#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 4.92 -2.65 4.61 0.00 -1.26 -5.02 120.51 121.10 2k4i n ALA 3 Ca 0.00 -4.56 -0.38 0.00 0.00 0.00 0.00 53.44 48.51 2k4i n ALA 3 Cb 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 2k4i n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k4i s ARG 4 N -3.54 3.92 0.13 0.00 1.81 -1.26 -4.99 118.95 115.01 2k4i s ARG 4 Ca 0.48 -0.34 -0.26 0.00 -1.72 0.00 0.00 55.73 53.90 2k4i s ARG 4 Cb 0.32 -3.61 -0.04 0.00 -0.45 0.00 0.00 34.95 31.18 2k4i s ARG 4 CO -0.16 -0.16 1.62 -0.97 -0.68 0.00 0.00 175.30 174.95 2k4i h ASN 5 N 8.29 -0.85 -3.14 0.23 -1.24 -2.02 -3.40 115.58 113.45 2k4i h ASN 5 Ca -0.36 0.12 -0.45 0.00 0.71 0.00 0.00 56.30 56.33 2k4i h ASN 5 Cb 1.19 0.35 -0.40 0.00 0.73 0.00 0.00 38.32 40.19 2k4i h ASN 5 CO 0.56 -0.34 -0.75 -0.44 -1.29 0.00 0.00 177.43 175.17 2k4i s SER 6 N -4.90 2.12 0.09 1.15 0.01 -1.26 -5.02 113.70 105.89 2k4i s SER 6 Ca -0.15 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 56.48 2k4i s SER 6 Cb 0.10 -0.27 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 2k4i s SER 6 CO 0.66 -0.32 1.45 0.58 0.41 0.00 0.00 173.24 176.02 2k4i h VAL 7 N 6.43 1.30 -5.27 3.43 2.07 -1.99 -3.45 116.25 118.77 2k4i h VAL 7 Ca -0.15 -1.30 -0.32 0.00 0.82 0.00 0.00 66.70 65.75 2k4i h VAL 7 Cb 1.14 1.52 0.04 0.00 -1.52 0.00 0.00 31.29 32.47 2k4i h VAL 7 CO 0.26 0.41 0.02 0.18 0.02 0.00 0.00 177.57 178.47 2k4i n LEU 8 N -4.38 0.00 0.00 2.57 4.77 -1.26 -5.09 117.00 113.61 2k4i n LEU 8 Ca -0.03 -1.56 -0.25 0.00 -0.03 0.00 0.00 56.01 54.13 2k4i n LEU 8 Cb 0.40 -0.37 0.24 0.00 -2.33 0.00 0.00 43.42 41.36 2k4i n LEU 8 CO 0.42 -0.74 0.28 0.54 -1.33 0.00 0.00 177.39 176.56 2k4i n ARG 9 N -2.07 -3.63 -0.01 3.23 1.74 -1.26 -4.51 116.66 110.15 2k4i n ARG 9 Ca 0.11 -1.18 -0.13 0.00 -0.77 0.00 0.00 57.85 55.88 2k4i n ARG 9 Cb 0.41 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 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 -3.33 -0.01 1.01 -0.13 0.00 -1.98 -0.63 103.07 98.00 2k4i h GLY 10 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2k4i h GLY 10 CO 0.19 -0.00 0.55 1.70 0.00 0.00 0.00 176.54 178.98 2k4i h LYS 11 N -0.51 1.16 0.32 4.80 1.63 -1.99 -0.02 116.57 121.95 2k4i h LYS 11 Ca -0.00 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 2k4i h LYS 11 Cb 0.50 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2k4i h LYS 11 CO 0.00 0.79 -0.15 0.87 -3.45 0.00 0.00 179.45 177.51 2k4i h LYS 12 N 1.18 -0.41 -0.29 1.90 1.57 -1.90 -3.00 116.57 115.61 2k4i h LYS 12 Ca 0.31 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.21 2k4i h LYS 12 Cb -0.09 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2k4i h LYS 12 CO -0.06 -0.09 0.22 0.00 -0.57 0.00 0.00 179.45 178.95 2k4i h ALA 13 N -0.30 2.20 0.63 3.86 0.00 -1.01 -2.43 119.26 122.21 2k4i h ALA 13 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k4i h ALA 13 Cb 0.52 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k4i h ALA 13 CO 0.07 -0.37 -0.30 0.22 0.00 0.00 0.00 179.25 178.87 2k4i h ASP 14 N 0.00 -0.71 -0.93 0.00 3.58 -0.88 -2.15 116.42 115.34 2k4i h ASP 14 Ca 0.14 -0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.70 2k4i h ASP 14 Cb 0.58 