 Ca 0.06 -1.29 0.01 0.00 -0.05 0.00 0.00 57.45 56.17 1sct n PHE 51 Cb 0.32 -0.50 0.23 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.58 1.18 -0.86 4.37 1.35 -1.70 0.15 112.91 118.98 1sct h THR 52 Ca 0.18 -0.37 0.22 0.00 -0.55 0.00 0.00 66.41 65.89 1sct h THR 52 Cb 1.80 0.02 -0.13 0.00 -1.73 0.00 0.00 68.15 68.11 1sct h THR 52 CO 0.45 0.19 0.29 -0.09 -0.25 0.00 0.00 175.52 176.11 1sct h ARG 53 N 1.06 0.29 0.00 4.72 2.43 -1.93 0.48 114.38 121.43 1sct h ARG 53 Ca 0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1sct h ARG 53 Cb -0.07 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1sct h ARG 53 CO -0.08 0.19 0.00 -0.07 -1.51 0.00 0.00 179.97 178.50 1sct h LEU 54 N 0.29 0.00 0.00 3.80 3.38 -1.08 -3.48 115.31 118.23 1sct h LEU 54 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1sct h LEU 54 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1sct h LEU 54 CO -0.58 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.56 1sct n GLY 55 N -0.97 0.31 3.57 0.83 0.00 0.16 -4.56 105.19 104.52 1sct n GLY 55 Ca -0.01 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 6.59 0.53 1.61 2.15 -1.26 -4.79 116.67 117.50 1sct s ASP 56 Ca 0.00 -1.76 0.34 0.00 0.43 0.00 0.00 52.55 51.57 1sct s ASP 56 Cb 0.00 -2.57 1.88 0.00 -0.30 0.00 0.00 42.92 41.93 1sct s ASP 56 CO 0.00 -1.42 2.05 -0.37 -0.17 0.00 0.00 175.17 175.26 1sct h VAL 57 N 6.41 0.00 0.00 1.11 -1.51 -1.92 0.24 116.25 120.59 1sct h VAL 57 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 1sct h VAL 57 Cb 0.97 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1sct h VAL 57 CO 1.44 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.45 1sct n GLN 58 N -2.74 0.12 0.01 5.19 -0.06 -1.26 -2.26 117.38 116.38 1sct n GLN 58 Ca -0.02 0.26 0.11 0.00 -2.00 0.00 0.00 57.00 55.35 1sct n GLN 58 Cb 0.09 -1.69 0.49 0.00 -4.06 0.00 0.00 30.24 25.06 1sct n GLN 58 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1sct n LYS 59 N -1.91 0.02 0.00 3.69 5.02 0.07 -4.99 118.16 120.06 1sct n LYS 59 Ca 0.04 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1sct n LYS 59 Cb 0.27 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.87 3.08 0.30 0.72 0.00 -0.96 -2.51 105.19 106.70 1sct n GLY 60 Ca 0.05 -0.28 0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.24 1.61 3.64 -1.94 0.39 116.57 120.03 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 -0.22 0.00 -2.27 0.00 0.00 179.45 176.96 1sct h ALA 62 N 2.00 1.17 -1.71 5.00 0.00 -1.91 -3.39 119.26 120.41 1sct h ALA 62 Ca 0.00 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 1sct h ALA 62 Cb 0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.58 1sct h ALA 62 CO 0.00 0.53 0.66 1.21 0.00 0.00 0.00 179.25 181.65 1sct s ASN 63 N -6.81 6.31 0.44 0.00 3.84 0.13 -4.91 114.94 113.93 1sct s ASN 63 Ca -0.07 -0.40 0.23 0.00 0.21 0.00 0.00 52.86 52.83 1sct s ASN 63 Cb 0.14 -2.46 0.97 0.00 -0.55 0.00 0.00 41.25 39.35 1sct s ASN 63 CO 0.78 -1.35 1.86 0.77 -2.79 0.00 0.00 177.10 176.37 1sct h SER 64 N 9.45 0.00 -0.11 -4.21 4.64 -1.83 -0.45 113.55 121.03 1sct h SER 64 Ca -0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1sct h SER 64 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1sct h SER 64 CO 1.13 0.25 -0.09 0.11 -0.87 0.00 0.00 176.83 177.36 1sct h LYS 65 