#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qct n GLN 3 N 0.00 0.00 0.00 -0.67 1.13 -1.03 -4.31 117.38 112.50 2qct n GLN 3 Ca 0.00 -0.36 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 2qct n GLN 3 Cb 0.00 -0.49 0.00 0.00 0.11 0.00 0.00 30.24 29.86 2qct n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qct n ARG 4 N 0.00 0.00 0.00 -1.09 5.12 -1.26 -3.09 116.66 116.34 2qct n ARG 4 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qct n ARG 4 Cb 0.43 -0.09 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 2qct n ARG 4 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2qct n GLU 5 N 0.00 0.79 -0.57 5.56 4.07 -1.26 -4.37 120.64 124.86 2qct n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2qct n GLU 5 Cb 0.00 -1.22 0.00 0.00 -0.06 0.00 0.00 31.44 30.16 2qct n GLU 5 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2qct n ILE 6 N 0.42 0.00 -3.66 6.31 5.41 -1.18 -4.98 119.36 121.68 2qct n ILE 6 Ca 0.00 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.52 2qct n ILE 6 Cb 0.32 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.07 2qct n ILE 6 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2qct s LEU 7 N 0.00 0.34 0.00 1.39 1.43 -1.26 -2.46 118.68 118.11 2qct s LEU 7 Ca 0.00 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 2qct s LEU 7 Cb 0.00 -0.24 -0.18 0.00 0.03 0.00 0.00 46.19 45.80 2qct s LEU 7 CO 0.00 -0.29 1.06 0.00 0.23 0.00 0.00 176.35 177.35 2qct n GLN 8 N 5.26 0.00 -3.03 1.70 1.13 -1.26 -4.17 117.38 117.00 2qct n GLN 8 Ca -0.05 -0.57 -0.45 0.00 -1.94 0.00 0.00 57.00 53.99 2qct n GLN 8 Cb 0.49 -1.91 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 2qct n GLN 8 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qct s LYS 9 N 5.08 3.68 0.11 -1.09 -0.14 -1.26 -4.69 119.74 121.42 2qct s LYS 9 Ca 0.32 -2.06 0.10 0.00 -1.36 0.00 0.00 55.97 52.97 2qct s LYS 9 Cb 0.07 -4.81 -0.17 0.00 -1.68 0.00 0.00 37.83 31.24 2qct s LYS 9 CO 0.16 -1.64 1.15 0.35 -0.76 0.00 0.00 175.35 174.60 2qct h PHE 10 N 8.34 0.00 0.00 3.18 3.57 -2.00 -3.24 116.94 126.79 2qct h PHE 10 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2qct h PHE 10 Cb 1.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2qct h PHE 10 CO 1.12 0.89 0.15 -0.07 -2.23 0.00 0.00 178.31 178.17 2qct h LEU 11 N 0.00 0.00 -0.01 0.59 3.38 -1.97 0.12 115.31 117.42 2qct h LEU 11 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qct h LEU 11 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2qct h LEU 11 CO 0.10 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.07 2qct h ASP 12 N 0.00 0.00 -0.24 -0.43 3.32 -1.96 -3.11 116.42 114.00 2qct h ASP 12 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2qct h ASP 12 Cb 0.30 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 2qct h ASP 12 CO 0.00 0.00 0.51 1.21 -1.72 0.00 0.00 179.24 179.24 2qct n GLU 13 N -2.74 2.44 0.09 3.56 2.13 0.40 -3.51 120.64 123.01 2qct n GLU 13 Ca 0.05 -1.53 0.09 0.00 0.66 0.00 0.00 57.16 56.42 2qct n GLU 13 Cb 0.49 -2.17 -0.01 0.00 0.27 0.00 0.00 31.44 30.01 2qct n GLU 13 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qct h ALA 14 N 3.37 0.56 -0.58 4.31 0.00 -1.76 -3.25 119.26 121.91 2qct h ALA 14 Ca 0.35 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2qct h ALA 14 Cb 1.14 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2qct h ALA 14 CO 0.63 0.22 0.07 -0.56 0.00 0.00 0.00 179.25 179.62 2qct h GLN 15 N 0.00 0.94 -5.00 0.00 3.07 -1.88 -3.33 115.11 108.92 2qct h GLN 15 Ca -0.04 -0.24 -0.50 0.00 0.09 0.00 0.00 58.65 57.96 2qct h GLN 15 Cb 1.14 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.59 2qct h GLN 15 CO 0.01 0.89 1.69 0.43 0.09 0.00 0.00 178.83 181.94 2qct n SER 16 N -4.22 2.84 0.00 0.06 7.64 -1.23 -3.25 113.62 115.46 2qct n SER 16 Ca 0.04 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.22 2qct n SER 16 Cb 0.28 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 2qct n SER 16 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2qct n LYS 17 N 7.66 0.00 -0.00 1.43 2.85 -1.25 -4.98 118.16 123.87 2qct n LYS 17 Ca 0.47 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.73 2qct n LYS 17 Cb 0.44 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.82 2qct n LYS 17 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2qct n LYS 21 N 0.00 0.01 0.00 -1.58 4.01 -1.20 -5.07 118.16 114.32 2qct n LYS 21 Ca 0.00 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2qct n LYS 21 Cb 0.00 -0.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.89 2qct n LYS 21 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2qct n GLU 22 N -2.41 0.00 0.24 1.97 -0.58 -1.26 -4.88 120.64 113.72 2qct n GLU 22 Ca -0.00 -0.15 0.10 0.00 -0.42 0.00 0.00 57.16 56.68 2qct n GLU 22 Cb 0.01 -0.23 0.53 0.00 -0.57 0.00 0.00 31.44 31.18 2qct n GLU 22 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2qct h GLU 23 N 0.00 0.00 -0.44 3.49 -0.00 -1.97 0.24 114.58 115.89 2qct h GLU 23 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.28 2qct h GLU 23 Cb 0.83 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.56 2qct h GLU 23 CO 0.00 0.00 -0.07 0.74 -0.00 0.00 0.00 179.01 179.68 2qct h PHE 24 N 0.00 0.83 0.00 2.06 0.04 -1.93 -2.00 116.94 115.94 2qct h PHE 24 Ca 0.00 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.63 2qct h PHE 24 Cb 0.68 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2qct h PHE 24 CO 0.00 0.81 0.00 0.00 -0.60 0.00 0.00 178.31 178.52 2qct n ALA 25 N -2.48 -0.34 0.14 2.45 0.00 0.84 -0.80 120.51 120.31 2qct n ALA 25 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2qct n ALA 25 Cb 0.34 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.21 2qct n ALA 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qct n ASN 26 N -1.92 0.40 -0.08 0.00 0.23 -1.25 -0.56 115.26 112.08 2qct n ASN 26 Ca 0.00 0.63 -0.17 0.00 -0.53 0.00 0.00 54.58 54.51 2qct n ASN 26 Cb 0.00 -0.64 -0.12 0.00 -2.08 0.00 0.00 39.78 36.94 2qct n ASN 26 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qct h GLU 27 N 0.00 0.00 0.81 -3.83 4.81 -1.27 -2.84 114.58 112.26 2qct h GLU 27 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2qct h GLU 27 Cb 0.28 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.67 2qct h GLU 27 CO 0.00 0.96 -0.39 0.35 -0.73 0.00 0.00 179.01 179.20 2qct h PHE 28 N -1.00 -1.01 -0.85 0.92 3.57 0.62 -2.95 116.94 116.23 2qct h PHE 28 Ca -0.15 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.52 2qct h PHE 28 Cb 1.10 0.33 -0.16 0.00 2.79 0.00 0.00 35.95 40.01 2qct h PHE 28 CO 0.19 -0.62 -0.11 1.25 -2.23 0.00 0.00 178.31 176.78 2qct h LEU 29 N -1.14 -0.62 -0.93 0.59 7.12 -1.00 0.78 115.31 120.12 2qct h LEU 29 Ca -0.11 0.24 0.21 0.00 0.13 0.00 0.00 57.88 58.36 2qct h LEU 29 Cb 0.84 0.47 -0.17 0.00 -0.53 0.00 0.00 40.66 41.27 2qct h LEU 29 CO 0.18 -0.27 -0.11 0.50 -0.13 0.00 0.00 178.44 178.62 2qct h LYS 30 N 0.03 0.02 -0.70 1.25 3.64 -1.33 0.26 116.57 119.73 2qct h LYS 30 Ca 0.44 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.83 2qct h LYS 30 Cb 0.76 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 2qct h LYS 30 CO -0.83 0.01 0.46 -0.07 -2.27 0.00 0.00 179.45 176.76 2qct h LEU 31 N 0.02 0.80 -0.02 5.20 3.38 0.63 -1.90 115.31 123.42 2qct h LEU 31 Ca 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2qct h LEU 31 Cb 0.88 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2qct h LEU 31 CO -0.91 0.58 0.28 0.29 0.09 0.00 0.00 178.44 178.76 2qct n LYS 32 N -4.60 0.00 0.00 1.13 5.02 0.90 -3.62 118.16 116.99 2qct n LYS 32 Ca 0.06 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2qct n LYS 32 Cb 0.02 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2qct n LYS 32 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qct n ARG 33 N -1.24 0.00 0.00 1.97 1.74 -0.71 -5.12 116.66 113.29 2qct n ARG 33 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qct n ARG 33 Cb 0.28 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 2qct n ARG 33 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qct n GLN 34 N 0.00 0.00 0.00 5.56 6.02 -1.24 -5.14 117.38 122.58 2qct n GLN 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qct n GLN 34 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2qct n GLN 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qct n ALA 40 N 0.00 -0.16 0.24 -1.58 0.00 -1.26 -5.11 120.51 112.64 2qct n ALA 40 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2qct n ALA 40 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2qct n ALA 40 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2qct h ASP 41 N 0.00 -1.41 0.00 0.00 3.58 -2.08 -0.84 116.42 115.66 2qct h ASP 41 Ca 0.00 0.12 -0.33 0.00 0.42 0.00 0.00 57.03 57.24 2qct h ASP 41 Cb 0.00 0.48 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2qct h ASP 41 CO 0.00 -0.62 2.03 0.29 -2.88 0.00 0.00 179.24 178.05 2qct n LYS 42 N -5.42 2.00 0.01 0.28 4.01 -1.26 -4.45 118.16 113.33 2qct n LYS 42 Ca -0.11 -1.30 0.08 0.00 -0.51 0.00 0.00 58.31 56.47 2qct n LYS 42 Cb 0.44 -2.31 0.50 0.00 -0.51 0.00 0.00 35.03 33.14 2qct n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qct h THR 43 N 3.12 1.00 -3.49 -0.18 1.03 -1.65 -3.37 112.91 109.37 2qct h THR 43 Ca 0.43 -0.13 -0.67 0.00 -0.01 0.00 0.00 66.41 66.02 2qct h THR 43 Cb 0.37 0.57 -0.33 0.00 -1.07 0.00 0.00 68.15 67.70 2qct h THR 43 CO 1.18 0.07 -0.77 -0.31 -0.01 0.00 0.00 175.52 175.69 2qct s TYR 44 N -5.37 3.05 0.27 0.00 1.51 -1.26 -4.99 117.35 110.57 2qct s TYR 44 Ca -0.07 -1.67 -0.29 0.00 -1.01 0.00 0.00 57.07 54.03 2qct s TYR 44 Cb 0.18 -2.02 -0.14 0.00 -0.11 0.00 0.00 41.96 39.87 2qct s TYR 44 CO 0.73 -0.76 1.13 -2.30 -1.11 0.00 0.00 175.55 173.24 2qct n PRO 45 N 4.63 1.52 -2.74 -1.71 -0.02 -1.26 -4.86 135.00 130.56 2qct n PRO 45 Ca -0.17 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 