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.74 2k4i h ASP 14 CO -0.00 -0.46 0.60 -0.33 -2.88 0.00 0.00 179.24 176.17 2k4i h GLU 15 N -0.92 0.88 -0.39 0.28 5.08 -1.31 -1.23 114.58 116.97 2k4i h GLU 15 Ca -0.09 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2k4i h GLU 15 Cb 0.67 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2k4i h GLU 15 CO 0.14 0.58 0.23 1.25 -1.00 0.00 0.00 179.01 180.21 2k4i h LEU 16 N 0.91 0.37 0.00 1.33 7.12 -1.28 0.39 115.31 124.13 2k4i h LEU 16 Ca 0.44 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.46 2k4i h LEU 16 Cb 0.47 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 2k4i h LEU 16 CO -0.21 0.27 0.00 1.21 -0.13 0.00 0.00 178.44 179.58 2k4i n GLU 17 N -4.87 0.37 -0.11 1.25 2.13 -0.66 -3.14 120.64 115.62 2k4i n GLU 17 Ca 0.01 0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.73 2k4i n GLU 17 Cb 0.06 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.13 2k4i n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2k4i n ARG 18 N -1.27 0.67 -1.64 5.31 0.00 -0.26 -4.61 116.66 114.85 2k4i n ARG 18 Ca 0.12 0.10 -0.48 0.00 -0.00 0.00 0.00 57.85 57.59 2k4i n ARG 18 Cb 0.19 -1.54 -0.05 0.00 0.00 0.00 0.00 32.46 31.07 2k4i n ARG 18 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2k4i n ILE 19 N -3.06 0.07 -3.56 5.15 5.41 0.12 -4.86 119.36 118.63 2k4i n ILE 19 Ca -0.39 -0.02 -0.38 0.00 1.00 0.00 0.00 62.75 62.96 2k4i n ILE 19 Cb 1.06 -1.30 -0.06 0.00 -0.71 0.00 0.00 39.64 38.64 2k4i n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4i s ARG 20 N 0.67 3.86 0.63 0.38 0.52 -1.05 -2.27 118.95 121.69 2k4i s ARG 20 Ca 0.80 0.31 0.35 0.00 -0.52 0.00 0.00 55.73 56.67 2k4i s ARG 20 Cb -0.77 -3.23 1.99 0.00 0.52 0.00 0.00 34.95 33.46 2k4i s ARG 20 CO 0.42 0.68 2.23 -0.07 0.02 0.00 0.00 175.30 178.57 2k4i h LEU 21 N 4.88 0.00 -8.35 2.53 3.38 -0.74 0.30 115.31 117.31 2k4i h LEU 21 Ca -0.52 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.17 2k4i h LEU 21 Cb 1.22 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.78 2k4i h LEU 21 CO 0.62 0.00 -0.73 -0.13 0.09 0.00 0.00 178.44 178.29 2k4i s ARG 22 N -4.41 0.73 0.22 1.13 0.52 -1.25 -4.46 118.95 111.43 2k4i s ARG 22 Ca -0.05 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.11 2k4i s ARG 22 Cb 0.14 -0.40 0.22 0.00 0.52 0.00 0.00 34.95 35.43 2k4i s ARG 22 CO 0.47 0.06 1.59 -1.00 0.02 0.00 0.00 175.30 176.43 2k4i h PRO 23 N 3.81 0.52 -0.01 3.54 0.13 -1.95 -3.26 132.00 134.79 2k4i h PRO 23 Ca -0.37 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2k4i h PRO 23 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k4i h PRO 23 CO 0.50 0.86 -0.12 0.41 -0.23 0.00 0.00 178.00 179.42 2k4i n GLY 24 N 0.02 -0.25 3.94 1.56 0.00 -1.26 -5.02 105.19 104.17 2k4i n GLY 24 Ca -0.02 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2k4i n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4i s GLY 25 N -1.16 1.72 -0.00 -0.02 0.00 -1.23 -5.01 107.32 101.61 2k4i s GLY 25 Ca 0.10 -1.07 0.16 0.00 0.00 0.00 0.00 44.72 43.90 2k4i s GLY 25 CO 0.20 -0.62 0.62 0.28 0.00 0.00 0.00 173.10 173.57 2k4i n LYS 26 N -2.95 1.55 -2.39 2.90 5.02 -1.26 -4.75 118.16 116.28 2k4i n LYS 26 Ca 0.09 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 