#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4i n ALA 3 N 0.00 0.00 -1.54 4.61 0.00 -1.26 -4.97 120.51 117.34 2k4i n ALA 3 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2k4i n ALA 3 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2k4i n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k4i n ARG 4 N -1.47 1.12 -2.39 0.00 3.00 -1.26 -1.75 116.66 113.91 2k4i n ARG 4 Ca 0.00 0.13 -0.13 0.00 -0.01 0.00 0.00 57.85 57.84 2k4i n ARG 4 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 32.46 29.34 2k4i n ARG 4 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2k4i n ASN 5 N 13.98 -4.03 -1.00 0.55 3.02 -1.26 -4.62 115.26 121.90 2k4i n ASN 5 Ca 0.39 0.19 0.08 0.00 -0.03 0.00 0.00 54.58 55.21 2k4i n ASN 5 Cb 0.44 -3.43 -0.02 0.00 -0.61 0.00 0.00 39.78 36.16 2k4i n ASN 5 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2k4i n SER 6 N -1.76 -5.95 -0.02 6.41 7.64 -0.72 -4.57 113.62 114.66 2k4i n SER 6 Ca -0.15 0.62 -0.21 0.00 1.01 0.00 0.00 58.87 60.14 2k4i n SER 6 Cb 0.61 -1.80 -0.14 0.00 -1.01 0.00 0.00 64.21 61.87 2k4i n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2k4i n VAL 7 N -2.58 1.74 -2.30 0.44 0.31 -1.26 -4.75 118.33 109.93 2k4i n VAL 7 Ca 0.00 -0.59 -0.38 0.00 -0.01 0.00 0.00 64.34 63.36 2k4i n VAL 7 Cb 0.26 -1.74 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 2k4i n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2k4i s LEU 8 N -7.08 4.21 0.00 7.52 1.43 -1.26 -5.05 118.68 118.45 2k4i s LEU 8 Ca -0.24 2.35 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 2k4i s LEU 8 Cb 0.07 -4.00 0.13 0.00 0.03 0.00 0.00 46.19 42.41 2k4i s LEU 8 CO 0.74 -0.65 0.86 0.54 0.23 0.00 0.00 176.35 178.06 2k4i n ARG 9 N 0.13 -0.16 -0.05 1.70 1.74 -1.26 -4.96 116.66 113.80 2k4i n ARG 9 Ca 0.04 -2.11 -0.02 0.00 -0.77 0.00 0.00 57.85 54.99 2k4i n ARG 9 Cb 0.46 -0.64 -0.01 0.00 -1.02 0.00 0.00 32.46 31.26 2k4i n ARG 9 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2k4i h GLY 10 N -0.64 0.00 1.40 -0.13 0.00 -1.96 -2.79 103.07 98.95 2k4i h GLY 10 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2k4i h GLY 10 CO 0.28 0.00 0.15 0.50 0.00 0.00 0.00 176.54 177.47 2k4i h LYS 11 N -0.85 0.76 -0.23 4.80 6.56 -2.02 -2.58 116.57 123.01 2k4i h LYS 11 Ca 0.00 -0.13 -0.16 0.00 -1.06 0.00 0.00 60.65 59.30 2k4i h LYS 11 Cb 0.18 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 2k4i h LYS 11 CO 0.00 0.67 -0.50 0.87 -2.06 0.00 0.00 179.45 178.42 2k4i h LYS 12 N 0.74 0.65 -0.80 3.15 6.56 -1.99 -3.01 116.57 121.87 2k4i h LYS 12 Ca 0.17 -0.38 0.21 0.00 -1.06 0.00 0.00 60.65 59.59 2k4i h LYS 12 Cb 0.23 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 2k4i h LYS 12 CO -0.01 1.00 0.56 0.00 -2.06 0.00 0.00 179.45 178.94 2k4i h ALA 13 N 0.94 2.57 0.54 3.86 0.00 -1.17 -1.64 119.26 124.36 2k4i h ALA 13 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k4i h ALA 13 Cb 1.05 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k4i h ALA 13 CO 0.10 -0.81 -0.26 0.22 0.00 0.00 0.00 179.25 178.50 2k4i h ASP 14 N 0.12 -0.62 -0.99 0.00 3.58 -1.53 0.72 116.42 117.70 2k4i h ASP 14 Ca 0.39 0.02 0.15 0.00 0.42 0.00 0.00 57.03 58.01 2k4i h ASP 14 Cb 1.37 0.16 -0.09 0.00 1.72 0.00 0.00 39.33 42.49 2k4i h ASP 14 CO -0.05 -0.42 0.62 -0.33 -2.88 0.00 0.00 179.24 176.18 2k4i h GLU 15 N -0.78 0.86 -0.21 0.28 3.07 -1.57 0.10 114.58 116.33 2k4i h GLU 15 Ca -0.07 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2k4i h GLU 15 Cb 0.56 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2k4i h GLU 15 CO 0.12 0.57 0.09 1.25 -1.40 0.00 0.00 179.01 179.64 2k4i h LEU 16 N 0.88 0.29 -0.39 1.33 7.12 -1.23 -1.51 115.31 121.79 2k4i h LEU 16 Ca 0.52 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.38 2k4i h LEU 16 Cb 0.65 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 2k4i h LEU 16 CO -0.29 0.35 0.00 1.21 -0.13 0.00 0.00 178.44 179.58 2k4i n GLU 17 N -4.84 0.16 0.09 1.25 4.07 0.24 -2.96 120.64 118.65 2k4i n GLU 17 Ca -0.03 0.32 -0.23 0.00 -0.06 0.00 0.00 57.16 57.16 2k4i n GLU 17 Cb 0.11 -1.76 -0.15 0.00 -0.06 0.00 0.00 31.44 29.58 2k4i n GLU 17 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2k4i h ARG 18 N 0.00 0.41 -6.63 5.31 2.43 -0.13 -3.41 114.38 112.35 2k4i h ARG 18 Ca 0.00 -0.70 -0.58 0.00 -0.81 0.00 0.00 59.98 57.88 2k4i h ARG 18 Cb 0.42 0.26 0.10 0.00 -0.42 0.00 0.00 29.97 30.33 2k4i h ARG 18 CO 0.00 1.34 0.46 -0.89 -1.51 0.00 0.00 179.97 179.37 2k4i n ILE 19 N -3.78 1.64 -4.33 1.20 5.41 -0.64 -4.89 