61.82 2qct n PRO 45 Cb 0.47 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2qct n PRO 45 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qct n THR 46 N 0.67 1.39 0.29 3.45 -2.24 -1.26 -1.65 114.28 114.93 2qct n THR 46 Ca 0.10 -3.08 -0.15 0.00 -2.27 0.00 0.00 64.05 58.65 2qct n THR 46 Cb 0.31 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 2qct n THR 46 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2qct h THR 47 N 5.10 0.39 -0.96 4.28 1.35 -1.89 -2.85 112.91 118.33 2qct h THR 47 Ca -0.08 -0.29 0.20 0.00 -0.55 0.00 0.00 66.41 65.68 2qct h THR 47 Cb 1.29 0.49 -0.08 0.00 -1.73 0.00 0.00 68.15 68.12 2qct h THR 47 CO 0.26 0.04 0.61 0.58 -0.25 0.00 0.00 175.52 176.77 2qct h VAL 48 N -0.93 0.68 0.00 6.82 2.07 -1.95 0.33 116.25 123.27 2qct h VAL 48 Ca -0.07 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2qct h VAL 48 Cb 0.63 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2qct h VAL 48 CO 0.12 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.82 2qct h ALA 49 N 1.62 1.00 -0.02 1.67 0.00 -1.87 -3.06 119.26 118.60 2qct h ALA 49 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2qct h ALA 49 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qct h ALA 49 CO -0.27 0.00 -0.31 0.39 0.00 0.00 0.00 179.25 179.07 2qct n GLU 50 N -2.77 1.48 -1.43 0.00 1.02 0.11 -4.54 120.64 114.51 2qct n GLU 50 Ca 0.01 -1.18 -0.35 0.00 -0.02 0.00 0.00 57.16 55.63 2qct n GLU 50 Cb 0.29 -1.48 0.09 0.00 -0.02 0.00 0.00 31.44 30.33 2qct n GLU 50 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qct s LYS 51 N -2.33 2.13 0.14 3.49 1.02 -1.06 -4.88 119.74 118.24 2qct s LYS 51 Ca 0.23 1.81 -0.19 0.00 0.02 0.00 0.00 55.97 57.83 2qct s LYS 51 Cb 0.19 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.69 2qct s LYS 51 CO 0.49 -1.86 1.70 -1.00 -0.92 0.00 0.00 175.35 173.76 2qct h PRO 52 N -0.26 0.03 -0.86 -1.68 0.13 -1.93 -2.61 132.00 124.82 2qct h PRO 52 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qct h PRO 52 Cb 1.30 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2qct h PRO 52 CO 0.50 0.02 0.00 0.36 -0.23 0.00 0.00 178.00 178.64 2qct n LYS 53 N -5.21 0.41 0.00 0.86 2.85 -1.26 -2.90 118.16 112.91 2qct n LYS 53 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2qct n LYS 53 Cb 0.15 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.29 2qct n LYS 53 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2qct n ASN 54 N 0.49 0.11 0.24 -5.58 3.02 -0.99 -4.84 115.26 107.72 2qct n ASN 54 Ca 0.00 -0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.71 2qct n ASN 54 Cb 0.14 0.03 0.86 0.00 -0.61 0.00 0.00 39.78 40.20 2qct n ASN 54 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2qct h ILE 55 N 0.00 0.48 -0.35 2.41 1.08 -1.55 1.25 117.51 120.83 2qct h ILE 55 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2qct h ILE 55 Cb 0.00 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 2qct h ILE 55 CO 0.00 0.00 0.00 2.29 -0.69 0.00 0.00 178.15 179.75 2qct n LYS 56 N -3.80 2.07 0.00 2.37 2.85 -1.26 -3.32 118.16 117.07 2qct n LYS 56 Ca -0.00 -1.37 0.00 0.00 -1.05 0.00 0.00 58.31 55.89 2qct n LYS 56 Cb 0.24 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2qct n LYS 56 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2qct n LYS 57 N 0.52 1.03 -3.75 -1.58 5.02 0.43 -4.81 118.16 115.02 2qct n LYS 57 Ca 0.13 -0.37 -0.38 0.00 -2.02 0.00 0.00 58.31 55.67 2qct n LYS 57 Cb 0.39 -0.87 -0.12 0.00 -0.02 0.00 0.00 35.03 34.42 2qct n LYS 57 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2qct s ASN 58 N -0.25 5.30 0.36 4.39 0.01 -1.00 -4.57 114.94 119.19 2qct s ASN 58 Ca 0.00 -1.40 0.16 0.00 -0.71 0.00 0.00 52.86 50.91 2qct s ASN 58 Cb 0.00 -1.86 1.08 0.00 0.41 0.00 0.00 41.25 40.88 2qct s ASN 58 CO 0.00 -0.40 1.70 -0.09 -1.51 0.00 0.00 177.10 176.80 2qct h ARG 59 N 8.19 0.37 -2.86 -0.60 2.43 -1.91 -3.35 114.38 116.65 2qct h ARG 59 Ca -0.21 -0.02 -0.54 0.00 -0.81 0.00 0.00 59.98 58.40 2qct h ARG 59 Cb 1.07 -0.08 -0.40 0.00 -0.42 0.00 0.00 29.97 30.14 2qct h ARG 59 CO 0.64 0.24 -0.78 0.71 -1.51 0.00 0.00 179.97 179.27 2qct s TYR 60 N -5.61 0.54 0.15 2.20 4.12 -1.26 -5.04 117.35 112.44 2qct s TYR 60 Ca -0.10 -1.07 -0.01 0.00 0.02 0.00 0.00 57.07 55.91 2qct s TYR 60 Cb 0.28 -1.01 0.32 0.00 -1.52 0.00 0.00 41.96 40.04 2qct s TYR 60 CO 0.80 -0.84 0.78 0.36 0.02 0.00 0.00 175.55 176.67 2qct n LYS 61 N 5.06 -0.04 0.08 -0.62 -0.00 -1.26 -0.67 118.16 120.71 2qct n LYS 61 Ca -0.04 0.76 -0.13 0.00 -0.00 0.00 0.00 58.31 58.90 2qct n LYS 61 Cb 0.41 -1.17 -0.08 0.00 -0.00 0.00 0.00 35.03 34.19 2qct n LYS 61 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2qct h ASP 62 N 0.00 -0.11 -2.18 -5.58 3.04 -1.96 -3.40 116.42 106.23 2qct h ASP 62 Ca 0.28 -0.06 -0.52 0.00 -3.24 0.00 0.00 57.03 53.49 2qct h ASP 62 Cb 0.52 0.03 -0.03 0.00 -1.04 0.00 0.00 39.33 38.80 2qct h ASP 62 CO -0.49 -0.01 1.32 -0.63 -2.04 0.00 0.00 179.24 177.40 2qct s ILE 63 N -5.89 3.41 0.10 4.15 -1.09 0.15 -4.99 121.20 117.05 2qct s ILE 63 Ca -0.14 0.30 0.09 0.00 -2.23 0.00 0.00 60.65 58.66 2qct s ILE 63 Cb 0.05 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2qct s ILE 63 CO 0.65 -0.83 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.56 2qct s LEU 64 N 8.43 2.29 0.78 2.97 1.43 -1.26 -4.74 118.68 128.58 2qct s LEU 64 Ca 0.69 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 2qct s LEU 64 Cb -0.14 -0.95 0.06 0.00 0.03 0.00 0.00 46.19 45.19 2qct s LEU 64 CO 0.24 0.08 1.11 -2.16 0.23 0.00 0.00 176.35 175.85 2qct s PRO 65 N -1.89 2.25 -0.16 1.29 0.04 -1.26 -4.63 135.00 130.65 2qct s PRO 65 Ca 0.08 0.49 -0.13 0.00 0.04 0.00 0.00 61.00 61.47 2qct s PRO 65 Cb -0.10 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2qct s PRO 65 CO 0.04 -1.47 0.26 0.71 0.04 0.00 0.00 177.00 176.58 2qct s TYR 66 N -3.29 3.47 0.22 0.56 4.12 -1.26 -4.58 117.35 116.59 2qct s TYR 66 Ca 0.60 0.55 -0.10 0.00 0.02 0.00 0.00 57.07 58.15 2qct s TYR 66 Cb -0.13 -2.28 0.33 0.00 -1.52 0.00 0.00 41.96 38.36 2qct s TYR 66 CO 0.53 0.29 1.67 -0.44 0.02 0.00 0.00 175.55 177.61 2qct h ASP 67 N 6.51 -0.23 0.00 2.29 3.45 -1.65 0.33 116.42 127.13 2qct h ASP 67 Ca -0.42 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.19 2qct h ASP 67 Cb 1.17 0.26 0.00 0.00 -0.56 0.00 0.00 39.33 40.20 2qct h ASP 67 CO 0.74 -0.10 0.04 0.10 -1.57 0.00 0.00 179.24 178.45 2qct h TYR 68 N 0.14 0.00 0.00 4.55 -0.00 -1.94 -3.13 116.97 116.59 2qct h TYR 68 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 2qct h TYR 68 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.29 2qct h TYR 68 CO -0.35 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 176.68 2qct n SER 69 N -2.86 0.13 -4.45 0.10 3.41 -0.36 -5.07 113.62 104.53 2qct n SER 69 Ca -0.03 -0.45 -0.36 0.00 -0.26 0.00 0.00 58.87 57.77 2qct n SER 69 Cb 0.10 0.42 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 2qct n SER 69 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2qct n ARG 70 N -0.42 0.28 -2.82 4.33 1.85 0.10 -1.81 116.66 118.17 2qct n ARG 70 Ca 0.00 0.13 -0.43 0.00 -1.00 0.00 0.00 57.85 56.55 2qct n ARG 70 Cb 0.03 -1.77 -0.01 0.00 -1.05 0.00 0.00 32.46 29.66 2qct n ARG 70 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2qct s VAL 71 N -1.91 4.68 0.37 8.89 1.01 0.27 -4.75 120.40 128.94 2qct s VAL 71 Ca 0.65 -2.16 -0.27 0.00 0.00 0.00 0.00 61.98 60.20 2qct s VAL 71 Cb -0.35 -4.97 -0.12 0.00 0.00 0.00 0.00 36.38 30.94 2qct s VAL 71 CO 0.59 -1.73 1.32 -0.62 0.00 0.00 0.00 175.10 174.65 2qct n GLU 72 N 6.71 2.17 -4.19 2.72 1.02 -1.26 -4.61 120.64 123.19 2qct n GLU 72 Ca 0.37 0.76 -0.35 0.00 -0.02 0.00 0.00 57.16 57.92 2qct n GLU 72 Cb 0.45 -2.39 -0.08 0.00 -0.02 0.00 0.00 31.44 29.40 2qct n GLU 72 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qct s LEU 73 N -1.34 3.86 0.00 -4.62 1.43 -1.17 -5.00 118.68 111.85 2qct s LEU 73 Ca 0.56 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 2qct s LEU 73 Cb -0.54 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 43.72 2qct s LEU 73 CO 0.62 0.37 0.00 -1.20 0.23 0.00 0.00 176.35 176.37 2qct n SER 74 N 1.95 2.55 -4.59 2.29 7.64 -1.26 -4.47 113.62 117.73 2qct n SER 74 Ca -0.18 -0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.04 2qct n SER 74 Cb 0.54 0.97 -0.02 0.00 -1.01 0.00 0.00 64.21 64.69 2qct n SER 74 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2qct s LEU 75 N -2.45 3.55 -0.38 -3.43 2.96 -1.26 -4.99 118.68 112.68 2qct s LEU 75 Ca 0.00 0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 54.02 2qct s LEU 75 Cb 0.00 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.35 2qct s LEU 75 CO 0.00 -1.37 0.35 -0.63 -1.32 0.00 0.00 176.35 173.38 2qct s ILE 76 N 4.70 5.19 -0.72 6.68 1.01 -1.26 -4.91 121.20 131.88 2qct s ILE 76 Ca 0.45 -0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.95 2qct s ILE 76 Cb -0.07 -3.88 0.32 0.00 0.01 0.00 0.00 42.46 38.83 2qct s ILE 76 CO 0.28 -0.21 1.26 0.35 0.00 0.00 0.00 174.94 176.62 2qct n THR 77 N 5.25 1.22 -3.82 2.92 -2.24 -1.26 -5.03 114.28 111.32 2qct n THR 77 Ca -0.10 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 2qct n THR 77 Cb 0.48 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 2qct n THR 77 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qct n SER 78 N 0.24 -0.82 -0.80 3.42 3.41 -1.26 -4.75 113.62 113.07 2qct n SER 78 Ca 0.12 -1.31 0.12 0.00 -0.26 0.00 0.00 58.87 57.54 2qct n SER 78 Cb 0.49 1.30 0.21 0.00 -0.26 0.00 0.00 64.21 65.95 2qct n SER 78 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qct n ASP 79 N -0.82 2.52 -0.53 4.04 2.03 -1.26 -3.99 116.55 118.55 2qct n ASP 79 Ca 0.01 -1.82 0.06 0.00 0.52 0.00 0.00 54.79 53.56 2qct n ASP 79 Cb 0.33 0.03 0.07 0.00 -0.72 0.00 0.00 41.12 40.83 2qct n ASP 79 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2qct