N 0.00 0.43 -0.01 4.77 1.57 -1.91 -0.60 116.57 120.82 1sct h LYS 65 Ca -0.00 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.45 1sct h LYS 65 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1sct h LYS 65 CO 0.03 0.53 -0.92 1.25 -0.57 0.00 0.00 179.45 179.78 1sct h LEU 66 N 0.40 0.54 -0.14 2.94 5.85 -1.56 -2.69 115.31 120.65 1sct h LEU 66 Ca 0.08 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1sct h LEU 66 Cb 0.42 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1sct h LEU 66 CO 0.02 1.21 0.07 -0.09 -0.34 0.00 0.00 178.44 179.31 1sct h ARG 67 N 0.24 0.20 -0.80 1.25 2.43 -0.85 -1.23 114.38 115.62 1sct h ARG 67 Ca -0.07 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1sct h ARG 67 Cb 1.55 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.01 1sct h ARG 67 CO 0.16 0.25 0.52 0.78 -1.51 0.00 0.00 179.97 180.17 1sct h GLY 68 N 0.10 1.14 0.96 2.80 0.00 -1.15 -2.19 103.07 104.74 1sct h GLY 68 Ca 0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1sct h GLY 68 CO -0.01 0.36 -0.18 0.84 0.00 0.00 0.00 176.54 177.56 1sct h HIS 69 N 1.03 -0.46 -0.25 5.60 -0.00 -1.34 -2.33 115.15 117.39 1sct h HIS 69 Ca 0.31 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.70 1sct h HIS 69 Cb -0.05 0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 1sct h HIS 69 CO -0.02 -0.28 0.05 0.00 -0.00 0.00 0.00 177.93 177.68 1sct h ALA 70 N 0.19 0.26 -0.19 5.26 0.00 -1.00 0.02 119.26 123.80 1sct h ALA 70 Ca -0.04 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sct h ALA 70 Cb 0.38 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1sct h ALA 70 CO 0.06 -0.36 0.02 0.82 0.00 0.00 0.00 179.25 179.78 1sct h ILE 71 N 0.15 0.89 -0.53 0.00 2.04 -1.40 -1.91 117.51 116.74 1sct h ILE 71 Ca 0.11 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1sct h ILE 71 Cb 0.11 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1sct h ILE 71 CO -0.15 0.02 0.31 0.74 0.00 0.00 0.00 178.15 179.06 1sct h THR 72 N 0.09 1.02 -0.79 -0.27 2.02 -1.07 -2.16 112.91 111.75 1sct h THR 72 Ca 0.09 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1sct h THR 72 Cb 0.10 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1sct h THR 72 CO -0.13 0.11 0.49 0.25 0.37 0.00 0.00 175.52 176.61 1sct h LEU 73 N 0.60 0.79 -1.01 2.58 6.46 -0.76 -1.08 115.31 122.89 1sct h LEU 73 Ca 0.22 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1sct h LEU 73 Cb 0.06 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1sct h LEU 73 CO -0.12 0.53 -0.38 0.74 -0.62 0.00 0.00 178.44 178.59 1sct h THR 74 N 0.93 1.29 0.00 1.05 2.02 -0.74 -0.04 112.91 117.42 1sct h THR 74 Ca 0.33 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.02 1sct h THR 74 Cb 0.09 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1sct h THR 74 CO -0.14 0.43 -0.30 1.88 0.37 0.00 0.00 175.52 177.75 1sct h TYR 75 N 0.19 0.00 -0.44 3.16 0.05 -0.88 -1.07 116.97 117.98 1sct h TYR 75 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1sct h TYR 75 Cb 0.76 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 1sct h TYR 75 CO 0.01 0.30 0.20 0.00 -1.05 0.00 0.00 178.16 177.63 1sct h ALA 76 N 1.70 0.57 -0.61 3.88 0.00 0.25 -1.96 119.26 123.09 1sct h ALA 76 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sct h ALA 76 Cb 0.71 