119.36 113.97 2k4i n ILE 19 Ca -0.20 -0.41 -0.33 0.00 1.00 0.00 0.00 62.75 62.80 2k4i n ILE 19 Cb 1.02 -1.41 -0.09 0.00 -0.71 0.00 0.00 39.64 38.45 2k4i n ILE 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4i s ARG 20 N -1.32 2.83 0.53 0.38 3.03 -1.08 -2.01 118.95 121.31 2k4i s ARG 20 Ca 0.60 -0.55 0.18 0.00 2.03 0.00 0.00 55.73 57.99 2k4i s ARG 20 Cb -0.63 -2.70 1.32 0.00 -1.03 0.00 0.00 34.95 31.92 2k4i s ARG 20 CO 0.58 0.65 2.13 -0.07 -1.13 0.00 0.00 175.30 177.46 2k4i h LEU 21 N 4.62 0.00 -8.35 -1.89 3.38 -0.84 -0.92 115.31 111.30 2k4i h LEU 21 Ca -0.49 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.24 2k4i h LEU 21 Cb 1.18 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.76 2k4i h LEU 21 CO 0.56 0.00 -0.71 -0.13 0.09 0.00 0.00 178.44 178.25 2k4i s ARG 22 N -5.04 0.74 0.27 1.13 0.52 -1.26 -4.23 118.95 111.08 2k4i s ARG 22 Ca -0.05 -1.15 0.05 0.00 -0.52 0.00 0.00 55.73 54.06 2k4i s ARG 22 Cb 0.17 -0.23 0.38 0.00 0.52 0.00 0.00 34.95 35.79 2k4i s ARG 22 CO 0.67 0.00 1.65 -1.00 0.02 0.00 0.00 175.30 176.65 2k4i h PRO 23 N 3.46 0.28 -0.26 3.54 0.13 -1.97 -3.15 132.00 134.03 2k4i h PRO 23 Ca -0.35 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k4i h PRO 23 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k4i h PRO 23 CO 0.57 0.68 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 2k4i n GLY 24 N -0.06 3.57 1.47 1.56 0.00 -1.26 -5.02 105.19 105.46 2k4i n GLY 24 Ca -0.02 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 2k4i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 25 N -0.20 2.05 0.00 -0.02 0.00 -1.19 -5.05 105.19 100.78 2k4i n GLY 25 Ca 0.16 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2k4i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4i n LYS 26 N -1.42 1.14 -3.11 1.61 5.02 -1.26 -4.88 118.16 115.25 2k4i n LYS 26 Ca 0.05 -0.88 -0.39 0.00 -2.02 0.00 0.00 58.31 55.07 2k4i n LYS 26 Cb 0.23 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.39 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4i s LYS 27 N -0.43 4.41 0.09 1.97 1.02 -1.26 -5.01 119.74 120.53 2k4i s LYS 27 Ca 0.00 0.80 0.06 0.00 0.02 0.00 0.00 55.97 56.85 2k4i s LYS 27 Cb 0.00 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2k4i s LYS 27 CO 0.00 0.13 -0.09 0.15 -0.92 0.00 0.00 175.35 174.62 2k4i s LYS 28 N 0.60 2.21 0.43 1.68 1.02 -1.26 -0.10 119.74 124.32 2k4i s LYS 28 Ca 0.35 -0.98 -0.26 0.00 0.02 0.00 0.00 55.97 55.10 2k4i s LYS 28 Cb -0.17 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 2k4i s LYS 28 CO 0.17 0.52 1.44 0.66 -0.92 0.00 0.00 175.35 177.22 2k4i n TYR 29 N 0.76 2.75 -3.99 3.18 4.01 -0.85 -4.85 117.16 118.17 2k4i n TYR 29 Ca -0.13 0.44 -0.09 0.00 -0.16 0.00 0.00 57.90 57.96 2k4i n TYR 29 Cb 0.52 -2.48 -0.06 0.00 -0.31 0.00 0.00 39.34 37.02 2k4i n TYR 29 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2k4i s ARG 30 N -2.35 1.45 0.48 -0.72 3.52 -1.26 -4.34 118.95 115.73 2k4i s ARG 30 Ca 0.59 -1.24 0.28 0.00 -0.13 0.00 0.00 55.73 55.23 2k4i s ARG 30 Cb -0.46 0.44 1.35 0.00 -1.56 0.00 0.00 34.95 34.73 2k4i s ARG 30 CO 0.59 -0.59 1.81 1.25 -0.81 0.00 0.00 175.30 177.55 2k4i h LEU 31 N 2.32 0.18 -0.55 -0.88 5.85 -2.00 0.91 115.31 121.15 2k4i h LEU 31 Ca -0.28 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.56 2k4i h LEU 31 Cb 1.25 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 2k4i h LEU 31 CO 0.39 0.04 0.18 0.11 -0.34 0.00 0.00 178.44 178.82 2k4i h LYS 32 N 0.16 0.34 -0.26 1.25 1.79 -1.98 -1.26 116.57 116.61 2k4i h LYS 32 Ca 0.55 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.90 2k4i h LYS 32 Cb 1.85 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.40 2k4i h LYS 32 CO -0.12 0.22 -0.24 0.45 -1.08 0.00 0.00 179.45 178.68 2k4i h HIS 33 N 0.35 0.56 -0.49 -1.35 3.86 -1.22 -2.71 115.15 114.15 2k4i h HIS 33 Ca 0.27 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2k4i h HIS 33 Cb 0.33 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2k4i h HIS 33 CO -0.18 0.70 0.03 0.82 0.86 0.00 0.00 177.93 180.16 2k4i h ILE 34 N 0.44 1.24 -0.46 2.45 2.04 -1.14 -1.98 117.51 120.10 2k4i h ILE 34 Ca 0.07 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 2k4i h ILE 34 Cb 0.66 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2k4i h ILE 34 CO 0.05 0.34 -0.12 0.58 0.00 0.00 0.00 178.15 179.00 2k4i h VAL 35 N 0.75 1.27 0.00 1.67 2.07 -1.13 0.55 116.25 121.42 2k4i h VAL 35 Ca 0.15 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 2k4i h VAL 35 Cb 