2k4i n LYS 26 Cb 0.60 -1.27 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 2k4i n LYS 26 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k4i s LYS 27 N -2.61 4.57 0.27 1.97 2.20 -1.26 -4.95 119.74 119.93 2k4i s LYS 27 Ca 0.04 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 2k4i s LYS 27 Cb 0.12 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 2k4i s LYS 27 CO 0.66 0.10 0.27 -1.59 -0.36 0.00 0.00 175.35 174.43 2k4i s LYS 28 N -1.44 1.54 0.40 4.03 -2.85 -1.26 -0.01 119.74 120.14 2k4i s LYS 28 Ca 0.46 -1.73 -0.27 0.00 -1.00 0.00 0.00 55.97 53.43 2k4i s LYS 28 Cb -0.34 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 35.68 2k4i s LYS 28 CO 0.43 -0.57 1.36 0.71 0.10 0.00 0.00 175.35 177.39 2k4i s TYR 29 N -3.73 2.72 -0.07 1.78 2.02 -0.96 -4.77 117.35 114.34 2k4i s TYR 29 Ca 0.36 1.33 0.11 0.00 -0.37 0.00 0.00 57.07 58.51 2k4i s TYR 29 Cb 0.03 -3.79 0.19 0.00 -0.40 0.00 0.00 41.96 37.99 2k4i s TYR 29 CO 0.18 -2.42 1.09 -2.13 -1.57 0.00 0.00 175.55 170.71 2k4i n ARG 30 N 0.20 0.62 0.00 -0.62 3.00 -1.26 -4.64 116.66 113.96 2k4i n ARG 30 Ca 0.03 -1.90 0.00 0.00 -0.00 0.00 0.00 57.85 55.98 2k4i n ARG 30 Cb 0.42 -0.93 0.00 0.00 0.00 0.00 0.00 32.46 31.95 2k4i n ARG 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2k4i n LEU 31 N -0.59 0.00 0.22 6.15 7.94 -1.26 -4.70 117.00 124.75 2k4i n LEU 31 Ca 0.08 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.05 2k4i n LEU 31 Cb 0.72 0.00 0.49 0.00 0.53 0.00 0.00 43.42 45.16 2k4i n LEU 31 CO -0.00 0.00 0.82 0.50 -1.11 0.00 0.00 177.39 177.60 2k4i h LYS 32 N 0.00 0.00 -0.16 1.96 1.63 -1.99 -2.75 116.57 115.26 2k4i h LYS 32 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2k4i h LYS 32 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2k4i h LYS 32 CO 0.00 0.26 -0.57 0.45 -3.45 0.00 0.00 179.45 176.15 2k4i h HIS 33 N 0.00 0.64 -0.55 1.91 3.86 -1.97 -2.71 115.15 116.33 2k4i h HIS 33 Ca -0.00 -0.23 -0.11 0.00 -1.16 0.00 0.00 60.37 58.86 2k4i h HIS 33 Cb 0.54 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2k4i h HIS 33 CO 0.00 0.95 -0.11 0.82 0.86 0.00 0.00 177.93 180.45 2k4i h ILE 34 N 0.38 1.27 -0.69 2.45 5.03 -1.89 -2.22 117.51 121.85 2k4i h ILE 34 Ca 0.00 -1.27 -0.07 0.00 -0.12 0.00 0.00 64.86 63.40 2k4i h ILE 34 Cb 1.11 0.96 -0.03 0.00 -3.03 0.00 0.00 36.82 35.82 2k4i h ILE 34 CO 0.10 0.45 0.14 0.58 -0.68 0.00 0.00 178.15 178.75 2k4i h VAL 35 N 0.92 1.26 0.00 1.67 2.07 -1.52 -2.23 116.25 118.42 2k4i h VAL 35 Ca 0.14 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2k4i h VAL 35 Cb 0.68 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2k4i h VAL 35 CO 0.05 0.38 -0.12 -0.25 0.02 0.00 0.00 177.57 177.65 2k4i h TRP 36 N 1.05 0.00 -0.02 1.57 7.01 -1.35 -2.19 115.95 122.01 2k4i h TRP 36 Ca 0.21 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.14 2k4i h TRP 36 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2k4i h TRP 36 CO 0.03 0.12 -0.27 0.00 -2.79 0.00 0.00 178.44 175.53 2k4i h ALA 37 N 1.88 0.06 -0.40 2.65 0.00 -0.82 -3.06 119.26 119.56 2k4i h ALA 37 Ca -0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2k4i h ALA 37 Cb 0.65 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k4i