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1sct h ALA 76 CO 0.04 0.15 0.28 -0.07 0.00 0.00 0.00 179.25 179.65 1sct h LEU 77 N 0.57 0.78 -0.60 0.00 3.38 -0.91 -1.96 115.31 116.58 1sct h LEU 77 Ca 0.15 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1sct h LEU 77 Cb 0.15 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1sct h LEU 77 CO -0.02 0.68 0.31 -1.13 0.09 0.00 0.00 178.44 178.37 1sct h ASN 78 N 0.86 0.45 -0.38 -0.43 -0.00 -0.91 -1.97 115.58 113.21 1sct h ASN 78 Ca 0.21 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.55 1sct h ASN 78 Cb 0.11 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.36 1sct h ASN 78 CO -0.03 0.29 0.24 -1.13 -0.00 0.00 0.00 177.43 176.81 1sct h ASN 79 N 0.59 0.44 -0.34 1.15 -0.73 -0.71 -2.40 115.58 113.58 1sct h ASN 79 Ca 0.27 -0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.43 1sct h ASN 79 Cb 0.19 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 1sct h ASN 79 CO -0.19 0.34 0.19 -0.26 -0.37 0.00 0.00 177.43 177.15 1sct h PHE 80 N 0.50 0.36 -0.26 0.67 0.04 -0.78 -1.98 116.94 115.49 1sct h PHE 80 Ca 0.14 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 1sct h PHE 80 Cb -0.03 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1sct h PHE 80 CO -0.04 0.21 -0.13 0.28 -0.60 0.00 0.00 178.31 178.02 1sct h VAL 81 N 0.39 1.22 0.00 -0.55 2.07 -1.28 -0.80 116.25 117.31 1sct h VAL 81 Ca 0.14 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1sct h VAL 81 Cb 0.01 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1sct h VAL 81 CO -0.07 0.32 0.00 0.47 0.02 0.00 0.00 177.57 178.31 1sct n ASP 82 N -4.21 0.00 -0.90 0.57 8.00 -0.91 -3.25 116.55 115.85 1sct n ASP 82 Ca 0.00 0.44 0.12 0.00 0.71 0.00 0.00 54.79 56.06 1sct n ASP 82 Cb 0.32 -0.48 0.26 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.48 2.71 0.27 -2.24 7.64 -0.31 -4.57 113.62 115.65 1sct n SER 83 Ca 0.07 -1.88 0.16 0.00 1.01 0.00 0.00 58.87 58.23 1sct n SER 83 Cb 0.29 -0.14 0.69 0.00 -1.01 0.00 0.00 64.21 64.04 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 3.73 0.00 -0.10 -3.43 3.38 -1.54 -2.76 115.31 114.59 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 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1sct h LEU 84 CO 0.00 0.05 -0.54 0.47 0.09 0.00 0.00 178.44 178.52 1sct n ASP 85 N -3.20 0.69 -4.03 -0.43 8.00 -1.26 -4.67 116.55 111.64 1sct n ASP 85 Ca 0.00 -0.48 -0.31 0.00 0.71 0.00 0.00 54.79 54.70 1sct n ASP 85 Cb 0.31 0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 41.60 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 -2.92 4.45 0.26 -2.24 -1.08 -1.04 -4.97 116.67 109.13 1sct s ASP 86 Ca 0.13 -1.58 -0.01 0.00 -0.52 0.00 0.00 52.55 50.57 1sct s ASP 86 Cb 0.18 -1.50 0.52 0.00 -1.46 0.00 0.00 42.92 40.65 1sct s ASP 86 CO 0.70 -0.25 1.78 -0.65 0.52 0.00 0.00 175.17 177.27 1sct h PRO 87 N 7.76 0.69 0.00 4.34 0.11 -1.83 -0.45 132.00 142.63 1sct h PRO 87 Ca -0.15 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.83 1sct h PRO 87 Cb 1.04 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1sct h PRO 87 CO 0.47 0.46 -0.44 0.66 -0.21 0.00 0.00 178.00 178.94 1sct h SER 88 N 0.72 0.00 -0.03 -2.05 4.64 -1.93 0.21 113.55 115.11 1sct h SER 88 Ca 0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.73 1sct h SER 88 