n GLU 80 N 0.93 1.13 -2.86 -0.67 1.02 -1.26 -5.00 120.64 113.93 2qct n GLU 80 Ca 0.15 -1.40 -0.40 0.00 -0.02 0.00 0.00 57.16 55.49 2qct n GLU 80 Cb 0.52 -1.24 -0.05 0.00 -0.02 0.00 0.00 31.44 30.65 2qct n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qct s ASP 81 N -1.01 7.42 0.52 1.62 -0.00 -1.26 -5.07 116.67 118.91 2qct s ASP 81 Ca 0.16 1.69 0.00 0.00 -0.00 0.00 0.00 52.55 54.41 2qct s ASP 81 Cb 0.11 -2.54 -0.00 0.00 -0.00 0.00 0.00 42.92 40.49 2qct s ASP 81 CO 0.16 0.07 0.01 -0.44 -0.00 0.00 0.00 175.17 174.96 2qct s SER 82 N -0.52 4.09 -0.43 0.27 0.01 -1.26 -5.00 113.70 110.86 2qct s SER 82 Ca 0.41 -1.70 0.03 0.00 1.31 0.00 0.00 55.95 55.99 2qct s SER 82 Cb -0.23 0.67 0.56 0.00 0.21 0.00 0.00 66.02 67.22 2qct s SER 82 CO 0.28 -0.92 1.85 -1.54 0.41 0.00 0.00 173.24 173.31 2qct n SER 83 N -1.32 4.32 -4.33 2.44 3.41 -1.26 -4.81 113.62 112.07 2qct n SER 83 Ca -0.21 -3.45 -0.32 0.00 -0.26 0.00 0.00 58.87 54.63 2qct n SER 83 Cb 0.67 -0.83 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 2qct n SER 83 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qct s TYR 84 N -2.99 2.63 -0.16 7.33 5.04 -1.26 -3.02 117.35 124.92 2qct s TYR 84 Ca 0.51 -0.68 -0.09 0.00 -2.44 0.00 0.00 57.07 54.38 2qct s TYR 84 Cb 0.43 -1.71 0.06 0.00 0.35 0.00 0.00 41.96 41.08 2qct s TYR 84 CO 0.08 -0.19 0.39 -1.50 -1.34 0.00 0.00 175.55 172.98 2qct s ILE 85 N 0.03 -0.03 -1.00 3.14 1.10 -1.26 -5.01 121.20 118.17 2qct s ILE 85 Ca -0.07 0.09 -0.24 0.00 -0.51 0.00 0.00 60.65 59.92 2qct s ILE 85 Cb -0.15 -0.58 -0.06 0.00 0.15 0.00 0.00 42.46 41.82 2qct s ILE 85 CO 0.05 0.04 1.95 0.21 -2.11 0.00 0.00 174.94 175.08 2qct s ASN 86 N 1.31 5.07 -0.27 4.50 3.84 -1.26 -4.59 114.94 123.52 2qct s ASN 86 Ca -0.09 -1.03 -0.22 0.00 0.21 0.00 0.00 52.86 51.73 2qct s ASN 86 Cb -0.08 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.13 2qct s ASN 86 CO -0.11 -2.90 0.74 0.00 -2.79 0.00 0.00 177.10 172.04 2qct s ALA 87 N 10.55 -1.84 0.33 1.71 0.00 -1.26 -3.62 121.76 127.64 2qct s ALA 87 Ca 0.70 2.13 0.10 0.00 0.00 0.00 0.00 51.96 54.89 2qct s ALA 87 Cb -0.05 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 2qct s ALA 87 CO 0.05 -0.34 -0.07 -0.80 0.00 0.00 0.00 175.76 174.59 2qct s ASN 88 N 0.74 3.88 -0.16 0.00 0.01 -0.68 0.93 114.94 119.66 2qct s ASN 88 Ca -0.03 -1.09 -0.11 0.00 -0.71 0.00 0.00 52.86 50.92 2qct s ASN 88 Cb -0.05 -0.42 -0.05 0.00 0.41 0.00 0.00 41.25 41.15 2qct s ASN 88 CO -0.06 -0.17 0.20 -0.36 -1.51 0.00 0.00 177.10 175.20 2qct s PHE 89 N -2.56 3.48 -0.11 2.20 2.99 -0.75 -1.84 117.98 121.39 2qct s PHE 89 Ca 0.33 0.49 -0.00 0.00 0.00 0.00 0.00 56.93 57.75 2qct s PHE 89 Cb 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 43.02 40.82 2qct s PHE 89 CO 0.17 0.38 -0.09 0.42 -0.00 0.00 0.00 175.22 176.11 2qct s ILE 90 N 0.04 3.48 0.60 0.64 -1.09 -0.45 -4.85 121.20 119.57 2qct s ILE 90 Ca 0.13 -0.53 -0.14 0.00 -2.23 0.00 0.00 60.65 57.88 2qct s ILE 90 Cb -0.12 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2qct s ILE 90 CO 0.02 0.55 1.04 -0.54 -1.23 0.00 0.00 174.94 174.78 2qct s LYS 91 N -0.14 3.39 0.00 2.79 1.02 -1.26 -0.67 119.74 124.87 2qct s LYS 91 Ca 0.01 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.05 2qct s LYS 91 Cb -0.13 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 2qct s LYS 91 CO 0.03 -0.74 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 2qct n GLY 92 N -1.48 4.17 0.34 -3.33 0.00 0.34 -4.76 105.19 100.46 2qct n GLY 92 Ca 0.08 -2.06 -0.00 0.00 0.00 0.00 0.00 46.02 44.04 2qct n GLY 92 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qct h VAL 93 N 0.06 1.20 -0.16 1.61 2.07 -1.97 -3.17 116.25 115.89 2qct h VAL 93 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2qct h VAL 93 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2qct h VAL 93 CO 0.00 0.21 0.00 -1.22 0.02 0.00 0.00 177.57 176.58 2qct n TYR 94 N -4.39 0.21 -3.63 1.57 4.02 -1.26 -5.10 117.16 108.57 2qct n TYR 94 Ca 0.07 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2qct n TYR 94 Cb 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 2qct n TYR 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qct n GLY 95 N 0.48 -0.80 3.77 2.72 0.00 -1.20 -5.15 105.19 105.01 2qct n GLY 95 Ca 0.08 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 2qct n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qct s PRO 96 N -2.00 -0.46 -0.75 1.61 0.04 -1.26 0.13 135.00 132.30 2qct s PRO 96 Ca 0.00 -0.34 -0.07 0.00 0.04 0.00 0.00 61.00 60.63 2qct s PRO 96 Cb 0.00 -1.71 0.06 0.00 0.04 0.00 0.00 34.50 32.89 2qct s PRO 96 CO 0.00 -3.16 0.21 0.36 0.04 0.00 0.00 177.00 174.45 2qct n LYS 97 N -4.31 -2.50 0.04 4.56 2.85 -1.26 -4.68 118.16 112.87 2qct n LYS 97 Ca 0.16 0.19 -0.21 0.00 -1.05 0.00 0.00 58.31 57.39 2qct n LYS 97 Cb 0.59 -4.75 -0.14 0.00 -0.65 0.00 0.00 35.03 30.08 2qct n LYS 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qct h ALA 98 N 0.97 -0.02 -2.23 0.58 0.00 -1.69 -3.13 119.26 113.74 2qct h ALA 98 Ca -0.24 -0.82 -0.34 0.00 0.00 0.00 0.00 54.91 53.51 2qct h ALA 98 Cb 1.16 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 2qct h ALA 98 CO 0.33 0.52 -0.68 0.71 0.00 0.00 0.00 179.25 180.13 2qct s TYR 99 N -2.45 1.39 -0.38 0.00 1.51 0.16 -2.50 117.35 115.08 2qct s TYR 99 Ca -0.15 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.03 2qct s TYR 99 Cb 0.02 -0.77 0.12 0.00 -0.11 0.00 0.00 41.96 41.22 2qct s TYR 99 CO 0.82 -0.03 0.18 0.42 -1.11 0.00 0.00 175.55 175.83 2qct s ILE 100 N -3.44 1.06 -0.22 2.71 1.01 -0.53 -1.34 121.20 120.45 2qct s ILE 100 Ca 0.24 -2.03 -0.23 0.00 0.00 0.00 0.00 60.65 58.63 2qct s ILE 100 Cb 0.05 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 2qct s ILE 100 CO 0.05 -0.83 0.74 0.00 0.00 0.00 0.00 174.94 174.90 2qct s ALA 101 N 0.91 3.60 0.35 9.38 0.00 -0.77 -1.27 121.76 133.96 2qct s ALA 101 Ca 0.15 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2qct s ALA 101 Cb -0.22 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2qct s ALA 101 CO -0.09 -0.77 0.43 -0.08 0.00 0.00 0.00 175.76 175.25 2qct s THR 102 N 2.45 0.00 0.44 0.00 -1.32 -0.88 -1.69 115.64 114.63 2qct s THR 102 Ca 0.32 -1.72 -0.02 0.00 -1.21 0.00 0.00 61.69 59.06 2qct s THR 102 Cb -0.16 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 2qct s THR 102 CO 0.09 0.00 0.68 0.00 -2.21 0.00 0.00 174.62 173.18 2qct s GLN 103 N -3.05 3.33 0.24 7.08 -2.07 -1.23 -3.49 119.66 120.46 2qct s GLN 103 Ca 0.34 -0.20 -0.31 0.00 -1.82 0.00 0.00 55.36 53.38 2qct s GLN 103 Cb 0.00 -2.51 -0.11 0.00 -1.09 0.00 0.00 33.01 29.30 2qct s GLN 103 CO 0.24 -0.15 1.58 0.20 -1.32 0.00 0.00 175.29 175.84 2qct s GLY 104 N -4.13 1.84 0.24 2.60 0.00 -0.07 -4.86 107.32 102.94 2qct s GLY 104 Ca 0.46 1.48 -0.30 0.00 0.00 0.00 0.00 44.72 46.35 2qct s GLY 104 CO 0.40 2.58 1.39 2.56 0.00 0.00 0.00 173.10 180.03 2qct s PRO 105 N 0.25 4.31 0.86 2.90 0.04 -1.26 -4.82 135.00 137.29 2qct s PRO 105 Ca 0.66 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.81 2qct s PRO 105 Cb -0.46 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.06 2qct s PRO 105 CO 0.40 -0.35 1.13 -0.51 0.04 0.00 0.00 177.00 177.70 2qct s LEU 106 N -0.44 2.25 0.32 -3.56 1.43 -1.26 -3.00 118.68 114.42 2qct s LEU 106 Ca 0.57 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 2qct s LEU 106 Cb -0.40 -3.51 0.52 0.00 0.03 0.00 0.00 46.19 42.84 2qct s LEU 106 CO 0.43 -2.29 1.89 0.77 0.23 0.00 0.00 176.35 177.37 2qct h SER 107 N -1.32 0.67 0.64 2.29 4.64 -1.95 -1.75 113.55 116.78 2qct h SER 107 Ca -0.49 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 60.68 2qct h SER 107 Cb 1.31 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2qct h SER 107 CO 0.61 0.64 -0.25 0.71 -0.87 0.00 0.00 176.83 177.68 2qct h THR 108 N 0.72 0.73 -0.31 2.95 1.35 -1.92 -3.26 112.91 113.17 2qct h THR 108 Ca 0.17 -1.04 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 2qct h THR 108 Cb 0.20 1.65 -0.04 0.00 -1.73 0.00 0.00 68.15 68.24 2qct h THR 108 CO -0.01 0.24 0.01 0.35 -0.25 0.00 0.00 175.52 175.86 2qct n THR 109 N -3.60 2.39 0.01 6.82 -2.24 -0.70 -4.65 114.28 112.31 2qct n THR 109 Ca -0.01 -2.07 -0.13 0.00 -2.27 0.00 0.00 64.05 59.58 2qct n THR 109 Cb 0.38 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 2qct n THR 109 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2qct h LEU 110 N 1.63 0.00 0.04 3.22 3.38 -1.49 -1.33 115.31 120.77 2qct h LEU 110 Ca 0.07 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2qct h LEU 110 Cb 1.56 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.26 2qct h LEU 110 CO 0.30 0.30 -0.35 0.25 0.09 0.00 0.00 178.44 179.03 2qct h LEU 111 N -0.29 -1.03 -0.88 1.67 5.85 -1.85 0.31 115.31 119.08 2qct h LEU 111 Ca 0.00 0.13 0.18 0.00 0.84 0.00 0.00 57.88 59.03 2qct h LEU 111 Cb 0.29 0.40 -0.11 0.00 0.37 0.00 0.00 40.66 41.62 2qct h LEU 111 CO 0.00 -0.41 0.43 0.44 -0.34 0.00 0.00 178.44 178.56 2qct h ASP 112 N -0.53 0.46 0.51 1.25 3.45 -1.85 -2.00 116.42 117.72 2qct h ASP 112 Ca 0.05 0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 2qct h ASP 112 Cb 0.59 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 2qct h ASP 112 CO -0.26 0.13 -0.37 0.15 -1.57 0.00 0.00 179.24 177.32 2qct h PHE 113 N 0.54 -0.98 -0.74 4.55 3.57 0.19 -1.48 116.94 122.58 2qct h PHE 113 Ca 0.52 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.02 2qct h PHE 113 Cb 0.86 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 2qct h PHE 113 CO -0.10 -0.54 0.49 -1.49 -2.23 0.00 0.00 178.31 174.44 2qct h TRP 114 N -0.86 0.93 -0.87 0.41 4.06 -0.56 -2.19 115.95 116.88 2qct h TRP 114 Ca -0.06 0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.94 2qct h TRP 114 Cb 0.72 -0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 28.51 2qct h TRP 114 CO -0.14 0.59 0.57 0.07 -3.56 0.00 0.00 