0.41 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2k4i h VAL 35 CO 0.01 0.43 -0.32 -0.25 0.02 0.00 0.00 177.57 177.46 2k4i h TRP 36 N 0.74 0.00 0.00 1.57 7.01 -1.27 -1.15 115.95 122.85 2k4i h TRP 36 Ca 0.12 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 2k4i h TRP 36 Cb 0.67 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.72 2k4i h TRP 36 CO 0.05 0.32 -0.10 0.00 -2.79 0.00 0.00 178.44 175.93 2k4i h ALA 37 N 1.68 0.01 -0.62 2.65 0.00 -1.12 -3.16 119.26 118.70 2k4i h ALA 37 Ca -0.00 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2k4i h ALA 37 Cb 0.63 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2k4i h ALA 37 CO 0.04 0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.78 2k4i h ALA 38 N -0.63 1.89 -0.00 0.00 0.00 -0.93 -0.03 119.26 119.55 2k4i h ALA 38 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2k4i h ALA 38 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k4i h ALA 38 CO -0.01 -0.01 -0.39 -0.97 0.00 0.00 0.00 179.25 177.87 2k4i h ASN 39 N 0.53 0.01 -0.22 0.00 -1.24 -1.33 -2.83 115.58 110.49 2k4i h ASN 39 Ca 0.28 -0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.12 2k4i h ASN 39 Cb 0.40 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2k4i h ASN 39 CO -0.08 0.40 -0.51 0.11 -1.29 0.00 0.00 177.43 176.06 2k4i h LYS 40 N 0.01 0.74 0.22 6.67 1.79 -0.97 -2.97 116.57 122.06 2k4i h LYS 40 Ca -0.00 -0.49 -0.01 0.00 -2.18 0.00 0.00 60.65 57.96 2k4i h LYS 40 Cb 0.70 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2k4i h LYS 40 CO 0.05 1.12 -0.13 -0.07 -1.08 0.00 0.00 179.45 179.34 2k4i h LEU 41 N 0.46 -0.31 -0.52 2.94 3.38 -1.29 0.21 115.31 120.18 2k4i h LEU 41 Ca 0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2k4i h LEU 41 Cb 1.12 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 2k4i h LEU 41 CO 0.11 -0.21 0.04 0.44 0.09 0.00 0.00 178.44 178.91 2k4i h ASP 42 N -0.33 -0.15 0.35 -0.43 5.19 -1.25 0.38 116.42 120.18 2k4i h ASP 42 Ca -0.02 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2k4i h ASP 42 Cb 0.27 0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.98 2k4i h ASP 42 CO 0.03 -0.05 -0.17 -0.09 -3.12 0.00 0.00 179.24 175.84 2k4i h ARG 43 N 0.16 -0.45 -0.63 3.56 9.65 -1.33 -3.17 114.38 122.17 2k4i h ARG 43 Ca 0.27 0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.30 2k4i h ARG 43 Cb 0.40 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 28.99 2k4i h ARG 43 CO -0.41 -0.16 0.14 0.74 2.80 0.00 0.00 179.97 183.08 2k4i h PHE 44 N -0.73 0.22 0.00 2.20 0.04 -0.20 -3.45 116.94 115.01 2k4i h PHE 44 Ca -0.05 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k4i h PHE 44 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2k4i h PHE 44 CO 0.01 -0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.09 2k4i n GLY 45 N -1.33 0.41 3.90 -1.45 0.00 0.81 -5.09 105.19 102.45 2k4i n GLY 45 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2k4i n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4i s LEU 46 N 0.00 3.43 0.78 0.99 1.43 0.98 -4.92 118.68 121.36 2k4i s LEU 46 Ca 0.00 1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 2k4i s LEU 46 Cb 0.00 -4.01 0.09 0.00 0.03 0.00 0.00 46.19 42.29 2k4i s LEU 46 CO 0.00 -0.75 1.11 0.00 0.23 0.00 0.00 176.35 176.94 2k4i s ALA 47 N -2.93 2.89 -0.20 4.21 0.00 -1.26 -2.55 121.76 121.92 2k4i s ALA 47 Ca 0.51 -0.90 0.12 0.00 0.00 0.00 0.00 51.96 51.69 2k4i s ALA 47 Cb -0.11 -2.72 -0.22 0.00 0.00 0.00 0.00 23.12 20.07 2k4i s ALA 47 CO 0.48 -1.59 0.04 -0.85 0.00 0.00 0.00 175.76 173.84 2k4i n GLU 48 N -3.17 0.68 0.28 0.00 0.28 -1.26 -4.23 120.64 113.23 2k4i n GLU 48 Ca 0.09 0.08 0.19 0.00 -0.16 0.00 0.00 57.16 57.36 2k4i n GLU 48 Cb 0.61 -1.55 0.96 0.00 1.43 0.00 0.00 31.44 32.88 2k4i n GLU 48 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k4i h SER 49 N 0.00 0.00 0.39 -1.84 4.64 -1.99 -1.36 113.55 113.40 2k4i h SER 49 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2k4i h SER 49 Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 2k4i h SER 49 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2k4i n LEU 50 N -2.89 0.61 0.01 5.97 4.77 -1.26 -1.12 117.00 123.08 2k4i n LEU 50 Ca -0.02 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 56.80 2k4i n LEU 50 Cb 0.13 -0.69 0.38 0.00 -2.33 0.00 0.00 43.42 40.91 2k4i n LEU 50 CO 0.20 -0.73 0.65 0.18 -1.33 0.00 0.00 177.39 176.35 2k4i n LEU 51 N -2.23 0.35 0.06 2.23 4.77 -0.51 -2.90 117.00 118.77 2k4i n LEU 51 Ca 0.00 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 