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1sct h SER 88 CO -0.33 0.44 -0.17 -0.09 -0.87 0.00 0.00 176.83 175.81 1sct h ARG 89 N 0.00 0.16 -0.80 4.77 2.43 -1.47 -1.68 114.38 117.80 1sct h ARG 89 Ca -0.00 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1sct h ARG 89 Cb 0.87 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 1sct h ARG 89 CO 0.06 0.81 0.48 1.25 -1.51 0.00 0.00 179.97 181.06 1sct h LEU 90 N -0.44 0.72 -0.33 3.80 5.85 -1.01 -1.12 115.31 122.77 1sct h LEU 90 Ca -0.01 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1sct h LEU 90 Cb 0.85 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1sct h LEU 90 CO 0.03 0.45 0.05 0.50 -0.34 0.00 0.00 178.44 179.14 1sct h LYS 91 N 0.85 0.55 0.00 1.25 3.64 -0.88 0.08 116.57 122.06 1sct h LYS 91 Ca 0.36 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1sct h LYS 91 Cb 0.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1sct h LYS 91 CO -0.19 0.63 -0.34 0.00 -2.27 0.00 0.00 179.45 177.28 1sct h VAL 93 N 0.00 1.34 -0.86 0.00 2.07 -0.95 -1.88 116.25 115.97 1sct h VAL 93 Ca -0.00 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1sct h VAL 93 Cb 1.10 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1sct h VAL 93 CO 0.04 0.36 0.53 0.58 0.02 0.00 0.00 177.57 179.11 1sct h VAL 94 N -0.05 1.23 -0.31 2.57 2.07 -0.90 -1.81 116.25 119.05 1sct h VAL 94 Ca 0.03 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1sct h VAL 94 Cb 0.62 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1sct h VAL 94 CO 0.03 0.24 -0.08 -0.33 0.02 0.00 0.00 177.57 177.45 1sct h GLU 95 N 1.18 0.51 0.30 1.57 5.08 -1.28 0.74 114.58 122.68 1sct h GLU 95 Ca 0.31 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1sct h GLU 95 Cb -0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1sct h GLU 95 CO -0.06 0.59 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.18 1sct h LYS 96 N 0.48 -0.39 -0.10 2.33 1.63 -0.81 -2.27 116.57 117.44 1sct h LYS 96 Ca 0.09 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1sct h LYS 96 Cb 0.43 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1sct h LYS 96 CO 0.02 -0.10 -0.25 0.74 -3.45 0.00 0.00 179.45 176.41 1sct h PHE 97 N -0.66 0.19 -0.86 1.91 0.04 -1.22 -2.13 116.94 114.21 1sct h PHE 97 Ca -0.04 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1sct h PHE 97 Cb 0.47 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 1sct h PHE 97 CO 0.01 0.41 0.55 0.00 -0.60 0.00 0.00 178.31 178.68 1sct h ALA 98 N 1.59 1.09 -0.73 2.45 0.00 -0.85 -2.30 119.26 120.51 1sct h ALA 98 Ca 0.03 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1sct h ALA 98 Cb 0.53 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1sct h ALA 98 CO 0.04 0.51 0.44 0.28 0.00 0.00 0.00 179.25 180.52 1sct h VAL 99 N 1.17 1.04 0.00 0.00 2.07 -0.77 -0.78 116.25 118.97 1sct h VAL 99 Ca 0.31 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1sct h VAL 99 Cb -0.10 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1sct h VAL 99 CO -0.06 0.15 -0.13 0.78 0.02 0.00 0.00 177.57 178.33 1sct h ASN 100 N 0.83 0.00 0.61 0.57 -0.26 -1.28 -1.98 115.58 114.07 1sct h ASN 100 Ca 0.31 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.78 1sct h ASN 100 Cb 0.11 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 1sct