178.44 175.97 2qct h ARG 115 N 1.01 1.07 0.35 0.49 0.11 -1.24 -0.97 114.38 115.20 2qct h ARG 115 Ca 0.27 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.28 2qct h ARG 115 Cb -0.12 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 30.71 2qct h ARG 115 CO -0.06 0.71 -0.27 1.98 0.10 0.00 0.00 179.97 182.43 2qct h MET 116 N 1.10 -0.61 -0.90 0.08 4.05 -0.70 1.27 114.93 119.23 2qct h MET 116 Ca 0.34 0.04 0.14 0.00 -0.28 0.00 0.00 59.70 59.94 2qct h MET 116 Cb -0.01 0.14 -0.09 0.00 -0.80 0.00 0.00 31.60 30.84 2qct h MET 116 CO -0.10 -0.40 0.51 0.82 0.23 0.00 0.00 176.91 177.97 2qct h ILE 117 N -0.63 0.79 0.16 1.77 5.03 -0.88 -2.23 117.51 121.52 2qct h ILE 117 Ca -0.03 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 2qct h ILE 117 Cb 0.55 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 2qct h ILE 117 CO -0.01 0.14 -0.08 -0.25 -0.68 0.00 0.00 178.15 177.27 2qct h TRP 118 N 0.74 -0.20 -0.99 1.37 2.91 -0.73 0.91 115.95 119.95 2qct h TRP 118 Ca 0.48 -0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.72 2qct h TRP 118 Cb 0.62 0.06 -0.09 0.00 -0.51 0.00 0.00 29.16 29.24 2qct h TRP 118 CO -0.06 0.24 0.63 1.49 -1.03 0.00 0.00 178.44 179.71 2qct h GLU 119 N -0.77 0.51 -0.02 2.65 4.81 0.20 0.00 114.58 121.96 2qct h GLU 119 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2qct h GLU 119 Cb 0.53 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2qct h GLU 119 CO 0.04 0.34 -0.31 0.66 -0.73 0.00 0.00 179.01 179.00 2qct n TYR 120 N -4.65 0.00 -3.27 0.92 4.02 -0.87 -5.00 117.16 108.31 2qct n TYR 120 Ca 0.23 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.97 2qct n TYR 120 Cb 0.73 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 40.11 2qct n TYR 120 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qct n SER 121 N 0.26 -2.37 -4.77 7.72 7.64 -0.01 -4.73 113.62 117.36 2qct n SER 121 Ca 0.11 -0.57 -0.39 0.00 1.01 0.00 0.00 58.87 59.03 2qct n SER 121 Cb 0.48 -4.68 -0.03 0.00 -1.01 0.00 0.00 64.21 58.97 2qct n SER 121 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qct s VAL 122 N -3.33 3.33 -0.14 0.44 1.01 0.13 -4.86 120.40 116.98 2qct s VAL 122 Ca 0.03 1.24 0.13 0.00 0.00 0.00 0.00 61.98 63.38 2qct s VAL 122 Cb -0.00 -3.75 -0.18 0.00 0.00 0.00 0.00 36.38 32.45 2qct s VAL 122 CO 0.66 0.22 0.05 -0.11 0.00 0.00 0.00 175.10 175.92 2qct n LEU 123 N 0.71 0.06 -4.20 3.92 7.94 -1.26 -4.84 117.00 119.32 2qct n LEU 123 Ca 0.01 -0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.62 2qct n LEU 123 Cb 0.45 0.34 -0.16 0.00 0.53 0.00 0.00 43.42 44.58 2qct n LEU 123 CO 0.53 0.37 -0.53 -0.63 -1.11 0.00 0.00 177.39 176.01 2qct s ILE 124 N -2.35 1.75 -0.20 1.96 1.09 -1.26 0.25 121.20 122.44 2qct s ILE 124 Ca -0.08 -0.89 0.01 0.00 -1.10 0.00 0.00 60.65 58.60 2qct s ILE 124 Cb 0.04 -1.50 0.03 0.00 -1.06 0.00 0.00 42.46 39.97 2qct s ILE 124 CO 0.59 0.49 -0.17 -0.63 -0.10 0.00 0.00 174.94 175.12 2qct s ILE 125 N 0.01 2.13 -0.45 2.92 1.01 -0.11 -2.09 121.20 124.62 2qct s ILE 125 Ca -0.06 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 59.33 2qct s ILE 125 Cb -0.13 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.39 2qct s ILE 125 CO 0.04 0.41 0.52 -0.69 0.00 0.00 0.00 174.94 175.21 2qct s VAL 126 N 1.25 4.99 -0.66 2.92 1.01 0.95 -0.47 120.40 130.40 2qct s VAL 126 Ca 0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 2qct s VAL 126 Cb -0.15 -4.14 0.17 0.00 0.00 0.00 0.00 36.38 32.27 2qct s VAL 126 CO -0.11 -0.55 0.59 -0.32 0.00 0.00 0.00 175.10 174.71 2qct s MET 127 N 2.37 3.13 -1.15 2.72 0.00 0.19 -1.12 119.30 125.46 2qct s MET 127 Ca 0.15 -2.13 -0.10 0.00 0.00 0.00 0.00 55.69 53.61 2qct s MET 127 Cb -0.17 -4.24 0.25 0.00 0.00 0.00 0.00 34.83 30.67 2qct s MET 127 CO 0.14 -1.28 1.27 0.00 0.00 0.00 0.00 175.02 175.15 2qct n ALA 128 N 4.47 4.29 0.00 4.11 0.00 -0.42 -0.20 120.51 132.76 2qct n ALA 128 Ca 0.01 -4.56 0.00 0.00 0.00 0.00 0.00 53.44 48.89 2qct n ALA 128 Cb 0.43 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2qct n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qct s MET 130 N -0.20 2.85 0.22 0.00 1.00 -1.26 -4.71 119.30 117.20 2qct s MET 130 Ca 0.00 1.81 -0.08 0.00 0.00 0.00 0.00 55.69 57.41 2qct s MET 130 Cb 0.00 -1.92 0.24 0.00 0.00 0.00 0.00 34.83 33.16 2qct s MET 130 CO 0.00 -1.30 1.84 1.49 0.00 0.00 0.00 175.02 177.05 2qct h GLU 131 N 0.69 0.82 -5.27 2.03 4.81 -1.96 -3.41 114.58 112.30 2qct h GLU 131 Ca -0.50 -0.05 -0.60 0.00 -0.13 0.00 0.00 59.36 58.08 2qct h GLU 131 Cb 1.30 -0.18 -0.32 0.00 0.63 0.00 0.00 28.75 30.17 2qct h GLU 131 CO 0.54 0.54 -0.85 0.71 -0.73 0.00 0.00 179.01 179.22 2qct s TYR 132 N -6.10 1.99 -0.06 0.92 2.02 -1.26 -0.80 117.35 114.06 2qct s TYR 132 Ca -0.13 -0.68 -0.05 0.00 -0.37 0.00 0.00 57.07 55.85 2qct s TYR 132 Cb 0.16 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.40 2qct s TYR 132 CO 0.77 -0.26 0.14 -1.21 -1.57 0.00 0.00 175.55 173.43 2qct s GLU 133 N 0.21 0.15 -1.57 -0.62 2.02 -0.94 -4.83 118.70 113.12 2qct s GLU 133 Ca -0.10 0.23 -0.15 0.00 0.02 0.00 0.00 54.97 54.97 2qct s GLU 133 Cb -0.14 0.04 0.10 0.00 0.10 0.00 0.00 34.13 34.23 2qct s GLU 133 CO 0.04 -0.04 0.94 -1.33 0.02 0.00 0.00 175.26 174.89 2qct n MET 134 N 3.20 -5.01 -1.27 1.61 2.81 -1.26 0.16 117.12 117.36 2qct n MET 134 Ca -0.15 0.55 -0.09 0.00 -1.81 0.00 0.00 57.70 56.20 2qct n MET 134 Cb 0.58 -5.40 -0.04 0.00 -0.71 0.00 0.00 33.22 27.65 2qct n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qct n GLY 135 N -1.63 0.95 3.01 3.03 0.00 -1.26 -4.96 105.19 104.33 2qct n GLY 135 Ca 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2qct n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qct s LYS 136 N -2.66 2.16 -0.08 1.61 3.01 0.43 -5.09 119.74 119.13 2qct s LYS 136 Ca 0.00 -0.69 -0.33 0.00 -1.01 0.00 0.00 55.97 53.94 2qct s LYS 136 Cb 0.00 -2.25 -0.11 0.00 -1.01 0.00 0.00 37.83 34.46 2qct s LYS 136 CO 0.00 -0.33 1.92 1.17 0.51 0.00 0.00 175.35 178.63 2qct n LYS 137 N 4.73 2.29 0.00 1.68 4.81 -1.26 -2.22 118.16 128.19 2qct n LYS 137 Ca -0.16 0.83 0.06 0.00 -0.87 0.00 0.00 58.31 58.18 2qct n LYS 137 Cb 0.48 -2.74 -0.05 0.00 0.02 0.00 0.00 35.03 32.75 2qct n LYS 137 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qct n LYS 138 N 6.97 2.33 -3.50 1.64 4.76 0.02 -4.97 118.16 125.41 2qct n LYS 138 Ca 0.23 -0.27 -0.15 0.00 -2.87 0.00 0.00 58.31 55.25 2qct n LYS 138 Cb 0.32 -1.15 -0.05 0.00 -1.84 0.00 0.00 35.03 32.31 2qct n LYS 138 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qct s GLU 140 N -2.36 3.81 0.29 0.00 2.56 -1.16 -4.92 118.70 116.93 2qct s GLU 140 Ca -0.06 -0.40 -0.30 0.00 0.00 0.00 0.00 54.97 54.22 2qct s GLU 140 Cb -0.01 -3.44 -0.13 0.00 2.00 0.00 0.00 34.13 32.55 2qct s GLU 140 CO -0.01 -0.12 1.38 -2.13 -0.56 0.00 0.00 175.26 173.82 2qct n ARG 141 N 4.79 2.15 0.00 4.30 0.63 -1.26 -4.66 116.66 122.62 2qct n ARG 141 Ca -0.15 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2qct n ARG 141 Cb 0.52 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.03 2qct n ARG 141 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2qct n TYR 142 N 1.24 0.00 -3.95 -0.14 4.11 -1.26 -5.06 117.16 112.10 2qct n TYR 142 Ca 0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.68 2qct n TYR 142 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.64 2qct n TYR 142 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 2qct s TRP 143 N -0.18 3.46 0.13 -3.48 -2.14 -1.26 -5.00 118.94 110.47 2qct s TRP 143 Ca 0.00 0.19 -0.02 0.00 2.66 0.00 0.00 56.10 58.93 2qct s TRP 143 Cb 0.00 -1.71 -0.05 0.00 -3.10 0.00 0.00 33.47 28.61 2qct s TRP 143 CO 0.00 0.56 0.33 0.00 -2.66 0.00 0.00 176.95 175.18 2qct s ALA 144 N -1.56 3.87 0.23 2.67 0.00 -1.26 -5.03 121.76 120.69 2qct s ALA 144 Ca 0.34 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.66 2qct s ALA 144 Cb -0.12 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2qct s ALA 144 CO 0.27 0.66 0.07 -1.21 0.00 0.00 0.00 175.76 175.56 2qct s GLU 145 N -2.78 2.57 0.30 0.00 2.02 -1.26 -4.11 118.70 115.44 2qct s GLU 145 Ca 0.39 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.89 2qct s GLU 145 Cb -0.12 -2.37 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 2qct s GLU 145 CO 0.27 0.40 1.46 -1.25 0.02 0.00 0.00 175.26 176.16 2qct s PRO 146 N -3.54 4.22 0.00 0.39 0.04 -1.26 -2.82 135.00 132.03 2qct s PRO 146 Ca 0.31 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2qct s PRO 146 Cb -0.08 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2qct s PRO 146 CO 0.21 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.21 2qct n GLY 147 N 1.64 2.65 3.83 0.56 0.00 -1.26 -5.00 105.19 107.60 2qct n GLY 147 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2qct n GLY 147 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qct s GLU 148 N -0.27 4.16 1.03 1.61 2.12 -1.13 -5.07 118.70 121.14 2qct s GLU 148 Ca 0.00 0.88 -0.13 0.00 0.36 0.00 0.00 54.97 56.08 2qct s GLU 148 Cb 0.00 -2.48 0.20 0.00 0.26 0.00 0.00 34.13 32.12 2qct s GLU 148 CO 0.00 0.16 1.10 1.41 -0.54 0.00 0.00 175.26 177.39 2qct s MET 149 N -2.78 0.21 -0.26 4.30 -2.45 -1.26 -4.87 119.30 112.20 2qct s MET 149 Ca 0.54 0.43 -0.29 0.00 -1.25 0.00 0.00 55.69 55.12 2qct s MET 149 Cb -0.12 -1.72 -0.02 0.00 1.25 0.00 0.00 34.83 34.22 2qct s MET 149 CO 0.17 -2.86 1.59 -0.65 1.05 0.00 0.00 175.02 174.32 2qct s GLN 150 N -5.01 3.74 0.16 4.11 -0.21 -1.26 -4.90 119.66 116.28 2qct s GLN 150 Ca 0.66 1.54 -0.31 0.00 0.02 0.00 0.00 55.36 57.27 2qct s GLN 150 Cb -0.18 -4.04 -0.09 0.00 1.00 0.00 0.00 33.01 29.71 2qct s GLN 150 CO 0.57 -1.36 1.39 -0.51 -2.12 0.00 0.00 175.29 173.26 2qct s LEU 151 N 5.32 4.39 -0.20 2.90 1.02 -0.56 -4.83 118.68 126.72 2qct s LEU 151 Ca 0.70 2.42 -0.11 0.00 0.02 0.00 0.00 54.13 57.16 2qct s LEU 151 Cb -0.23 -3.60 -0.05 0.00 0.02 0.00 0.00 46.19 42.33 