2k4i n LEU 51 Cb 0.14 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2k4i n LEU 51 CO 0.15 0.05 -0.34 -0.33 -1.33 0.00 0.00 177.39 175.59 2k4i h GLU 52 N 0.00 0.36 -5.65 3.23 5.08 -1.29 -3.46 114.58 112.84 2k4i h GLU 52 Ca 0.00 -0.61 -0.60 0.00 -1.00 0.00 0.00 59.36 57.15 2k4i h GLU 52 Cb 0.53 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 2k4i h GLU 52 CO 0.00 1.29 -0.29 -1.54 -1.00 0.00 0.00 179.01 177.47 2k4i s SER 53 N -7.20 6.55 0.40 1.42 1.04 -1.23 -4.98 113.70 109.69 2k4i s SER 53 Ca -0.16 0.64 0.08 0.00 0.48 0.00 0.00 55.95 57.00 2k4i s SER 53 Cb 0.04 -2.20 0.83 0.00 0.10 0.00 0.00 66.02 64.79 2k4i s SER 53 CO 0.84 0.17 1.99 0.07 0.98 0.00 0.00 173.24 177.28 2k4i h LYS 54 N 6.08 0.38 -0.57 4.02 2.10 -1.88 -2.47 116.57 124.24 2k4i h LYS 54 Ca -0.45 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.13 2k4i h LYS 54 Cb 1.18 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.42 2k4i h LYS 54 CO 0.71 0.36 0.27 1.49 -2.00 0.00 0.00 179.45 180.29 2k4i h GLU 55 N 0.38 0.82 -0.37 0.07 4.81 -1.93 -2.70 114.58 115.66 2k4i h GLU 55 Ca 0.09 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2k4i h GLU 55 Cb 0.16 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2k4i h GLU 55 CO -0.00 0.66 -0.06 0.78 -0.73 0.00 0.00 179.01 179.66 2k4i h GLY 56 N 0.77 0.66 2.00 1.92 0.00 -1.65 -2.45 103.07 104.32 2k4i h GLY 56 Ca 0.20 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2k4i h GLY 56 CO -0.02 0.41 -0.16 0.00 0.00 0.00 0.00 176.54 176.76 2k4i h GLN 58 N 0.00 0.13 0.00 0.00 4.15 -1.21 -1.62 115.11 116.56 2k4i h GLN 58 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2k4i h GLN 58 Cb 0.31 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2k4i h GLN 58 CO 0.02 0.48 0.00 -0.22 -1.93 0.00 0.00 178.83 177.18 2k4i h LYS 59 N 0.11 0.00 0.04 1.69 3.64 -1.38 -2.93 116.57 117.75 2k4i h LYS 59 Ca 0.01 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.11 2k4i h LYS 59 Cb 0.70 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 2k4i h LYS 59 CO 0.05 0.00 -1.53 -0.89 -2.27 0.00 0.00 179.45 174.81 2k4i n ILE 60 N -2.43 1.62 0.26 2.00 5.41 -0.86 -4.00 119.36 121.35 2k4i n ILE 60 Ca 0.04 -0.24 0.11 0.00 1.00 0.00 0.00 62.75 63.66 2k4i n ILE 60 Cb 0.40 -1.94 0.69 0.00 -0.71 0.00 0.00 39.64 38.08 2k4i n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k4i h LEU 61 N -0.64 0.00 -1.18 1.39 3.38 -1.39 -1.23 115.31 115.64 2k4i h LEU 61 Ca -0.38 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 2k4i h LEU 61 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2k4i h LEU 61 CO -0.11 0.11 -0.39 0.00 0.09 0.00 0.00 178.44 178.14 2k4i h THR 62 N 0.00 1.16 0.14 0.22 1.03 -1.67 0.21 112.91 114.01 2k4i h THR 62 Ca -0.00 -1.39 -0.36 0.00 -0.01 0.00 0.00 66.41 64.65 2k4i h THR 62 Cb 0.26 1.77 -0.01 0.00 -1.07 0.00 0.00 68.15 69.11 2k4i h THR 62 CO 0.01 0.38 -1.92 0.58 -0.01 0.00 0.00 175.52 174.56 2k4i h VAL 63 N 0.00 0.72 0.00 0.00 2.07 -1.45 -3.36 116.25 114.23 2k4i h VAL 63 Ca -0.00 -2.40 -0.04 0.00 0.82 0.00 0.00 66.70 65.07 2k4i h VAL 63 Cb 0.74 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2k4i h VAL 63 CO 0.05 0.89 -0.20 -0.07 0.02 0.00 0.00 177.57 178.25 2k4i h LEU 64 N 0.08 0.00 0.14 2.57 3.38 -1.24 -3.26 115.31 116.98 2k4i h LEU 64 Ca -0.40 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2k4i h LEU 64 Cb 2.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.77 2k4i h LEU 64 CO 0.11 0.20 -0.45 0.44 0.09 0.00 0.00 178.44 178.84 2k4i h ASP 65 N 0.00 -1.34 0.53 -0.43 3.32 -0.71 -0.88 116.42 116.91 2k4i h ASP 65 Ca -0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2k4i h ASP 65 Cb 0.96 0.49 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2k4i h ASP 65 CO 0.03 -0.49 0.00 -0.81 -1.72 0.00 0.00 179.24 176.25 2k4i n PRO 66 N -5.02 0.04 0.15 3.56 -0.04 -1.25 -2.15 135.00 130.30 2k4i n PRO 66 Ca -0.08 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 2k4i n PRO 66 Cb 0.36 -1.57 0.15 0.00 -0.04 0.00 0.00 33.50 32.39 2k4i n PRO 66 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4i h MET 67 N 0.00 0.00 0.62 0.54 2.86 -1.24 -3.29 114.93 114.42 2k4i h MET 67 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k4i h MET 67 Cb 0.