h ASN 100 CO -0.15 0.13 -1.48 0.45 -1.06 0.00 0.00 177.43 175.32 1sct h HIS 101 N 0.00 0.12 -0.42 1.19 3.86 -1.08 -3.24 115.15 115.58 1sct h HIS 101 Ca -0.00 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.02 1sct h HIS 101 Cb 0.24 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1sct h HIS 101 CO 0.00 1.12 -0.14 0.82 0.86 0.00 0.00 177.93 180.59 1sct h ILE 102 N 0.02 1.26 0.00 2.45 2.04 -0.97 -0.92 117.51 121.40 1sct h ILE 102 Ca -0.20 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1sct h ILE 102 Cb 1.94 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1sct h ILE 102 CO 0.11 0.41 -0.06 0.78 0.00 0.00 0.00 178.15 179.39 1sct h ASN 103 N 0.70 0.00 -0.49 1.72 2.35 -1.45 -1.18 115.58 117.24 1sct h ASN 103 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1sct h ASN 103 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1sct h ASN 103 CO 0.04 0.06 0.00 0.54 -1.65 0.00 0.00 177.43 176.43 1sct n ARG 104 N -3.54 2.55 -3.65 0.81 3.00 -0.66 -4.99 116.66 110.18 1sct n ARG 104 Ca -0.02 -2.37 -0.23 0.00 -0.01 0.00 0.00 57.85 55.21 1sct n ARG 104 Cb 0.18 -1.51 0.06 0.00 0.00 0.00 0.00 32.46 31.20 1sct n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1sct n LYS 105 N 1.47 -6.56 -3.50 5.56 5.02 -0.44 -4.97 118.16 114.72 1sct n LYS 105 Ca 0.20 0.74 -0.39 0.00 -2.02 0.00 0.00 58.31 56.84 1sct n LYS 105 Cb 0.59 -5.66 -0.10 0.00 -0.02 0.00 0.00 35.03 29.84 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 -3.39 5.25 0.96 -0.18 -1.09 -0.44 -5.02 121.20 117.29 1sct s ILE 106 Ca 0.37 0.08 -0.15 0.00 -2.23 0.00 0.00 60.65 58.72 1sct s ILE 106 Cb -0.17 -3.67 0.18 0.00 -1.58 0.00 0.00 42.46 37.22 1sct s ILE 106 CO 0.77 0.09 1.24 -0.94 -1.23 0.00 0.00 174.94 174.87 1sct s SER 107 N 1.73 3.15 0.22 3.58 1.04 -1.26 -4.38 113.70 117.77 1sct s SER 107 Ca 0.09 0.50 -0.07 0.00 0.48 0.00 0.00 55.95 56.95 1sct s SER 107 Cb -0.16 -0.73 0.18 0.00 0.10 0.00 0.00 66.02 65.41 1sct s SER 107 CO 0.11 -2.73 1.77 1.23 0.98 0.00 0.00 173.24 174.60 1sct h GLY 108 N -1.63 1.23 0.79 7.32 0.00 -1.82 -1.18 103.07 107.77 1sct h GLY 108 Ca -0.46 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.16 1sct h GLY 108 CO 0.46 0.65 0.00 -0.55 0.00 0.00 0.00 176.54 177.10 1sct h ASP 109 N 1.10 0.25 -0.65 0.19 3.32 -1.94 -1.60 116.42 117.09 1sct h ASP 109 Ca 0.25 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1sct h ASP 109 Cb 0.26 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1sct h ASP 109 CO -0.01 0.50 0.41 0.00 -1.72 0.00 0.00 179.24 178.41 1sct h ALA 110 N 0.76 0.83 -0.78 3.45 0.00 -1.92 -2.28 119.26 119.33 1sct h ALA 110 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1sct h ALA 110 Cb 0.37 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1sct h ALA 110 CO 0.01 0.29 0.51 0.35 0.00 0.00 0.00 179.25 180.40 1sct h PHE 111 N 0.89 0.82 0.00 0.00 3.57 -0.89 -1.75 116.94 119.57 1sct h PHE 111 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1sct h PHE 111 Cb -0.05 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.42 1sct h PHE 111 CO -0.02 0.42 0.00 0.41 -2.23 0.00 0.00 178.31 176.88 1sct n GLY 112 N -1.44 -0.97 0.32 2.40 0.00 -0.63 -2.59 105.19 102.28 1sct n GLY 112 Ca 0.12 -0.05 0.20 0.00 0.00 0.00 0.00 46.02 46.29 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 