h ALA 37 CO 0.02 0.11 -0.16 0.00 0.00 0.00 0.00 179.25 179.21 2k4i h ALA 38 N 0.31 0.56 -0.31 0.00 0.00 -1.40 -2.85 119.26 115.58 2k4i h ALA 38 Ca -0.03 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2k4i h ALA 38 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k4i h ALA 38 CO 0.05 0.49 0.22 -0.91 0.00 0.00 0.00 179.25 179.10 2k4i h ASN 39 N 0.63 0.08 0.62 0.00 2.35 -1.50 -0.22 115.58 117.55 2k4i h ASN 39 Ca 0.09 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.67 2k4i h ASN 39 Cb 0.71 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 2k4i h ASN 39 CO 0.05 0.05 -0.79 0.11 -1.65 0.00 0.00 177.43 175.21 2k4i h LYS 40 N 0.09 0.12 0.51 0.81 1.79 -1.40 -3.18 116.57 115.32 2k4i h LYS 40 Ca 0.14 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2k4i h LYS 40 Cb 0.46 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2k4i h LYS 40 CO -0.01 0.84 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.88 2k4i h LEU 41 N 0.07 -0.58 -0.53 2.94 3.38 -0.86 0.27 115.31 120.01 2k4i h LEU 41 Ca -0.02 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2k4i h LEU 41 Cb 1.38 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 42.19 2k4i h LEU 41 CO 0.11 -0.36 0.02 0.44 0.09 0.00 0.00 178.44 178.75 2k4i h ASP 42 N -0.78 -0.18 0.43 -0.43 3.32 -1.21 0.39 116.42 117.96 2k4i h ASP 42 Ca -0.07 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2k4i h ASP 42 Cb 0.57 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2k4i h ASP 42 CO 0.12 -0.06 -0.21 -0.09 -1.72 0.00 0.00 179.24 177.27 2k4i h ARG 43 N 0.14 -0.56 -0.63 3.56 2.43 -1.51 -3.17 114.38 114.65 2k4i h ARG 43 Ca 0.27 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.61 2k4i h ARG 43 Cb 0.41 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 2k4i h ARG 43 CO -0.43 -0.27 0.07 0.74 -1.51 0.00 0.00 179.97 178.57 2k4i h PHE 44 N -0.82 0.08 0.00 2.20 0.04 -0.08 -3.45 116.94 114.91 2k4i h PHE 44 Ca -0.06 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2k4i h PHE 44 Cb 0.55 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2k4i h PHE 44 CO 0.00 -0.11 0.00 0.41 -0.60 0.00 0.00 178.31 178.01 2k4i n GLY 45 N -1.35 0.10 3.94 -1.45 0.00 0.69 -5.08 105.19 102.04 2k4i n GLY 45 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 3.59 0.68 0.99 1.43 0.10 -4.93 118.68 120.55 2k4i s LEU 46 Ca 0.00 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2k4i s LEU 46 Cb 0.00 -3.27 0.06 0.00 0.03 0.00 0.00 46.19 43.00 2k4i s LEU 46 CO 0.00 -0.74 0.98 0.00 0.23 0.00 0.00 176.35 176.82 2k4i s ALA 47 N -2.63 3.28 -0.18 4.21 0.00 -1.26 -2.18 121.76 123.00 2k4i s ALA 47 Ca 0.49 -0.99 0.12 0.00 0.00 0.00 0.00 51.96 51.58 2k4i s ALA 47 Cb -0.10 -2.52 -0.23 0.00 0.00 0.00 0.00 23.12 20.27 2k4i s ALA 47 CO 0.39 -1.21 0.13 -0.85 0.00 0.00 0.00 175.76 174.22 2k4i n GLU 48 N -2.83 0.68 0.32 0.00 0.28 -1.26 -4.20 120.64 113.62 2k4i n GLU 48 Ca 0.08 0.10 0.20 0.00 -0.16 0.00 0.00 57.16 57.38 2k4i n GLU 48 Cb 0.60 -1.58 1.10 0.00 1.43 0.00 0.00 31.44 32.99 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 0.20 -1.84 4.64 -1.99 -0.41 113.55 114.15 2k4i h SER 49 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2k4i h SER 49 Cb 2.