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.93 2k4i h MET 67 CO 0.00 0.00 -0.30 0.28 1.06 0.00 0.00 176.91 177.95 2k4i h VAL 68 N 0.00 0.14 0.00 -2.22 2.07 -0.79 0.21 116.25 115.66 2k4i h VAL 68 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2k4i h VAL 68 Cb 0.94 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k4i h VAL 68 CO 0.00 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4i n PRO 69 N -5.35 0.40 -2.72 1.57 -0.04 -1.26 -3.26 135.00 124.34 2k4i n PRO 69 Ca -0.11 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 2k4i n PRO 69 Cb 0.35 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2k4i n PRO 69 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4i n THR 70 N -1.09 0.41 -3.88 0.52 -1.04 -1.14 -5.13 114.28 102.93 2k4i n THR 70 Ca 0.10 -2.41 -0.10 0.00 -2.04 0.00 0.00 64.05 59.60 2k4i n THR 70 Cb 0.07 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k4i s GLY 71 N -2.13 0.59 0.81 3.41 0.00 0.74 -4.76 107.32 105.98 2k4i s GLY 71 Ca 0.26 -0.89 -0.06 0.00 0.00 0.00 0.00 44.72 44.02 2k4i s GLY 71 CO -0.03 -0.46 1.11 -1.35 0.00 0.00 0.00 173.10 172.37 2k4i s SER 72 N -3.09 3.89 0.20 1.64 1.04 -1.26 -4.93 113.70 111.19 2k4i s SER 72 Ca 0.19 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 2k4i s SER 72 Cb -0.04 -0.08 0.15 0.00 0.10 0.00 0.00 66.02 66.15 2k4i s SER 72 CO 0.13 -2.18 1.53 -0.33 0.98 0.00 0.00 173.24 173.37 2k4i h GLU 73 N -0.93 0.54 -0.32 4.02 3.07 -1.97 -2.55 114.58 116.44 2k4i h GLU 73 Ca -0.39 -0.32 0.09 0.00 -0.50 0.00 0.00 59.36 58.24 2k4i h GLU 73 Cb 1.25 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 2k4i h GLU 73 CO 0.39 0.92 0.33 -0.91 -1.40 0.00 0.00 179.01 178.34 2k4i h ASN 74 N 0.42 0.00 0.00 1.42 2.35 -2.01 -0.66 115.58 117.11 2k4i h ASN 74 Ca 0.02 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 2k4i h ASN 74 Cb 1.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 2k4i h ASN 74 CO 0.10 0.00 -1.28 -0.11 -1.65 0.00 0.00 177.43 174.48 2k4i n LEU 75 N -3.84 1.86 -0.20 1.61 0.00 -1.10 -4.11 117.00 111.22 2k4i n LEU 75 Ca 0.05 0.44 0.24 0.00 0.00 0.00 0.00 56.01 56.74 2k4i n LEU 75 Cb 0.48 -0.95 0.63 0.00 0.00 0.00 0.00 43.42 43.59 2k4i n LEU 75 CO 0.29 0.22 1.24 0.50 0.00 0.00 0.00 177.39 179.64 2k4i h LYS 76 N -1.00 0.16 -0.20 1.96 3.64 -1.03 -0.11 116.57 120.00 2k4i h LYS 76 Ca -0.34 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2k4i h LYS 76 Cb 1.25 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2k4i h LYS 76 CO -0.21 0.11 0.11 1.03 -2.27 0.00 0.00 179.45 178.23 2k4i h SER 77 N 0.17 0.24 -0.03 4.20 0.87 -1.30 -1.99 113.55 115.71 2k4i h SER 77 Ca 0.44 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.84 2k4i h SER 77 Cb 1.46 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2k4i h SER 77 CO -0.08 0.24 -0.24 0.25 -0.53 0.00 0.00 176.83 176.46 2k4i h LEU 78 N 0.23 0.45 -1.50 2.23 5.85 -1.20 -2.60 115.31 118.76 2k4i h LEU 78 Ca 0.07 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2k4i h LEU 78 Cb 0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2k4i h LEU 78 CO -0.01 0.69 -0.16 0.15 -0.34 0.00 0.00 178.44 178.76 2k4i h PHE 79 N 0.40 0.12 -0.07 1.25 3.57 -0.99 -0.96 116.94 120.26 2k4i h PHE 79 Ca 0.06 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.37 2k4i h PHE 79 Cb 0.64 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2k4i h PHE 79 CO 0.02 0.28 -0.72 -0.91 -2.23 0.00 0.00 178.31 174.75 2k4i h ASN 80 N 0.11 0.41 -0.02 0.41 4.21 -0.98 -3.02 115.58 116.71 2k4i h ASN 80 Ca 0.02 -0.27 -0.04 0.00 1.21 0.00 0.00 56.30 57.22 2k4i h ASN 80 Cb 0.36 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 2k4i h ASN 80 CO 0.02 1.00 -0.15 0.74 -1.29 0.00 0.00 177.43 177.75 2k4i h THR 81 N 0.24 1.53 -0.66 2.81 2.02 -1.26 -3.21 112.91 114.37 2k4i h THR 81 Ca -0.03 -1.77 0.16 0.00 0.77 0.00 0.00 66.41 65.54 2k4i h THR 81 Cb 1.28 2.63 -0.04 0.00 -1.74 0.00 0.00 68.15 70.29 2k4i h THR 81 CO 0.12 0.48 0.46 0.58 0.37 0.00 0.00 175.52 177.52 2k4i h VAL 82 N -0.51 0.76 -0.02 3.16 2.07 -1.27 0.21 116.25 120.65 2k4i h VAL 82 Ca -0.01 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 2k4i h VAL 82 Cb 0.86 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2k4i h VAL 82 CO 0.03 0.04 -0.43 0.00 0.02 0.00 0.00 177.57 177.23 2k4i h VAL 84 N 0.03 1.26 -0.77 0.00 2.07 -0.64 -3.18 116.25 115.03 2k4i h VAL 84 Ca -0.00 -2.72 0.06 0.00 0.82 0.00 0.00 66.70 64.86 2k4i h VAL 84 Cb 0.77 3.01 -0.05 0.00 -1.52 0.00 0.00 31.29 33.50 2k4i h VAL 84 CO 0.06 0.82 0.50 0.40 0.02 0.00 0.00 177.57 179.37 2k4i h ILE 85 N 0.14 1.04 -0.21 4.57 1.08 -1.15 -1.50 117.51 121.48 2k4i h ILE 85 Ca -0.26 -0.29 -0.16 0.00 -0.39 0.00 0.00 64.86 63.77 2k4i h ILE 85 Cb 2.15 