2.51 1.05 0.00 4.61 0.00 -1.32 -2.47 119.26 123.64 1sct h ALA 113 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sct h ALA 113 Cb 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sct h ALA 113 CO 0.00 0.01 -0.04 0.97 0.00 0.00 0.00 179.25 180.19 1sct h ILE 114 N 0.00 0.15 -0.37 0.00 6.09 -1.72 -3.35 117.51 118.31 1sct h ILE 114 Ca -0.00 -0.42 0.04 0.00 -1.37 0.00 0.00 64.86 63.11 1sct h ILE 114 Cb 0.14 1.35 -0.04 0.00 0.47 0.00 0.00 36.82 38.75 1sct h ILE 114 CO 0.00 0.04 0.16 0.58 -3.07 0.00 0.00 178.15 175.86 1sct h VAL 115 N 0.00 0.94 0.03 2.19 2.07 -1.71 -0.15 116.25 119.62 1sct h VAL 115 Ca -0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1sct h VAL 115 Cb 0.35 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1sct h VAL 115 CO 0.01 0.06 -0.02 -0.33 0.02 0.00 0.00 177.57 177.31 1sct h GLU 116 N 0.33 -0.04 -0.86 1.57 4.39 -1.83 -1.07 114.58 117.06 1sct h GLU 116 Ca 0.16 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.09 1sct h GLU 116 Cb 0.11 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.63 1sct h GLU 116 CO -0.14 0.40 0.20 -1.35 -1.16 0.00 0.00 179.01 176.96 1sct h PRO 117 N -0.51 0.19 -0.61 2.33 0.11 -1.73 -1.14 132.00 130.65 1sct h PRO 117 Ca -0.00 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1sct h PRO 117 Cb 0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1sct h PRO 117 CO 0.01 0.13 0.18 1.98 -0.21 0.00 0.00 178.00 180.08 1sct h MET 118 N 0.20 0.95 -0.89 1.05 1.85 -0.91 -1.31 114.93 115.87 1sct h MET 118 Ca 0.53 -0.21 -0.01 0.00 -0.61 0.00 0.00 59.70 59.39 1sct h MET 118 Cb 1.05 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.90 1sct h MET 118 CO -0.66 0.85 0.50 -0.22 -0.40 0.00 0.00 176.91 176.99 1sct h LYS 119 N 0.87 1.23 -0.36 0.39 3.64 -0.03 -1.87 116.57 120.44 1sct h LYS 119 Ca 0.19 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1sct h LYS 119 Cb 0.31 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1sct h LYS 119 CO -0.00 0.89 -0.43 0.93 -2.27 0.00 0.00 179.45 178.56 1sct h GLU 120 N 1.23 0.93 -0.44 1.90 4.39 -1.07 -2.15 114.58 119.36 1sct h GLU 120 Ca 0.31 -0.51 0.04 0.00 0.34 0.00 0.00 59.36 59.54 1sct h GLU 120 Cb 0.00 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1sct h GLU 120 CO -0.05 1.16 0.21 1.15 -1.16 0.00 0.00 179.01 180.33 1sct h THR 121 N 0.74 0.95 -0.63 1.13 2.02 -1.05 -1.39 112.91 114.69 1sct h THR 121 Ca 0.05 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1sct h THR 121 Cb 1.03 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1sct h THR 121 CO 0.10 0.08 0.13 -0.07 0.37 0.00 0.00 175.52 176.13 1sct h LEU 122 N 0.43 0.96 -0.35 2.58 3.38 -1.24 -1.47 115.31 119.60 1sct h LEU 122 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1sct h LEU 122 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1sct h LEU 122 CO -0.14 0.94 0.18 0.11 0.09 0.00 0.00 178.44 179.61 1sct h LYS 123 N 0.96 0.51 -0.45 1.13 1.57 -1.07 0.68 116.57 119.90 1sct h LYS 123 Ca 0.20 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1sct h LYS 123 Cb 0.37 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1sct h LYS 123 CO 0.00 0.45 0.11 0.00 -0.57 0.00 0.00 179.45 179.44 1sct h ALA 124 N 1.03 0.59 0.00 3.86 0.00 -1.03 -2.66 119.26 121.05 1sct h ALA 124 