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 2k4i h SER 49 CO 0.02 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.91 2k4i h LEU 50 N 0.00 0.00 -0.19 5.97 3.38 -1.92 0.61 115.31 123.17 2k4i h LEU 50 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k4i h LEU 50 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2k4i h LEU 50 CO -0.00 0.00 -0.08 0.18 0.09 0.00 0.00 178.44 178.63 2k4i n LEU 51 N -2.61 0.37 -1.53 1.67 4.77 -0.16 -1.16 117.00 118.35 2k4i n LEU 51 Ca -0.01 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2k4i n LEU 51 Cb 0.10 -0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.17 2k4i n LEU 51 CO 0.16 0.07 0.78 -0.62 -1.33 0.00 0.00 177.39 176.45 2k4i n GLU 52 N -0.99 2.19 -3.64 3.23 1.02 0.21 -4.94 120.64 117.71 2k4i n GLU 52 Ca 0.15 -3.31 -0.01 0.00 -0.02 0.00 0.00 57.16 53.97 2k4i n GLU 52 Cb 0.26 -1.97 -0.06 0.00 -0.02 0.00 0.00 31.44 29.65 2k4i n GLU 52 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k4i s SER 53 N -2.46 -0.41 0.14 1.62 0.15 -1.23 -5.04 113.70 106.48 2k4i s SER 53 Ca 0.49 0.65 -0.18 0.00 0.70 0.00 0.00 55.95 57.61 2k4i s SER 53 Cb 0.43 1.17 0.02 0.00 -1.71 0.00 0.00 66.02 65.93 2k4i s SER 53 CO 0.01 -0.10 1.72 0.50 1.20 0.00 0.00 173.24 176.57 2k4i h LYS 54 N 5.87 0.12 -0.97 5.44 3.64 -1.87 0.11 116.57 128.90 2k4i h LYS 54 Ca -0.28 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.21 2k4i h LYS 54 Cb 1.18 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 2k4i h LYS 54 CO 0.21 0.08 0.62 0.93 -2.27 0.00 0.00 179.45 179.01 2k4i h GLU 55 N 0.12 0.92 -0.02 1.90 4.39 -1.97 -0.92 114.58 119.01 2k4i h GLU 55 Ca 0.13 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2k4i h GLU 55 Cb 0.16 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2k4i h GLU 55 CO -0.20 0.61 -0.06 0.78 -1.16 0.00 0.00 179.01 178.98 2k4i h GLY 56 N 0.95 0.07 0.54 -3.84 0.00 -1.53 -3.12 103.07 96.14 2k4i h GLY 56 Ca 0.47 -0.10 0.13 0.00 0.00 0.00 0.00 47.33 47.83 2k4i h GLY 56 CO -0.24 0.09 0.60 0.00 0.00 0.00 0.00 176.54 176.99 2k4i h GLN 58 N 0.86 0.56 0.00 0.00 -0.00 -1.21 -1.09 115.11 114.22 2k4i h GLN 58 Ca 0.46 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 59.02 2k4i h GLN 58 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.95 2k4i h GLN 58 CO -0.23 0.52 0.00 0.87 0.00 0.00 0.00 178.83 180.00 2k4i h LYS 59 N 0.55 0.00 0.12 1.69 1.57 -0.91 -3.08 116.57 116.50 2k4i h LYS 59 Ca 0.13 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.65 2k4i h LYS 59 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2k4i h LYS 59 CO -0.00 0.00 -1.26 0.82 -0.57 0.00 0.00 179.45 178.44 2k4i h ILE 60 N 0.00 1.15 -0.54 1.86 2.04 -0.95 -3.33 117.51 117.75 2k4i h ILE 60 Ca 0.00 -2.43 0.07 0.00 1.00 0.00 0.00 64.86 63.50 2k4i h ILE 60 Cb 0.45 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 2k4i h ILE 60 CO 0.00 0.70 0.36 -0.07 0.00 0.00 0.00 178.15 179.13 2k4i h LEU 61 N -0.34 0.40 -1.43 1.44 3.38 -1.40 0.12 115.31 117.48 2k4i h LEU 61 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2k4i h LEU 61 Cb 1.72 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2k4i h LEU 61 CO 0.07 0.26 -0.28 0.00 0.09 0.00 0.00 178.44 178.58 2k4i h THR 62 N 0.46 1.18 0.21 0.22 