2qct s LEU 151 CO 0.29 -0.64 0.16 -0.70 0.02 0.00 0.00 176.35 175.49 2qct s GLU 152 N 0.55 4.20 -0.52 1.70 2.56 -1.26 -1.39 118.70 124.53 2qct s GLU 152 Ca 0.62 -0.16 0.04 0.00 0.00 0.00 0.00 54.97 55.47 2qct s GLU 152 Cb -0.38 -3.43 0.17 0.00 2.00 0.00 0.00 34.13 32.49 2qct s GLU 152 CO 0.34 0.27 0.40 -0.06 -0.56 0.00 0.00 175.26 175.65 2qct s PHE 153 N 0.43 2.04 0.00 5.30 2.99 0.29 -5.01 117.98 124.01 2qct s PHE 153 Ca 0.10 -2.71 0.00 0.00 0.00 0.00 0.00 56.93 54.31 2qct s PHE 153 Cb -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 43.02 41.30 2qct s PHE 153 CO -0.00 -0.72 0.00 0.41 -0.00 0.00 0.00 175.22 174.91 2qct n GLY 154 N 2.52 1.41 0.05 4.36 0.00 -1.26 -2.06 105.19 110.20 2qct n GLY 154 Ca 0.26 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.67 2qct n GLY 154 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qct n PRO 155 N 12.80 1.06 -3.50 1.61 -0.04 -1.26 -4.79 135.00 140.88 2qct n PRO 155 Ca 0.00 -0.09 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 2qct n PRO 155 Cb 0.00 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 2qct n PRO 155 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2qct s PHE 156 N -1.98 3.58 -0.17 0.54 0.40 -0.88 -4.17 117.98 115.30 2qct s PHE 156 Ca 0.28 0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 57.40 2qct s PHE 156 Cb 0.13 -2.34 -0.00 0.00 0.51 0.00 0.00 43.02 41.32 2qct s PHE 156 CO 0.22 0.41 -0.13 -1.12 0.70 0.00 0.00 175.22 175.29 2qct s SER 157 N -0.16 3.76 -0.06 1.36 0.01 -0.09 -0.55 113.70 117.96 2qct s SER 157 Ca 0.21 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.05 2qct s SER 157 Cb -0.15 -1.60 -0.00 0.00 0.21 0.00 0.00 66.02 64.48 2qct s SER 157 CO 0.09 0.05 -0.21 -0.69 0.41 0.00 0.00 173.24 172.89 2qct s VAL 158 N 1.01 1.73 -0.05 3.43 1.01 -0.49 0.25 120.40 127.29 2qct s VAL 158 Ca -0.01 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 2qct s VAL 158 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2qct s VAL 158 CO -0.03 0.49 0.24 -0.94 0.00 0.00 0.00 175.10 174.87 2qct s SER 159 N 0.08 -0.18 -0.25 3.32 1.04 -0.42 -1.50 113.70 115.79 2qct s SER 159 Ca -0.08 0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.48 2qct s SER 159 Cb -0.14 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2qct s SER 159 CO 0.04 -0.24 0.26 0.00 0.98 0.00 0.00 173.24 174.28 2qct n GLU 161 N 4.78 0.65 -3.67 0.00 2.13 -1.10 -4.41 120.64 119.03 2qct n GLU 161 Ca -0.12 0.28 -0.05 0.00 0.66 0.00 0.00 57.16 57.93 2qct n GLU 161 Cb 0.52 -1.77 -0.02 0.00 0.27 0.00 0.00 31.44 30.44 2qct n GLU 161 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qct s ALA 162 N -2.59 -1.68 -0.30 4.31 0.00 -1.26 -5.00 121.76 115.24 2qct s ALA 162 Ca -0.08 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 2qct s ALA 162 Cb 0.08 0.59 0.15 0.00 0.00 0.00 0.00 23.12 23.94 2qct s ALA 162 CO 0.82 -0.93 0.83 -1.83 0.00 0.00 0.00 175.76 174.64 2qct s GLU 163 N -3.28 0.43 -0.12 0.00 -1.05 -1.26 -2.07 118.70 111.35 2qct s GLU 163 Ca 0.10 1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 55.69 2qct s GLU 163 Cb -0.01 0.64 -0.02 0.00 -0.44 0.00 0.00 34.13 34.30 2qct s GLU 163 CO -0.01 -0.16 1.12 0.15 0.95 0.00 0.00 175.26 177.30 2qct s LYS 164 N 2.67 4.34 -0.76 -4.83 1.02 0.55 -4.81 119.74 117.92 2qct s LYS 164 Ca -0.03 1.52 -0.15 0.00 0.02 0.00 0.00 55.97 57.33 2qct s LYS 164 Cb -0.09 -3.59 0.20 0.00 -0.52 0.00 0.00 37.83 33.82 2qct s LYS 164 CO -0.18 -0.47 0.72 1.03 -0.92 0.00 0.00 175.35 175.53 2qct s ARG 165 N 2.49 3.46 0.00 1.68 0.52 -1.26 0.34 118.95 126.18 2qct s ARG 165 Ca 0.51 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 2qct s ARG 165 Cb -0.20 -4.41 0.00 0.00 0.52 0.00 0.00 34.95 30.85 2qct s ARG 165 CO 0.17 -1.32 0.00 1.63 0.02 0.00 0.00 175.30 175.80 2qct n LYS 166 N 4.36 1.80 0.00 3.54 5.02 -0.83 -5.00 118.16 127.05 2qct n LYS 166 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2qct n LYS 166 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2qct n LYS 166 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qct n SER 167 N 0.00 0.00 -1.38 4.39 3.41 -1.26 -4.39 113.62 114.39 2qct n SER 167 Ca 0.00 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 59.02 2qct n SER 167 Cb 0.00 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 2qct n SER 167 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qct n ASP 168 N -0.34 4.01 -3.62 4.04 9.92 -1.26 -4.95 116.55 124.35 2qct n ASP 168 Ca 0.00 -2.07 -0.15 0.00 -0.53 0.00 0.00 54.79 52.03 2qct n ASP 168 Cb 0.00 -0.50 -0.07 0.00 -0.64 0.00 0.00 41.12 39.91 2qct n ASP 168 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2qct s TYR 169 N -1.17 -0.43 -0.13 1.24 1.13 -1.26 -3.73 117.35 112.99 2qct s TYR 169 Ca 0.49 0.66 -0.03 0.00 -1.41 0.00 0.00 57.07 56.78 2qct s TYR 169 Cb 0.26 0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 41.37 2qct s TYR 169 CO 0.31 -0.54 -0.02 0.42 -2.51 0.00 0.00 175.55 173.21 2qct s ILE 170 N -1.53 4.04 -0.37 -3.49 1.01 -0.97 -1.96 121.20 117.93 2qct s ILE 170 Ca -0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 2qct s ILE 170 Cb -0.02 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.71 2qct s ILE 170 CO 0.05 0.53 0.25 -0.63 0.00 0.00 0.00 174.94 175.14 2qct s ILE 171 N -0.04 5.15 0.08 2.92 1.01 0.15 -1.31 121.20 129.16 2qct s ILE 171 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2qct s ILE 171 Cb -0.13 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2qct s ILE 171 CO 0.02 -0.14 0.18 -0.13 0.00 0.00 0.00 174.94 174.87 2qct s ARG 172 N 1.68 3.27 -0.08 2.79 0.52 0.20 -0.33 118.95 127.00 2qct s ARG 172 Ca 0.05 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.74 2qct s ARG 172 Cb -0.18 -2.93 0.01 0.00 0.52 0.00 0.00 34.95 32.37 2qct s ARG 172 CO 0.10 0.58 -0.13 0.95 0.02 0.00 0.00 175.30 176.82 2qct s THR 173 N -1.52 1.24 0.19 0.02 -4.23 -0.88 -0.33 115.64 110.13 2qct s THR 173 Ca 0.33 -0.51 0.08 0.00 -1.18 0.00 0.00 61.69 60.41 2qct s THR 173 Cb -0.12 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 2qct s THR 173 CO 0.26 0.38 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.95 2qct s LEU 174 N 0.87 3.24 -0.30 4.79 1.43 0.14 -2.71 118.68 126.14 2qct s LEU 174 Ca -0.10 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2qct s LEU 174 Cb -0.15 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.24 2qct s LEU 174 CO 0.01 0.08 -0.01 -0.54 0.23 0.00 0.00 176.35 176.12 2qct s LYS 175 N -3.02 2.27 -0.32 1.70 -0.14 0.17 -2.46 119.74 117.95 2qct s LYS 175 Ca 0.27 -1.38 -0.05 0.00 -1.36 0.00 0.00 55.97 53.45 2qct s LYS 175 Cb -0.09 -3.13 0.04 0.00 -1.68 0.00 0.00 37.83 32.97 2qct s LYS 175 CO 0.18 -0.67 0.07 0.08 -0.76 0.00 0.00 175.35 174.25 2qct s VAL 176 N 1.17 3.58 -0.35 3.17 1.01 -0.13 -1.30 120.40 127.55 2qct s VAL 176 Ca -0.04 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 2qct s VAL 176 Cb -0.20 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2qct s VAL 176 CO -0.03 -0.09 0.19 -0.54 0.00 0.00 0.00 175.10 174.63 2qct s LYS 177 N 1.38 3.10 0.04 2.72 1.02 0.14 -2.29 119.74 125.86 2qct s LYS 177 Ca -0.02 -0.89 0.07 0.00 0.02 0.00 0.00 55.97 55.15 2qct s LYS 177 Cb -0.19 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 2qct s LYS 177 CO 0.01 -0.57 -0.17 0.12 -0.92 0.00 0.00 175.35 173.83 2qct s PHE 178 N 1.60 2.59 0.00 3.18 5.36 -1.14 -0.91 117.98 128.66 2qct s PHE 178 Ca 0.04 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 2qct s PHE 178 Cb -0.18 -1.47 0.00 0.00 -0.34 0.00 0.00 43.02 41.02 2qct s PHE 178 CO 0.07 0.27 0.00 0.09 -1.46 0.00 0.00 175.22 174.19 2qct n ASN 179 N 1.52 0.00 0.00 6.13 3.02 -1.26 -0.25 115.26 124.42 2qct n ASN 179 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2qct n ASN 179 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2qct n ASN 179 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2qct n SER 180 N 4.64 0.00 -4.89 6.41 2.88 -1.26 -5.11 113.62 116.29 2qct n SER 180 Ca 0.00 -1.00 -0.30 0.00 -1.33 0.00 0.00 58.87 56.24 2qct n SER 180 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 2qct n SER 180 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2qct s GLU 181 N 0.00 2.88 -0.00 -1.46 2.12 0.65 -5.08 118.70 117.81 2qct s GLU 181 Ca 0.00 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.77 2qct s GLU 181 Cb 0.00 -2.05 -0.01 0.00 0.26 0.00 0.00 34.13 32.33 2qct s GLU 181 CO 0.00 -0.99 -0.11 0.99 -0.54 0.00 0.00 175.26 174.61 2qct s THR 182 N -3.31 0.87 -0.01 -1.70 2.01 -1.26 -2.91 115.64 109.33 2qct s THR 182 Ca 0.58 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 2qct s THR 182 Cb -0.11 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.66 2qct s THR 182 CO 0.51 0.20 0.13 -0.13 -0.69 0.00 0.00 174.62 174.64 2qct s ARG 183 N -0.39 0.40 -0.55 4.92 0.52 -0.97 -4.98 118.95 117.90 2qct s ARG 183 Ca 0.03 -0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 54.91 2qct s ARG 183 Cb -0.05 0.17 0.14 0.00 0.52 0.00 0.00 34.95 35.73 2qct s ARG 183 CO -0.00 -0.09 0.41 0.99 0.02 0.00 0.00 175.30 176.63 2qct s THR 184 N -1.02 4.16 0.34 0.02 2.01 -1.26 -0.96 115.64 118.93 2qct s THR 184 Ca -0.11 -2.21 -0.05 0.00 0.31 0.00 0.00 61.69 59.63 2qct s THR 184 Cb -0.06 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2qct s THR 184 CO 0.01 -0.83 0.61 -0.63 -0.69 0.00 0.00 174.62 173.10 2qct s ILE 185 N 0.81 4.98 -0.15 1.82 1.09 -1.03 -4.85 121.20 123.87 2qct s ILE 185 Ca 0.10 0.10 0.01 0.00 -1.10 0.00 0.00 60.65 59.76 2qct s ILE 185 Cb -0.22 -3.76 0.02 0.00 -1.06 0.00 0.00 42.46 37.43 2qct s ILE 185 CO -0.03 -0.44 -0.15 -0.31 -0.10 0.00 0.00 174.94 173.91 2qct s TYR 186 N -2.23 2.20 -0.19 3.97 1.51 0.14 0.23 117.35 122.98 2qct s TYR 186 Ca 0.45 -1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 55.23 2qct s TYR 186 Cb -0.10 