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sct h ALA 124 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sct h ALA 124 CO -0.02 0.27 -0.64 0.00 0.00 0.00 0.00 179.25 178.87 1sct h ARG 125 N 0.59 0.00 -0.01 0.00 3.08 -1.23 -3.33 114.38 113.48 1sct h ARG 125 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1sct h ARG 125 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1sct h ARG 125 CO 0.00 0.00 -0.76 -1.33 -1.07 0.00 0.00 179.97 176.81 1sct n MET 126 N -2.24 0.70 0.00 0.04 2.81 0.23 -4.91 117.12 113.74 1sct n MET 126 Ca 0.03 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.55 1sct n MET 126 Cb 0.46 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.44 3.51 0.00 3.03 0.00 -1.00 -1.20 105.19 110.96 1sct n GLY 127 Ca 0.06 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 5.35 0.00 -0.29 1.61 3.02 -1.26 -2.99 115.26 120.70 1sct n ASN 128 Ca 0.00 -0.40 0.12 0.00 -0.03 0.00 0.00 54.58 54.27 1sct n ASN 128 Cb 0.00 -0.16 0.19 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.16 0.00 -1.91 3.10 4.01 -0.34 -4.91 117.16 115.95 1sct n TYR 129 Ca 0.15 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.49 1sct n TYR 129 Cb 0.15 -0.08 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 -2.58 2.62 0.07 -0.72 5.04 -1.16 -5.03 117.35 115.59 1sct s TYR 130 Ca 0.20 1.32 -0.03 0.00 -2.44 0.00 0.00 57.07 56.12 1sct s TYR 130 Cb 0.18 -3.82 -0.03 0.00 0.35 0.00 0.00 41.96 38.65 1sct s TYR 130 CO 0.58 -2.58 0.05 -1.54 -1.34 0.00 0.00 175.55 170.72 1sct s SER 131 N -0.59 0.36 0.11 4.32 1.04 -1.26 -5.02 113.70 112.66 1sct s SER 131 Ca 0.59 -0.91 0.22 0.00 0.48 0.00 0.00 55.95 56.32 1sct s SER 131 Cb -0.41 0.25 0.87 0.00 0.10 0.00 0.00 66.02 66.83 1sct s SER 131 CO 0.53 -0.65 1.67 0.47 0.98 0.00 0.00 173.24 176.24 1sct n ASP 132 N 0.04 0.33 0.04 7.02 8.00 -1.26 -0.99 116.55 129.74 1sct n ASP 132 Ca -0.14 0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1sct n ASP 132 Cb 0.62 -0.64 0.32 0.00 -0.02 0.00 0.00 41.12 41.39 1sct n ASP 132 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1sct h ASP 133 N 0.00 0.39 -0.22 -2.24 3.32 -1.99 -1.04 116.42 114.64 1sct h ASP 133 Ca 0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1sct h ASP 133 Cb 0.40 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1sct h ASP 133 CO 0.00 0.52 -0.20 0.58 -1.72 0.00 0.00 179.24 178.42 1sct h VAL 134 N 0.39 1.32 -0.94 -1.35 2.07 -1.43 -2.16 116.25 114.16 1sct h VAL 134 Ca 0.08 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.25 1sct h VAL 134 Cb 0.39 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1sct h VAL 134 CO 0.02 0.42 0.61 0.00 0.02 0.00 0.00 177.57 178.63 1sct h ALA 135 N 0.67 1.31 -0.26 1.67 0.00 -1.35 -2.63 119.26 118.67 1sct h ALA 135 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sct h ALA 135 Cb 0.75 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1sct h ALA 135 CO 0.05 0.63 0.16 0.78 0.00 0.00 0.00 179.25 180.88 1sct h GLY 136 N 1.28 0.37 0.32 0.00 0.00 -1.09 -0.95 103.07 102.99 1sct h GLY 136 Ca 0.34 -0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.61 1sct h GLY 136 CO -0.07 0.14 0.05 0.00 0.00 0.00 0.00 176.54 176.66 1sct h ALA 137 N 1.08 0.49 -0.51 3.60 0.00 -1.02 0.27 119.26 123.16 1sct h ALA 137 Ca 0.09 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1sct