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 2k4i h ILE 85 CO 0.26 0.15 -0.53 -0.25 -0.69 0.00 0.00 178.15 177.10 2k4i h TRP 86 N 0.83 0.75 0.00 1.37 7.01 -1.60 -2.77 115.95 121.55 2k4i h TRP 86 Ca 0.33 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 61.07 2k4i h TRP 86 Cb 0.22 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2k4i h TRP 86 CO -0.00 1.00 0.00 0.00 -2.79 0.00 0.00 178.44 176.65 2k4i h ILE 88 N 0.00 1.15 0.00 0.00 2.04 -1.13 0.86 117.51 120.43 2k4i h ILE 88 Ca 0.00 -2.70 -0.11 0.00 1.00 0.00 0.00 64.86 63.05 2k4i h ILE 88 Cb 0.36 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 2k4i h ILE 88 CO 0.00 0.84 -0.77 0.45 0.00 0.00 0.00 178.15 178.67 2k4i h HIS 89 N 0.11 0.00 -0.30 1.37 3.86 -1.35 -3.25 115.15 115.58 2k4i h HIS 89 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2k4i h HIS 89 Cb 2.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.56 2k4i h HIS 89 CO 0.09 0.47 0.00 0.00 0.86 0.00 0.00 177.93 179.36 2k4i n ALA 90 N -2.27 2.47 -1.37 2.45 0.00 -0.28 -4.87 120.51 116.66 2k4i n ALA 90 Ca -0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 2k4i n ALA 90 Cb 0.75 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 2k4i n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 91 N 0.39 -1.25 -2.74 0.00 4.07 -1.23 -4.96 120.64 114.93 2k4i n GLU 91 Ca 0.10 0.92 -0.40 0.00 -0.06 0.00 0.00 57.16 57.72 2k4i n GLU 91 Cb 0.27 -5.11 -0.05 0.00 -0.06 0.00 0.00 31.44 26.49 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2k4i s GLU 92 N -2.96 4.80 -0.16 5.31 0.41 0.30 -5.02 118.70 121.36 2k4i s GLU 92 Ca 0.00 1.48 -0.05 0.00 -0.41 0.00 0.00 54.97 55.99 2k4i s GLU 92 Cb 0.00 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 29.00 2k4i s GLU 92 CO 0.00 0.41 0.00 -1.59 -0.49 0.00 0.00 175.26 173.59 2k4i s LYS 93 N -0.75 3.78 0.02 1.61 0.00 -1.26 -4.40 119.74 118.74 2k4i s LYS 93 Ca 0.43 -0.44 0.02 0.00 0.00 0.00 0.00 55.97 55.98 2k4i s LYS 93 Cb -0.25 -3.03 -0.01 0.00 0.00 0.00 0.00 37.83 34.53 2k4i s LYS 93 CO 0.31 0.27 -0.06 0.14 0.00 0.00 0.00 175.35 176.01 2k4i s VAL 94 N 0.32 0.43 -0.14 1.79 -7.23 -1.26 -4.98 120.40 109.33 2k4i s VAL 94 Ca -0.01 -0.64 -0.28 0.00 -1.81 0.00 0.00 61.98 59.24 2k4i s VAL 94 Cb -0.13 -0.44 -0.25 0.00 0.56 0.00 0.00 36.38 36.12 2k4i s VAL 94 CO 0.02 -0.15 0.71 0.11 -0.31 0.00 0.00 175.10 175.48 2k4i h LYS 95 N 5.25 0.00 0.00 4.82 1.57 -1.97 -3.43 116.57 122.82 2k4i h LYS 95 Ca -0.31 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.13 2k4i h LYS 95 Cb 1.20 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 2k4i h LYS 95 CO 0.45 0.97 -0.27 -0.40 -0.57 0.00 0.00 179.45 179.63 2k4i n ASP 96 N -4.61 1.37 -0.19 0.86 5.68 -1.26 -2.64 116.55 115.76 2k4i n ASP 96 Ca -0.11 -2.27 -0.09 0.00 -0.50 0.00 0.00 54.79 51.82 2k4i n ASP 96 Cb 0.48 0.54 0.03 0.00 -1.14 0.00 0.00 41.12 41.03 2k4i n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k4i h THR 97 N 1.36 1.27 -0.26 2.12 2.02 -1.33 -3.05 112.91 115.02 2k4i h THR 97 Ca -0.19 -1.20 0.04 0.00 0.77 0.00 0.00 66.41 65.82 2k4i h THR 97 Cb 0.72 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 2k4i h THR 97 CO 0.31 0.43 0.04 -0.33 0.37 0.00 0.00 175.52 176.35 2k4i h GLU 98 N 0.94 0.14 -0.94 6.66 5.08 -1.86 -1.91 114.58 122.68 2k4i h GLU 98 Ca 0.16 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 2k4i h GLU 98 Cb 0.61 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 2k4i h GLU 98 CO 0.04 0.09 0.60 0.78 -1.00 0.00 0.00 179.01 179.52 2k4i h GLY 99 N 0.14 1.41 1.37 -3.84 0.00 -1.95 -1.35 103.07 98.85 2k4i h GLY 99 Ca 0.12 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2k4i h GLY 99 CO -0.17 0.24 -0.10 0.00 0.00 0.00 0.00 176.54 176.51 2k4i h ALA 100 N 1.52 1.03 -0.10 3.60 0.00 -1.29 -2.16 119.26 121.86 2k4i h ALA 100 Ca 0.43 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2k4i h ALA 100 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k4i h ALA 100 CO -0.19 0.59 -0.18 0.87 0.00 0.00 0.00 179.25 180.34 2k4i h LYS 101 N 0.68 0.16 0.14 0.00 1.57 -0.52 -1.88 116.57 116.73 2k4i h LYS 101 Ca 0.12 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2k4i h LYS 101 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2k4i h LYS 101 CO 0.04 0.34 -0.07 0.37 -0.57 0.00 0.00 179.45 179.56 2k4i h GLN 102 N 0.15 -0.19 -0.39 3.15 4.15 -1.08 -2.55 115.11 118.36 2k4i h GLN 102 Ca 0.03 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.54 2k4i h GLN 102 Cb 0.41 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.06 