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 2qct s TYR 186 CO 0.33 -0.65 0.04 -1.14 -1.11 0.00 0.00 175.55 173.01 2qct s GLN 187 N 1.39 3.82 -0.38 -0.62 0.74 0.55 -0.94 119.66 124.22 2qct s GLN 187 Ca 0.03 -0.42 -0.12 0.00 0.05 0.00 0.00 55.36 54.90 2qct s GLN 187 Cb -0.13 -3.16 0.02 0.00 1.10 0.00 0.00 33.01 30.85 2qct s GLN 187 CO -0.09 0.16 0.23 -0.06 -0.55 0.00 0.00 175.29 174.98 2qct s PHE 188 N 0.64 3.24 -0.54 1.67 0.40 0.38 0.62 117.98 124.39 2qct s PHE 188 Ca 0.02 -0.85 -0.16 0.00 -0.60 0.00 0.00 56.93 55.34 2qct s PHE 188 Cb -0.13 -2.48 0.13 0.00 0.51 0.00 0.00 43.02 41.04 2qct s PHE 188 CO 0.02 -0.63 0.50 -1.58 0.70 0.00 0.00 175.22 174.23 2qct s HIS 189 N 1.59 3.25 -1.25 0.36 2.46 -0.43 0.56 115.29 121.83 2qct s HIS 189 Ca 0.03 -1.29 -0.08 0.00 0.47 0.00 0.00 55.06 54.20 2qct s HIS 189 Cb -0.19 -3.78 -0.03 0.00 -0.13 0.00 0.00 32.58 28.45 2qct s HIS 189 CO 0.08 -1.01 2.83 0.98 -2.47 0.00 0.00 174.74 175.14 2qct n TYR 190 N 5.24 2.15 -0.77 3.88 9.36 0.72 -2.28 117.16 135.46 2qct n TYR 190 Ca -0.14 -2.74 -0.27 0.00 3.32 0.00 0.00 57.90 58.07 2qct n TYR 190 Cb 0.40 -2.09 -0.03 0.00 -0.63 0.00 0.00 39.34 36.99 2qct n TYR 190 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2qct n LYS 191 N 2.62 1.60 0.00 2.98 2.85 -1.24 -3.91 118.16 123.05 2qct n LYS 191 Ca 0.67 -1.45 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 2qct n LYS 191 Cb 0.34 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.17 2qct n LYS 191 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2qct n ASN 192 N 5.48 0.00 -4.77 -5.58 4.05 -1.26 -4.88 115.26 108.30 2qct n ASN 192 Ca 0.41 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 55.05 2qct n ASN 192 Cb 0.21 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.18 2qct n ASN 192 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 2qct s TRP 193 N 0.00 3.47 -0.08 1.20 -0.11 -1.26 -4.89 118.94 117.27 2qct s TRP 193 Ca 0.00 1.69 -0.13 0.00 1.22 0.00 0.00 56.10 58.88 2qct s TRP 193 Cb 0.00 -3.21 -0.06 0.00 -1.50 0.00 0.00 33.47 28.70 2qct s TRP 193 CO 0.00 -0.54 0.40 -2.30 -4.62 0.00 0.00 176.95 169.89 2qct n PRO 194 N 0.69 0.00 -0.10 5.86 -0.02 -1.26 -4.82 135.00 135.36 2qct n PRO 194 Ca 0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.47 2qct n PRO 194 Cb 0.47 -0.45 -0.02 0.00 -0.02 0.00 0.00 33.50 33.47 2qct n PRO 194 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2qct n ASP 195 N 0.84 -0.25 -4.01 2.55 2.03 -1.26 -4.62 116.55 111.82 2qct n ASP 195 Ca 0.08 0.77 -0.09 0.00 0.52 0.00 0.00 54.79 56.06 2qct n ASP 195 Cb 0.00 -0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 40.09 2qct n ASP 195 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2qct s HIS 196 N -3.91 0.53 -1.39 -0.67 3.76 -1.26 -5.00 115.29 107.34 2qct s HIS 196 Ca -0.03 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 53.98 2qct s HIS 196 Cb 0.03 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.53 2qct s HIS 196 CO 0.15 -0.65 0.64 -0.40 -0.85 0.00 0.00 174.74 173.63 2qct n ASP 197 N -0.17 0.56 -0.00 1.40 5.68 -1.26 -4.12 116.55 118.64 2qct n ASP 197 Ca -0.07 -1.85 -0.02 0.00 -0.50 0.00 0.00 54.79 52.35 2qct n ASP 197 Cb 0.63 -0.28 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 2qct n ASP 197 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2qct n VAL 198 N -0.17 0.57 -0.26 2.12 0.31 -1.26 -4.70 118.33 114.94 2qct n VAL 198 Ca 0.00 0.25 -0.08 0.00 -0.01 0.00 0.00 64.34 64.50 2qct n VAL 198 Cb 0.14 -1.50 0.07 0.00 -0.91 0.00 0.00 33.84 31.64 2qct n VAL 198 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qct n PRO 199 N -3.09 -0.63 -0.83 5.55 -0.02 -1.26 -4.79 135.00 129.93 2qct n PRO 199 Ca -0.02 -0.36 -0.17 0.00 -2.02 0.00 0.00 63.50 60.93 2qct n PRO 199 Cb 0.09 -0.75 0.07 0.00 -0.02 0.00 0.00 33.50 32.90 2qct n PRO 199 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qct n SER 200 N -1.32 4.99 0.00 2.55 2.88 -1.26 -4.30 113.62 117.16 2qct n SER 200 Ca 0.03 -3.04 0.15 0.00 -1.33 0.00 0.00 58.87 54.68 2qct n SER 200 Cb 0.15 -0.86 0.83 0.00 -0.75 0.00 0.00 64.21 63.58 2qct n SER 200 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qct n SER 201 N -0.16 0.00 -1.24 -3.46 3.41 -1.26 -3.45 113.62 107.47 2qct n SER 201 Ca 0.35 -0.47 0.05 0.00 -0.26 0.00 0.00 58.87 58.53 2qct n SER 201 Cb 0.89 -0.18 0.23 0.00 -0.26 0.00 0.00 64.21 64.89 2qct n SER 201 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2qct n ILE 202 N -1.18 1.45 0.05 -1.33 -0.00 -1.26 -4.21 119.36 112.89 2qct n ILE 202 Ca 0.18 -0.78 -0.09 0.00 -0.00 0.00 0.00 62.75 62.06 2qct n ILE 202 Cb 0.19 -0.27 -0.06 0.00 -0.00 0.00 0.00 39.64 39.50 2qct n ILE 202 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2qct h ASP 203 N 2.37 -0.18 -0.68 7.28 3.45 -1.94 -3.26 116.42 123.46 2qct h ASP 203 Ca 0.00 -0.29 0.16 0.00 0.43 0.00 0.00 57.03 57.32 2qct h ASP 203 Cb 1.24 0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 40.02 2qct h ASP 203 CO 0.24 0.39 0.46 1.55 -1.57 0.00 0.00 179.24 180.31 2qct h PRO 204 N -0.95 0.23 0.00 3.56 0.13 -1.88 0.95 132.00 134.04 2qct h PRO 204 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2qct h PRO 204 Cb 0.46 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.54 2qct h PRO 204 CO 0.04 0.15 0.00 0.97 -0.23 0.00 0.00 178.00 178.93 2qct h ILE 205 N 0.24 0.00 0.11 -3.56 2.10 -1.80 -0.21 117.51 114.39 2qct h ILE 205 Ca 0.33 -0.26 -0.34 0.00 1.08 0.00 0.00 64.86 65.67 2qct h ILE 205 Cb 0.95 1.01 -0.02 0.00 -1.09 0.00 0.00 36.82 37.68 2qct h ILE 205 CO -0.07 0.00 -1.86 -0.07 -1.08 0.00 0.00 178.15 175.07 2qct h LEU 206 N 0.00 0.36 -0.72 2.19 4.07 -0.88 -3.10 115.31 117.24 2qct h LEU 206 Ca 0.00 -0.73 0.08 0.00 0.08 0.00 0.00 57.88 57.31 2qct h LEU 206 Cb 0.38 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.93 2qct h LEU 206 CO 0.00 1.64 0.39 -0.33 -1.08 0.00 0.00 178.44 179.06 2qct h GLU 207 N 0.06 0.66 -0.25 1.13 5.08 -0.61 0.15 114.58 120.79 2qct h GLU 207 Ca -0.37 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2qct h GLU 207 Cb 2.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 2qct h GLU 207 CO 0.11 0.43 0.15 1.25 -1.00 0.00 0.00 179.01 179.95 2qct h LEU 208 N 0.68 0.31 -1.63 1.33 5.85 -1.18 -0.33 115.31 120.33 2qct h LEU 208 Ca 0.34 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2qct h LEU 208 Cb 0.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2qct h LEU 208 CO -0.23 0.27 -0.19 0.40 -0.34 0.00 0.00 178.44 178.35 2qct h ILE 209 N 0.31 0.75 -0.03 4.05 1.08 -1.21 -1.95 117.51 120.52 2qct h ILE 209 Ca 0.09 -0.78 -0.19 0.00 -0.39 0.00 0.00 64.86 63.58 2qct h ILE 209 Cb 0.02 1.48 0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2qct h ILE 209 CO -0.02 0.19 -0.74 -0.25 -0.69 0.00 0.00 178.15 176.64 2qct h TRP 210 N 0.00 0.80 -0.45 1.37 7.01 0.14 -2.68 115.95 122.14 2qct h TRP 210 Ca -0.00 -0.41 -0.03 0.00 2.11 0.00 0.00 58.89 60.56 2qct h TRP 210 Cb 0.46 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 2qct h TRP 210 CO 0.00 1.23 0.18 -0.44 -2.79 0.00 0.00 178.44 176.63 2qct h ASP 211 N 0.13 0.62 -0.38 2.65 3.32 -0.70 -1.75 116.42 120.32 2qct h ASP 211 Ca -0.08 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.81 2qct h ASP 211 Cb 1.42 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 2qct h ASP 211 CO 0.15 0.62 0.22 -0.37 -1.72 0.00 0.00 179.24 178.14 2qct h VAL 212 N 0.59 1.04 0.00 -1.35 -1.51 -1.45 0.72 116.25 114.29 2qct h VAL 212 Ca 0.15 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2qct h VAL 212 Cb 0.19 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 2qct h VAL 212 CO -0.01 0.08 0.00 0.54 -1.23 0.00 0.00 177.57 176.95 2qct n ARG 213 N -4.87 0.03 0.11 5.19 5.12 -0.95 -0.04 116.66 121.24 2qct n ARG 213 Ca 0.01 0.34 0.12 0.00 -1.93 0.00 0.00 57.85 56.38 2qct n ARG 213 Cb 0.06 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.02 2qct n ARG 213 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qct n TYR 215 N -2.49 0.20 -3.23 0.00 0.53 0.94 -4.92 117.16 108.20 2qct n TYR 215 Ca 0.03 0.06 -0.02 0.00 -1.02 0.00 0.00 57.90 56.95 2qct n TYR 215 Cb 0.49 -1.03 -0.03 0.00 -1.03 0.00 0.00 39.34 37.73 2qct n TYR 215 CO 0.00 0.00 0.00 -1.14 -1.02 0.00 0.00 176.86 174.70 2qct s GLN 216 N -2.52 0.49 0.00 -0.72 0.74 -0.65 -5.06 119.66 111.94 2qct s GLN 216 Ca -0.17 0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.79 2qct s GLN 216 Cb 0.07 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.24 2qct s GLN 216 CO 0.76 -0.87 0.00 -0.85 -0.55 0.00 0.00 175.29 173.78 2qct n GLU 217 N 5.40 0.00 0.20 1.67 0.00 -1.25 -4.47 120.64 122.18 2qct n GLU 217 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.22 2qct n GLU 217 Cb 0.51 0.00 0.27 0.00 0.00 0.00 0.00 31.44 32.22 2qct n GLU 217 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 2qct h ASP 218 N 0.00 0.00 -1.88 -1.84 2.03 -2.01 -3.41 116.42 109.30 2qct h ASP 218 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 2qct h ASP 218 Cb 0.00 0.00 0.17 0.00 -0.83 0.00 0.00 39.33 38.67 2qct h ASP 218 CO 0.00 0.00 -1.08 -0.67 -1.03 0.00 0.00 179.24 176.46 2qct n ASP 219 N -2.09 -3.39 -4.12 4.15 2.03 -1.26 -4.90 116.55 106.98 2qct n ASP 219 Ca -0.01 0.69 -0.36 0.00 0.52 0.00 0.00 54.79 55.63 2qct n ASP 219 Cb 0.52 -0.85 -0.12 0.00 -0.72 0.00 0.00 41.12 39.96 2qct n ASP 219 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2qct s SER 220 N -0.99 5.23 -0.29 1.67 0.15 -1.26 -4.97 113.70 113.24 2qct s SER 220 Ca 0.57 -2.01 -0.19 0.00 0.70 0.00 0.00 55.95 55.02 2qct s SER 220 Cb -0.53 -1.82 0.17 0.00 -1.71 0.00 0.00 66.02 62.13 2qct s SER 220 CO 0.64 -0.53 1.13 -0.69 1.20 0.00 0.00 173.24 174.99 2qct s VAL 221 N 1.14 0.00 0.30 4.45 1.01 -1.26 -5.15 120.40 120.88 2qct s VAL 221 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2qct s VAL 221 Cb -0.23 