h ALA 137 Cb -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1sct h ALA 137 CO -0.02 -0.35 -0.08 -1.49 0.00 0.00 0.00 179.25 177.32 1sct h TRP 138 N 0.17 1.02 -0.51 0.00 4.06 -1.31 -1.76 115.95 117.63 1sct h TRP 138 Ca 0.24 -0.19 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 1sct h TRP 138 Cb 0.33 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 1sct h TRP 138 CO -0.26 0.95 0.15 0.00 -3.56 0.00 0.00 178.44 175.72 1sct h ALA 139 N 1.07 1.31 -0.25 1.49 0.00 0.02 -0.69 119.26 122.22 1sct h ALA 139 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1sct h ALA 139 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1sct h ALA 139 CO 0.04 0.49 0.08 0.00 0.00 0.00 0.00 179.25 179.86 1sct h ALA 140 N 1.43 0.32 -0.80 0.00 0.00 -0.45 -0.73 119.26 119.04 1sct h ALA 140 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sct h ALA 140 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1sct h ALA 140 CO -0.01 -0.06 0.37 1.25 0.00 0.00 0.00 179.25 180.81 1sct h LEU 141 N 0.23 1.05 -1.66 0.00 5.85 -0.74 -0.28 115.31 119.77 1sct h LEU 141 Ca 0.08 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1sct h LEU 141 Cb 0.22 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1sct h LEU 141 CO -0.00 0.90 -0.13 0.58 -0.34 0.00 0.00 178.44 179.44 1sct h VAL 142 N 1.13 1.11 -0.37 1.05 2.07 -0.77 -1.33 116.25 119.15 1sct h VAL 142 Ca 0.27 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1sct h VAL 142 Cb 0.13 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1sct h VAL 142 CO -0.03 0.15 0.24 1.23 0.02 0.00 0.00 177.57 179.18 1sct h GLY 143 N 0.48 0.53 1.30 2.17 0.00 0.48 -1.32 103.07 106.71 1sct h GLY 143 Ca 0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1sct h GLY 143 CO 0.02 0.20 -0.30 -2.08 0.00 0.00 0.00 176.54 174.37 1sct h VAL 144 N 0.51 1.28 -0.08 4.60 2.07 -0.95 -2.77 116.25 120.91 1sct h VAL 144 Ca 0.14 -1.45 -0.20 0.00 0.82 0.00 0.00 66.70 66.00 1sct h VAL 144 Cb -0.04 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sct h VAL 144 CO -0.03 0.48 -0.78 0.58 0.02 0.00 0.00 177.57 177.84 1sct h VAL 145 N 0.67 1.35 -0.22 2.57 2.07 -1.52 -3.04 116.25 118.14 1sct h VAL 145 Ca 0.08 -2.15 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1sct h VAL 145 Cb 0.84 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1sct h VAL 145 CO 0.07 0.65 0.07 1.56 0.02 0.00 0.00 177.57 179.95 1sct h GLN 146 N 0.34 0.31 -0.00 1.57 4.20 -1.19 -1.36 115.11 118.97 1sct h GLN 146 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1sct h GLN 146 Cb 1.38 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1sct h GLN 146 CO 0.14 0.27 -0.03 0.00 -0.67 0.00 0.00 178.83 178.55 1sct n ALA 147 N -2.50 2.66 0.71 3.87 0.00 -1.05 -3.30 120.51 120.91 1sct n ALA 147 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 53.44 53.28 1sct n ALA 147 Cb 0.13 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 1sct n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sct n ALA 148 N -0.84 4.10 1.33 0.00 0.00 -0.55 -4.27 120.51 120.28 1sct n ALA 148 Ca 0.19 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 53.26 1sct n ALA 148 Cb 0.22 -0.66 0.38 0.00 0.00 0.00 0.00 19.45 19.38 1sct n ALA 148 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78