2k4i h GLN 102 CO 0.03 0.19 -0.13 0.82 -1.93 0.00 0.00 178.83 177.81 2k4i h ILE 103 N -0.95 0.55 -0.02 2.39 2.04 -1.37 -0.09 117.51 120.05 2k4i h ILE 103 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2k4i h ILE 103 Cb 0.46 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2k4i h ILE 103 CO 0.03 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.70 2k4i h VAL 104 N -0.04 0.83 -0.01 1.67 2.07 -1.46 -2.30 116.25 117.01 2k4i h VAL 104 Ca 0.19 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.74 2k4i h VAL 104 Cb 0.33 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2k4i h VAL 104 CO -0.42 0.00 -0.27 -0.09 0.02 0.00 0.00 177.57 176.80 2k4i h ARG 105 N -0.10 -0.40 -0.80 1.57 2.43 -0.95 -0.01 114.38 116.13 2k4i h ARG 105 Ca 0.03 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.46 2k4i h ARG 105 Cb 0.14 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 2k4i h ARG 105 CO -0.08 -0.26 0.57 0.00 -1.51 0.00 0.00 179.97 178.68 2k4i h ARG 106 N -0.41 0.05 0.00 0.20 2.47 -0.87 0.30 114.38 116.12 2k4i h ARG 106 Ca 0.07 -0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.60 2k4i h ARG 106 Cb 0.50 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2k4i h ARG 106 CO -0.25 0.03 -0.88 0.45 0.56 0.00 0.00 179.97 179.88 2k4i h HIS 107 N 0.05 0.00 0.00 3.04 3.86 -0.48 -3.13 115.15 118.49 2k4i h HIS 107 Ca 0.38 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.57 2k4i h HIS 107 Cb 1.46 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.92 2k4i h HIS 107 CO -0.00 0.87 -0.16 -0.07 0.86 0.00 0.00 177.93 179.44 2k4i h LEU 108 N 0.00 0.00 -2.04 2.43 3.38 0.93 -3.32 115.31 116.70 2k4i h LEU 108 Ca -0.01 -0.83 0.12 0.00 0.09 0.00 0.00 57.88 57.25 2k4i h LEU 108 Cb 1.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 2k4i h LEU 108 CO 0.11 1.01 0.34 0.58 0.09 0.00 0.00 178.44 180.58 2k4i h VAL 109 N -1.00 0.64 -0.10 1.22 2.07 -1.13 0.16 116.25 118.11 2k4i h VAL 109 Ca -0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2k4i h VAL 109 Cb 0.94 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2k4i h VAL 109 CO -0.03 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.31 2k4i h ALA 110 N 1.71 1.39 0.06 1.67 0.00 -1.64 -1.04 119.26 121.42 2k4i h ALA 110 Ca 0.20 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.52 2k4i h ALA 110 Cb 0.89 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k4i h ALA 110 CO -0.00 0.43 -1.68 1.49 0.00 0.00 0.00 179.25 179.49 2k4i h GLU 111 N 0.16 0.14 -0.89 0.00 4.81 -0.86 -3.34 114.58 114.60 2k4i h GLU 111 Ca 0.03 -0.23 -0.29 0.00 -0.13 0.00 0.00 59.36 58.73 2k4i h GLU 111 Cb 0.54 0.09 -0.17 0.00 0.63 0.00 0.00 28.75 29.84 2k4i h GLU 111 CO 0.04 0.88 0.37 2.41 -0.73 0.00 0.00 179.01 181.97 2k4i n THR 112 N -3.29 2.63 -2.30 0.32 -1.04 -0.43 -4.09 114.28 106.08 2k4i n THR 112 Ca -0.19 -1.43 0.02 0.00 -2.04 0.00 0.00 64.05 60.41 2k4i n THR 112 Cb 1.04 -0.49 0.01 0.00 -1.82 0.00 0.00 70.33 69.07 2k4i n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4i n GLY 113 N -0.41 0.81 0.95 3.41 0.00 -0.41 -4.68 105.19 104.85 2k4i n GLY 113 Ca 0.41 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.95 2k4i n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4i n THR 114 N 0.30 0.76 0.07 2.61 5.66 -1.26 -4.81 114.28 117.62 2k4i n THR 114 Ca 0.04 -1.53 0.00 0.00 -3.05 0.00 0.00 64.05 59.50 2k4i n THR 114 Cb 0.97 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i n ALA 115 N -0.20 3.00 -2.61 1.79 0.00 -1.26 -5.02 120.51 116.20 2k4i n ALA 115 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2k4i n ALA 115 Cb 0.90 0.15 0.05 0.00 0.00 0.00 0.00 19.45 20.55 2k4i n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 116 N -3.38 0.58 -2.46 0.00 2.13 -1.26 -5.00 120.64 111.25 2k4i n GLU 116 Ca 0.00 -0.74 -0.12 0.00 0.66 0.00 0.00 57.16 56.96 2k4i n GLU 116 Cb 0.00 0.11 0.03 0.00 0.27 0.00 0.00 31.44 31.86 2k4i n GLU 116 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k4i n LYS 117 N -0.63 2.60 -1.63 5.31 5.02 -1.26 -5.10 118.16 122.47 2k4i n LYS 117 Ca -0.12 -3.83 -0.35 0.00 -2.02 0.00 0.00 58.31 51.99 2k4i n LYS 117 Cb 0.69 -1.91 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k4i s MET 118 N -3.67 2.43 0.81 1.97 -1.94 -1.26 -4.86 119.30 112.78 2k4i s MET 118 Ca 0.38 1.76 -0.11 0.00 -1.71 0.00 0.00 55.69 56.02 2k4i s MET 118 Cb 0.37 -1.87 0.08 0.00 2.01 0.00 0.00 34.83 35.42 2k4i s MET 118 CO -0.01 -1.61 1.09 -1.25 -0.01 0.00 0.00 175.02 173.23 