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.05 2qct s VAL 221 CO -0.04 0.00 1.36 -2.16 0.00 0.00 0.00 175.10 174.25 2qct s PRO 222 N 0.89 4.32 -0.25 2.72 0.04 -1.18 -4.90 135.00 136.64 2qct s PRO 222 Ca -0.04 2.25 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 2qct s PRO 222 Cb -0.04 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 2qct s PRO 222 CO -0.12 -0.28 0.17 0.42 0.04 0.00 0.00 177.00 177.22 2qct s ILE 223 N -0.69 5.35 -0.27 0.56 1.01 -1.04 -4.51 121.20 121.62 2qct s ILE 223 Ca 0.53 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.16 2qct s ILE 223 Cb -0.40 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2qct s ILE 223 CO 0.49 0.33 0.62 0.00 0.00 0.00 0.00 174.94 176.38 2qct s ILE 225 N 2.52 2.79 -0.21 0.00 1.01 -0.40 -0.03 121.20 126.89 2qct s ILE 225 Ca 0.25 -1.35 -0.27 0.00 0.00 0.00 0.00 60.65 59.28 2qct s ILE 225 Cb -0.15 -2.22 0.09 0.00 0.01 0.00 0.00 42.46 40.19 2qct s ILE 225 CO 0.10 0.22 0.84 -1.38 0.00 0.00 0.00 174.94 174.71 2qct s HIS 226 N -1.03 -0.61 0.00 3.97 -3.43 -0.27 -2.07 115.29 111.85 2qct s HIS 226 Ca 0.16 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.76 2qct s HIS 226 Cb -0.10 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.40 2qct s HIS 226 CO 0.08 -0.39 0.00 0.00 -2.00 0.00 0.00 174.74 172.43 2qct n SER 228 N 0.00 1.82 0.01 0.00 2.88 -1.26 -2.07 113.62 115.00 2qct n SER 228 Ca 0.00 0.58 -0.09 0.00 -1.33 0.00 0.00 58.87 58.03 2qct n SER 228 Cb 0.00 -0.89 -0.14 0.00 -0.75 0.00 0.00 64.21 62.43 2qct n SER 228 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qct h ALA 229 N -0.88 0.62 -0.06 -1.46 0.00 -1.88 -0.15 119.26 115.44 2qct h ALA 229 Ca -0.09 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.52 2qct h ALA 229 Cb 0.72 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qct h ALA 229 CO -0.05 1.46 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2qct n GLY 230 N 1.53 1.43 0.79 0.00 0.00 -1.23 -3.50 105.19 104.21 2qct n GLY 230 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2qct n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qct n GLY 232 N 0.98 -0.93 0.27 0.00 0.00 -1.26 -2.68 105.19 101.57 2qct n GLY 232 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2qct n GLY 232 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qct h ARG 233 N 0.00 0.78 -0.64 1.61 3.08 -1.90 -2.45 114.38 114.87 2qct h ARG 233 Ca 0.00 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 2qct h ARG 233 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2qct h ARG 233 CO 0.00 0.92 0.19 1.79 -1.07 0.00 0.00 179.97 181.80 2qct h THR 234 N 0.69 1.24 -0.45 2.04 1.35 -1.87 -2.06 112.91 113.84 2qct h THR 234 Ca 0.10 -0.83 -0.04 0.00 -0.55 0.00 0.00 66.41 65.09 2qct h THR 234 Cb 0.71 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 2qct h THR 234 CO 0.05 0.32 0.13 1.23 -0.25 0.00 0.00 175.52 177.00 2qct h GLY 235 N 1.04 0.77 0.56 5.82 0.00 -1.37 -0.82 103.07 109.06 2qct h GLY 235 Ca 0.21 -0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.16 2qct h GLY 235 CO -0.01 0.44 0.52 -2.08 0.00 0.00 0.00 176.54 175.40 2qct h VAL 236 N 0.60 0.94 -0.09 4.60 2.07 -0.94 0.29 116.25 123.72 2qct h VAL 236 Ca 0.14 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.22 2qct h VAL 236 Cb 0.29 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2qct h VAL 236 CO -0.00 0.16 -0.57 0.40 0.02 0.00 0.00 177.57 177.58 2qct h ILE 237 N 0.87 1.37 -0.23 4.57 2.04 -0.99 -2.20 117.51 122.94 2qct h ILE 237 Ca 0.41 -1.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.29 2qct h ILE 237 Cb 0.34 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2qct h ILE 237 CO -0.23 0.56 -0.25 0.00 0.00 0.00 0.00 178.15 178.22 2qct h ALA 239 N 0.66 0.82 0.03 0.00 0.00 -1.01 -0.98 119.26 118.78 2qct h ALA 239 Ca 0.03 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 2qct h ALA 239 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2qct h ALA 239 CO 0.06 0.70 -0.99 0.82 0.00 0.00 0.00 179.25 179.85 2qct h ILE 240 N 0.25 1.49 -0.29 0.00 2.04 -1.38 -0.84 117.51 118.77 2qct h ILE 240 Ca -0.00 -2.74 -0.16 0.00 1.00 0.00 0.00 64.86 62.96 2qct h ILE 240 Cb 1.08 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.75 2qct h ILE 240 CO 0.09 0.80 -0.47 -0.78 0.00 0.00 0.00 178.15 177.79 2qct h ASP 241 N 0.12 0.86 0.01 1.72 3.58 -1.09 0.18 116.42 121.80 2qct h ASP 241 Ca -0.07 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 2qct h ASP 241 Cb 1.65 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.46 2qct h ASP 241 CO 0.16 1.19 -0.01 0.22 -2.88 0.00 0.00 179.24 177.92 2qct h TYR 242 N 0.63 -0.01 0.00 0.28 -0.00 -1.17 -0.93 116.97 115.76 2qct h TYR 242 Ca 0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.75 2qct h TYR 242 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.78 2qct h TYR 242 CO 0.06 0.24 -0.08 1.15 -0.00 0.00 0.00 178.16 179.53 2qct h THR 243 N -0.26 0.63 -0.01 1.81 2.02 -1.07 -0.13 112.91 115.89 2qct h THR 243 Ca -0.00 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 66.67 2qct h THR 243 Cb 0.26 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2qct h THR 243 CO 0.00 0.08 -0.77 -0.25 0.37 0.00 0.00 175.52 174.95 2qct h TRP 244 N 0.00 0.20 -0.14 3.16 -0.00 -0.56 -3.11 115.95 115.49 2qct h TRP 244 Ca -0.00 -0.10 -0.16 0.00 -0.00 0.00 0.00 58.89 58.63 2qct h TRP 244 Cb 0.20 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.33 2qct h TRP 244 CO 0.00 0.85 -0.58 0.52 -0.00 0.00 0.00 178.44 179.23 2qct h MET 245 N 0.09 0.46 -0.10 2.65 2.86 0.38 -1.50 114.93 119.76 2qct h MET 245 Ca -0.02 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 2qct h MET 245 Cb 1.35 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.05 2qct h MET 245 CO 0.11 0.91 -0.03 -0.07 1.06 0.00 0.00 176.91 178.89 2qct h LEU 246 N 0.34 0.20 0.38 1.22 3.38 -1.49 -2.55 115.31 116.79 2qct h LEU 246 Ca -0.00 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2qct h LEU 246 Cb 1.12 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2qct h LEU 246 CO 0.10 0.54 -0.47 -0.07 0.09 0.00 0.00 178.44 178.63 2qct h LEU 247 N -0.14 -1.32 -1.38 1.67 3.38 -1.54 0.02 115.31 115.99 2qct h LEU 247 Ca 0.02 0.11 0.38 0.00 0.09 0.00 0.00 57.88 58.49 2qct h LEU 247 Cb 0.45 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 41.54 2qct h LEU 247 CO 0.01 -0.59 0.78 0.11 0.09 0.00 0.00 178.44 178.84 2qct h LYS 248 N -0.87 0.18 -0.66 1.13 1.57 -1.27 1.28 116.57 117.93 2qct h LYS 248 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qct h LYS 248 Cb 0.78 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2qct h LYS 248 CO -0.11 0.12 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 2qct n ASP 249 N -4.68 4.33 -4.00 0.86 10.43 -0.91 -4.97 116.55 117.61 2qct n ASP 249 Ca 0.33 -2.26 -0.40 0.00 2.57 0.00 0.00 54.79 55.03 2qct n ASP 249 Cb 1.24 -0.52 0.01 0.00 1.84 0.00 0.00 41.12 43.69 2qct n ASP 249 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qct n GLY 250 N 1.26 -0.77 2.38 0.44 0.00 0.44 -4.90 105.19 104.06 2qct n GLY 250 Ca 0.24 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.61 2qct n GLY 250 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qct n ILE 251 N -4.76 0.81 -2.45 -0.61 0.13 -0.21 -4.96 119.36 107.30 2qct n ILE 251 Ca -0.14 -2.20 -0.42 0.00 -1.10 0.00 0.00 62.75 58.89 2qct n ILE 251 Cb 0.59 1.19 -0.03 0.00 -0.84 0.00 0.00 39.64 40.55 2qct n ILE 251 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 2qct s ILE 252 N -2.42 4.18 0.57 9.51 -1.09 -1.26 -4.92 121.20 125.78 2qct s ILE 252 Ca 0.28 1.54 -0.17 0.00 -2.23 0.00 0.00 60.65 60.07 2qct s ILE 252 Cb 0.34 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 2qct s ILE 252 CO -0.08 0.06 1.06 -2.84 -1.23 0.00 0.00 174.94 171.91 2qct s PRO 253 N 1.61 3.41 0.44 2.79 0.02 -1.26 -4.87 135.00 137.13 2qct s PRO 253 Ca 0.57 1.30 0.11 0.00 0.02 0.00 0.00 61.00 63.00 2qct s PRO 253 Cb -0.27 -2.04 0.96 0.00 0.02 0.00 0.00 34.50 33.17 2qct s PRO 253 CO 0.26 -0.75 2.04 0.93 -0.33 0.00 0.00 177.00 179.15 2qct h GLU 254 N 0.78 0.28 -1.01 5.54 5.08 -1.97 -1.15 114.58 122.13 2qct h GLU 254 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2qct h GLU 254 Cb 1.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2qct h GLU 254 CO 0.58 0.25 0.00 -1.71 -1.00 0.00 0.00 179.01 177.13 2qct n ASN 255 N -4.43 2.18 -4.68 1.42 2.85 -1.26 -4.88 115.26 106.45 2qct n ASN 255 Ca -0.00 -1.94 -0.42 0.00 -0.11 0.00 0.00 54.58 52.11 2qct n ASN 255 Cb 0.14 -0.48 -0.03 0.00 1.24 0.00 0.00 39.78 40.65 2qct n ASN 255 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2qct s PHE 256 N -0.36 3.12 -0.00 1.20 2.19 -0.44 -4.99 117.98 118.71 2qct s PHE 256 Ca 0.00 1.17 0.00 0.00 0.33 0.00 0.00 56.93 58.43 2qct s PHE 256 Cb 0.00 -3.44 0.00 0.00 -1.31 0.00 0.00 43.02 38.27 2qct s PHE 256 CO 0.00 -1.41 -0.01 0.45 1.83 0.00 0.00 175.22 176.08 2qct s SER 257 N 1.57 0.14 0.03 6.13 0.15 -1.26 -5.03 113.70 115.43 2qct s SER 257 Ca 0.56 -0.02 -0.25 0.00 0.70 0.00 0.00 55.95 56.94 2qct s SER 257 Cb -0.24 -0.02 -0.17 0.00 -1.71 0.00 0.00 66.02 63.87 2qct s SER 257 CO 0.21 0.00 1.44 0.58 1.20 0.00 0.00 173.24 176.67 2qct h VAL 258 N 5.20 0.94 -1.20 4.45 2.07 -2.00 -2.86 116.25 122.85 2qct h VAL 258 Ca -0.26 -0.50 0.34 0.00 0.82 0.00 0.00 66.70 67.10 2qct h VAL 258 Cb 1.20 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 2qct h VAL 258 CO 0.51 0.12 0.83 0.15 0.02 0.00 0.00 177.57 179.19 2qct h PHE 259 N -0.46 0.28 0.02 1.57 3.57 -1.99 0.31 116.94 120.25 2qct h PHE 259 Ca -0.02 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 2qct h PHE 259 Cb 0.36 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2qct h PHE 259 CO 0.01 -0.01 -0.96 0.77 -2.23 0.00 0.00 178.31 175.89 2qct h SER 260 N 0.14 0.19 0.10 0.41 0.02 -1.90 -2.48 113.55 110.03 2qct h SER 260 Ca 0.63 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 2qct h SER 260 Cb 2.15 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.63 2qct h SER 260 CO -0.15 1.04 -0.05 0.25 -1.14 0.00 0.00 176.83 176.78 2qct h LEU 261 N 0.06 -0.12 -0.78 5.07 5.85 -0.24 -1.97 115.31 123.18 2qct h LEU 261 Ca -0.05 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.41 2qct h LEU 261 Cb 1.64 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 2qct h LEU 261 CO 0.14 0.22 0.52 0.40 -0.34 0.00 0.00 178.44 179.38 2qct h ILE 262 N -0.47 1.19 -0.27 4.05 5.03 -1.45 -1.36 117.51 124.23 2qct h ILE 262 Ca -0.01 -0.36 0.04 0.00 -0.12 0.00 0.00 64.86 64.40 2qct h ILE 262 Cb 0.39 0.05 -0.06 0.00 -3.03 0.00 0.00 36.82 34.16 2qct h ILE 262 CO 0.02 0.19 -0.46 -0.09 -0.68 0.00 0.00 178.15 177.13 2qct h ARG 263 N 1.05 -0.37 0.00 2.37 1.12 -1.27 0.28 114.38 117.56 2qct h ARG 263 Ca 0.29 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 59.12 2qct h ARG 263 Cb -0.10 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 2qct h ARG 263 CO -0.07 -0.24 -0.30 1.05 -3.11 0.00 0.00 179.97 177.30 2qct h GLU 264 N -0.38 0.00 -0.20 0.20 4.11 -1.15 -2.98 114.58 114.18 2qct h GLU 264 Ca 0.05 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.34 2qct h GLU 264 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2qct h GLU 264 CO -0.46 0.30 -0.43 0.52 0.07 0.00 0.00 179.01 179.02 2qct h MET 265 N 0.00 0.65 -0.06 1.06 2.86 -0.36 -2.70 114.93 116.38 2qct h MET 265 Ca -0.00 -0.43 0.02 0.00 -2.06 0.00 0.00 59.70 57.23 2qct h MET 265 Cb 0.77 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 2qct h MET 265 CO 0.04 1.04 0.09 0.00 1.06 0.00 0.00 176.91 179.14 2qct h ARG 266 N 0.34 0.00 -0.71 1.72 3.08 -0.33 0.15 114.38 118.62 2qct h ARG 266 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2qct h ARG 266 Cb 1.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 2qct h ARG 266 CO 0.09 0.00 0.40 1.15 -1.07 0.00 0.00 179.97 180.55 2qct h THR 267 N 0.00 1.21 0.00 2.04 2.02 -1.37 -2.66 112.91 114.15 2qct h THR 267 Ca 0.03 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 2qct h THR 267 Cb 0.21 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2qct h THR 267 CO -0.00 0.23 -0.97 1.56 0.37 0.00 0.00 175.52 176.70 2qct h GLN 268 N 0.99 0.00 -2.10 6.66 4.20 -0.78 -3.46 115.11 120.63 2qct h GLN 268 Ca 0.25 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.99 2qct h GLN 268 Cb 0.00 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.56 2qct h GLN 268 CO -0.04 0.25 -0.21 0.50 -0.67 0.00 0.00 178.83 178.65 2qct s ARG 269 N -3.06 0.50 -0.37 1.46 3.52 -0.87 -4.62 118.95 115.51 2qct s ARG 269 Ca 0.00 1.30 -0.44 0.00 -0.13 0.00 0.00 55.73 56.47 2qct s ARG 269 Cb 0.08 0.69 -0.18 0.00 -1.56 0.00 0.00 34.95 33.98 2qct s ARG 269 CO 0.78 -0.24 1.63 -0.35 -0.81 0.00 0.00 175.30 176.31 2qct n PRO 270 N 5.43 0.51 -3.62 5.12 -0.04 -1.21 -3.26 135.00 137.93 2qct n PRO 270 Ca -0.10 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 2qct n PRO 270 Cb 0.49 -1.76 0.04 0.00 -0.04 0.00 0.00 33.50 32.23 2qct n PRO 270 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2qct n SER 271 N 4.42 -3.45 0.00 3.54 3.41 -1.26 -4.88 113.62 115.41 2qct n SER 271 Ca 0.28 -0.87 0.02 0.00 -0.26 0.00 0.00 58.87 58.04 2qct n SER 271 Cb 0.03 -4.04 0.10 0.00 -0.26 0.00 0.00 64.21 60.05 2qct n SER 271 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qct n LEU 272 N -4.05 0.00 -3.15 1.04 4.77 -1.20 -3.38 117.00 111.02 2qct n LEU 272 Ca -0.19 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.81 2qct n LEU 272 Cb 0.64 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2qct n LEU 272 CO 0.66 0.00 0.14 -0.69 -1.33 0.00 0.00 177.39 176.17 2qct s VAL 273 N -2.00 -0.91 -2.15 4.08 1.01 -1.16 -3.39 120.40 115.88 2qct s VAL 273 Ca 0.05 0.00 0.26 0.00 0.00 0.00 0.00 61.98 62.29 2qct s VAL 273 Cb 0.02 -0.36 0.29 0.00 0.00 0.00 0.00 36.38 36.34 2qct s VAL 273 CO 0.04 0.00 1.50 0.00 0.00 0.00 0.00 175.10 176.64 2qct n GLN 274 N 4.75 1.29 -4.43 2.72 10.64 -1.22 -4.88 117.38 126.25 2qct n GLN 274 Ca 0.08 -0.87 -0.22 0.00 -1.83 0.00 0.00 57.00 54.17 2qct n GLN 274 Cb 0.56 -1.48 -0.10 0.00 -0.86 0.00 0.00 30.24 28.36 2qct n GLN 274 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2qct s THR 275 N -2.30 2.13 0.03 -0.39 2.01 -1.26 -5.05 115.64 110.81 2qct s THR 275 Ca 0.28 -2.30 -0.24 0.00 0.31 0.00 0.00 61.69 59.74 2qct s THR 275 Cb 0.20 -2.26 -0.17 0.00 0.01 0.00 0.00 72.50 70.28 2qct s THR 275 CO 0.45 -0.44 1.47 -0.61 -0.69 0.00 0.00 174.62 174.81 2qct h GLN 276 N 2.35 0.07 -0.70 4.92 5.75 -1.98 -1.60 115.11 123.91 2qct h GLN 276 Ca -0.40 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.04 2qct h GLN 276 Cb 1.24 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.76 2qct h GLN 276 CO 0.62 0.33 0.25 0.93 -2.65 0.00 0.00 178.83 178.32 2qct h GLU 277 N -0.21 1.05 -0.12 1.69 3.07 -1.99 -1.78 114.58 116.29 2qct h GLU 277 Ca 0.01 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 2qct h GLU 277 Cb 0.30 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 2qct h GLU 277 CO 0.00 0.87 -0.21 1.96 -1.40 0.00 0.00 179.01 180.24 2qct h GLN 278 N 1.02 0.21 -0.00 2.33 4.20 -1.95 -1.30 115.11 119.62 2qct h GLN 278 Ca 0.23 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 2qct h GLN 278 Cb 0.24 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2qct h GLN 278 CO -0.02 0.41 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.64 2qct h TYR 279 N 0.19 0.00 -0.55 2.96 3.20 -0.70 -3.18 116.97 118.90 2qct h TYR 279 Ca 0.03 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2qct h TYR 279 Cb 0.48 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2qct h TYR 279 CO 0.01 0.54 0.37 0.93 -1.64 0.00 0.00 178.16 178.36 2qct h GLU 280 N -0.53 0.41 0.42 1.82 5.08 -1.06 -2.79 114.58 117.93 2qct h GLU 280 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2qct h GLU 280 Cb 0.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2qct h GLU 280 CO 0.00 0.27 -0.34 1.25 -1.00 0.00 0.00 179.01 179.20 2qct h LEU 281 N 0.43 -0.90 -0.86 1.33 7.12 -1.23 0.17 115.31 121.38 2qct h LEU 281 Ca 0.25 0.06 0.22 0.00 0.13 0.00 0.00 57.88 58.53 2qct h LEU 281 Cb 0.41 0.28 -0.15 0.00 -0.53 0.00 0.00 40.66 40.68 2qct h LEU 281 CO -0.07 -0.47 0.06 0.58 -0.13 0.00 0.00 178.44 178.41 2qct h VAL 282 N -0.73 0.23 -0.46 1.05 2.07 -1.49 0.38 116.25 117.30 2qct h VAL 282 Ca -0.05 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 2qct h VAL 282 Cb 0.61 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2qct h VAL 282 CO 0.00 0.02 0.07 0.22 0.02 0.00 0.00 177.57 177.90 2qct h TYR 283 N 0.09 0.81 -0.20 1.57 3.20 -1.30 0.44 116.97 121.58 2qct h TYR 283 Ca 0.50 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2qct h TYR 283 Cb 0.96 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 2qct h TYR 283 CO -0.42 0.76 0.07 -0.91 -1.64 0.00 0.00 178.16 176.02 2qct h ASN 284 N 0.62 0.27 -0.36 -2.11 -0.26 0.25 0.59 115.58 114.59 2qct h ASN 284 Ca 0.14 -0.18 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 2qct h ASN 284 Cb 0.39 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2qct h ASN 284 CO 0.01 0.38 0.07 0.00 -1.06 0.00 0.00 177.43 176.83 2qct h ALA 285 N 0.91 0.48 0.00 -0.83 0.00 -0.32 0.49 119.26 119.99 2qct h ALA 285 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qct h ALA 285 Cb 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qct h ALA 285 CO -0.00 0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.68 2qct h VAL 286 N 0.43 0.05 0.06 0.00 2.07 -0.03 -0.59 116.25 118.26 2qct h VAL 286 Ca 0.11 -0.30 -0.30 0.00 0.82 0.00 0.00 66.70 67.04 2qct h VAL 286 Cb 0.33 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qct h VAL 286 CO 0.00 0.01 -1.60 0.25 0.02 0.00 0.00 177.57 176.25 2qct h LEU 287 N 0.00 0.21 -0.77 2.57 5.85 0.32 -3.00 115.31 120.48 2qct h LEU 287 Ca -0.00 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 2qct h LEU 287 Cb 0.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2qct h LEU 287 CO 0.00 1.30 -0.54 -0.08 -0.34 0.00 0.00 178.44 178.78 2qct h GLU 288 N 0.04 0.00 -0.06 1.25 4.22 0.74 -3.00 114.58 117.76 2qct h GLU 288 Ca -0.26 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.14 2qct h GLU 288 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2qct h GLU 288 CO 0.12 0.54 -0.13 -0.07 -2.18 0.00 0.00 179.01 177.28 2qct h LEU 289 N 0.00 0.23 -1.69 1.64 3.38 -1.21 0.38 115.31 118.03 2qct h LEU 289 Ca -0.01 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2qct h LEU 289 Cb 1.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2qct h LEU 289 CO 0.07 0.76 0.13 -0.26 0.09 0.00 0.00 178.44 179.22 2qct h PHE 290 N -0.29 0.32 0.14 1.13 0.05 -1.56 -0.68 116.94 116.05 2qct h PHE 290 Ca 0.00 0.00 -0.27 0.00 3.82 0.00 0.00 57.97 61.53 2qct h PHE 290 Cb 0.72 -0.11 0.03 0.00 2.00 0.00 0.00 35.95 38.59 2qct h PHE 290 CO 0.12 0.23 -1.13 -0.22 -0.18 0.00 0.00 178.31 177.13 2qct h LYS 291 N 0.34 0.51 -0.37 1.51 3.64 -1.52 -3.32 116.57 117.35 2qct h LYS 291 Ca 0.09 -0.74 0.04 0.00 -1.27 0.00 0.00 60.65 58.77 2qct h LYS 291 Cb 0.02 0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 2qct h LYS 291 CO -0.01 1.33 -0.50 -0.09 -2.27 0.00 0.00 179.45 177.91 2qct h ARG 292 N 0.05 -0.33 -6.48 1.90 9.65 0.86 -3.37 114.38 116.66 2qct h ARG 292 Ca -0.18 0.02 -0.53 0.00 -1.10 0.00 0.00 59.98 58.19 2qct h ARG 292 Cb 1.85 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.49 2qct h ARG 292 CO 0.21 -0.22 0.46 -0.65 2.80 0.00 0.00 179.97 182.58 2qct s GLN 293 N -5.33 4.51 0.00 0.20 1.11 -0.37 -5.07 119.66 114.72 2qct s GLN 293 Ca -0.13 1.61 0.00 0.00 0.01 0.00 0.00 55.36 56.85 2qct s GLN 293 Cb 0.07 -3.39 0.00 0.00 -1.01 0.00 0.00 33.01 28.69 2qct s GLN 293 CO 0.54 -0.11 0.00 0.00 0.01 0.00 0.00 175.29 175.73