2k4i s PRO 119 N -3.75 1.97 0.54 2.03 0.04 -1.26 -5.07 135.00 129.49 2k4i s PRO 119 Ca 0.75 1.07 0.08 0.00 0.04 0.00 0.00 61.00 62.94 2k4i s PRO 119 Cb -0.29 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k4i s PRO 119 CO 0.42 -1.82 0.59 -1.12 0.04 0.00 0.00 177.00 175.11 2k4i s SER 120 N -3.40 4.95 0.42 6.66 0.01 -1.26 -5.07 113.70 116.01 2k4i s SER 120 Ca 0.62 -0.96 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 2k4i s SER 120 Cb -0.17 0.20 -0.10 0.00 0.21 0.00 0.00 66.02 66.16 2k4i s SER 120 CO 0.56 -1.15 1.43 0.41 0.41 0.00 0.00 173.24 174.90 2k4i n THR 121 N -1.97 2.46 -3.35 1.44 -1.04 -1.26 -5.02 114.28 105.54 2k4i n THR 121 Ca 0.08 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.38 2k4i n THR 121 Cb 0.62 -1.84 -0.00 0.00 -1.82 0.00 0.00 70.33 67.29 2k4i n THR 121 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2k4i s SER 122 N -0.35 5.18 0.03 8.00 0.01 -1.26 -5.14 113.70 120.18 2k4i s SER 122 Ca 0.58 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 57.18 2k4i s SER 122 Cb -0.47 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 2k4i s SER 122 CO 0.60 -0.86 -0.20 0.00 0.41 0.00 0.00 173.24 173.19 2k4i s ARG 123 N -4.31 1.39 0.73 12.44 1.70 -1.26 -5.14 118.95 124.51 2k4i s ARG 123 Ca 0.51 -0.89 -0.12 0.00 -0.47 0.00 0.00 55.73 54.76 2k4i s ARG 123 Cb -0.05 -1.47 0.04 0.00 -0.57 0.00 0.00 34.95 32.90 2k4i s ARG 123 CO 0.30 0.38 1.10 -1.25 -1.08 0.00 0.00 175.30 174.75 2k4i s PRO 124 N -1.05 2.44 0.91 3.89 0.04 -1.26 -5.01 135.00 134.96 2k4i s PRO 124 Ca 0.07 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.25 2k4i s PRO 124 Cb -0.09 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.68 2k4i s PRO 124 CO 0.01 -1.51 1.12 0.99 0.04 0.00 0.00 177.00 177.65 2k4i s THR 125 N -2.70 2.31 0.51 1.26 2.01 -1.26 -5.00 115.64 112.76 2k4i s THR 125 Ca 0.63 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.59 2k4i s THR 125 Cb -0.18 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.03 2k4i s THR 125 CO 0.51 -0.13 0.95 0.00 -0.69 0.00 0.00 174.62 175.25 2k4i s ALA 126 N -2.69 3.13 0.32 7.40 0.00 -1.26 -4.98 121.76 123.67 2k4i s ALA 126 Ca 0.66 0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.79 2k4i s ALA 126 Cb -0.22 -3.03 0.53 0.00 0.00 0.00 0.00 23.12 20.40 2k4i s ALA 126 CO 0.58 -0.25 1.72 -1.00 0.00 0.00 0.00 175.76 176.81 2k4i h PRO 127 N 0.82 0.04 0.00 0.00 0.13 -2.04 -3.45 132.00 127.50 2k4i h PRO 127 Ca -0.47 -0.02 -0.22 0.00 -0.87 0.00 0.00 66.00 64.42 2k4i h PRO 127 Cb 1.19 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.45 2k4i h PRO 127 CO 0.62 0.51 -0.11 -1.13 -0.23 0.00 0.00 178.00 177.66 2k4i n SER 128 N -3.97 -3.29 -4.56 1.44 3.41 -1.26 -4.88 113.62 100.52 2k4i n SER 128 Ca -0.02 -0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 57.63 2k4i n SER 128 Cb 0.50 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2k4i n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k4i s SER 129 N -2.57 6.44 -0.40 4.04 0.01 -1.26 -4.90 113.70 115.06 2k4i s SER 129 Ca 0.41 -0.03 0.11 0.00 1.31 0.00 0.00 55.95 57.76 2k4i s SER 129 Cb -0.07 -2.48 0.39 0.00 0.21 0.00 0.00 66.02 64.06 2k4i s SER 129 CO 0.34 -1.26 0.87 1.21 0.41 0.00 0.00 173.24 174.82 2k4i n GLU 130 N 7.70 1.72 -3.80 12.44 4.07 -1.26 -4.99 120.64 136.52 2k4i n GLU 130 Ca 0.06 -3.75 -0.28 0.00 -0.06 0.00 0.00 57.16 53.12 2k4i n GLU 130 Cb 0.48 -1.75 -0.12 0.00 -0.06 0.00 0.00 31.44 29.99 2k4i n GLU 130 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2k4i s LYS 131 N -2.94 1.95 -0.26 5.31 2.47 -1.26 -5.03 119.74 119.98 2k4i s LYS 131 Ca 0.39 -2.82 -0.01 0.00 -1.56 0.00 0.00 55.97 51.98 2k4i s LYS 131 Cb 0.37 -2.93 0.14 0.00 -1.46 0.00 0.00 37.83 33.95 2k4i s LYS 131 CO -0.07 -1.25 0.36 0.20 0.16 0.00 0.00 175.35 174.75 2k4i s GLY 132 N -0.73 -0.38 0.00 5.54 0.00 -1.26 -5.13 107.32 105.36 2k4i s GLY 132 Ca 0.23 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.39 2k4i s GLY 132 CO -0.11 2.74 0.00 0.61 0.00 0.00 0.00 173.10 176.34 2k4i n GLY 133 N 5.35 2.00 3.93 0.20 0.00 -1.26 -5.17 105.19 110.25 2k4i n GLY 133 Ca -0.02 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2k4i n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4i s ASN 134 N 0.00 6.35 0.00 1.61 2.20 -1.26 -5.32 114.94 118.51 2k4i s ASN 134 Ca 0.00 0.45 0.04 0.00 -0.94 0.00 0.00 52.86 52.42 2k4i s ASN 134 Cb 0.00 -2.03 0.27 0.00 -2.00 0.00 0.00 41.25 37.49 2k4i s ASN 134 CO 0.00 -0.19 0.74 -1.22 -2.94 0.00 0.00 177.10 173.49