1.03 -1.66 0.28 112.91 114.62 2k4i h THR 62 Ca 0.23 -0.98 -0.34 0.00 -0.01 0.00 0.00 66.41 65.31 2k4i h THR 62 Cb 0.34 1.53 0.02 0.00 -1.07 0.00 0.00 68.15 68.97 2k4i h THR 62 CO -0.06 0.28 -1.61 0.58 -0.01 0.00 0.00 175.52 174.70 2k4i h VAL 63 N 0.00 1.09 0.00 0.00 2.07 -1.13 -3.32 116.25 114.96 2k4i h VAL 63 Ca -0.00 -2.58 -0.04 0.00 0.82 0.00 0.00 66.70 64.90 2k4i h VAL 63 Cb 0.51 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 2k4i h VAL 63 CO 0.04 0.83 -0.18 -0.07 0.02 0.00 0.00 177.57 178.21 2k4i h LEU 64 N 0.09 0.00 0.28 2.57 3.38 -1.06 -3.28 115.31 117.30 2k4i h LEU 64 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2k4i h LEU 64 Cb 2.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.82 2k4i h LEU 64 CO 0.21 0.18 -0.51 -0.78 0.09 0.00 0.00 178.44 177.63 2k4i h ASP 65 N 0.00 -1.49 0.43 -0.43 3.58 -0.55 -1.01 116.42 116.96 2k4i h ASP 65 Ca -0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2k4i h ASP 65 Cb 0.95 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.52 2k4i h ASP 65 CO 0.02 -0.60 0.00 -0.81 -2.88 0.00 0.00 179.24 174.98 2k4i n PRO 66 N -5.44 0.05 0.17 0.28 -0.04 -1.25 -2.16 135.00 126.62 2k4i n PRO 66 Ca -0.10 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 2k4i n PRO 66 Cb 0.43 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.82 0.54 2.86 -1.26 -3.34 114.93 114.55 2k4i h MET 67 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2k4i h MET 67 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k4i h MET 67 CO 0.00 0.00 -0.45 0.28 1.06 0.00 0.00 176.91 177.80 2k4i h VAL 68 N 0.00 0.09 0.00 -2.22 2.07 -0.89 0.13 116.25 115.43 2k4i h VAL 68 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k4i h VAL 68 Cb 1.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2k4i h VAL 68 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2k4i n PRO 69 N -5.61 0.49 -2.76 1.57 -0.04 -1.26 -2.88 135.00 124.52 2k4i n PRO 69 Ca -0.15 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 2k4i n PRO 69 Cb 0.48 -1.46 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 2k4i n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4i n THR 70 N -0.96 1.08 -3.39 0.52 -2.24 -0.84 -5.11 114.28 103.34 2k4i n THR 70 Ca 0.11 -2.87 -0.02 0.00 -2.27 0.00 0.00 64.05 58.99 2k4i n THR 70 Cb 0.05 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2k4i n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k4i n GLY 71 N -0.41 2.30 1.06 3.38 0.00 -0.02 -4.86 105.19 106.64 2k4i n GLY 71 Ca 0.07 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 2k4i n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4i n SER 72 N -1.52 2.10 -0.31 1.61 3.41 -1.26 -4.93 113.62 112.72 2k4i n SER 72 Ca -0.01 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 2k4i n SER 72 Cb 0.12 0.15 0.14 0.00 -0.26 0.00 0.00 64.21 64.36 2k4i n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2k4i h GLU 73 N 0.00 0.96 -0.11 4.33 4.11 -1.98 0.31 114.58 122.20 2k4i h GLU 73 Ca -0.12 -0.06 0.03 0.00 0.07 0.00 0.00 59.36 59.29 2k4i h GLU 73 Cb 0.37 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k4i h GLU 73 CO 0.19 0.64 0.14 -0.91 0.07 0.00 0.00 179.01 179.14 2k4i h ASN 74 N 0.99 0.00 0.00 3.06 2.35 -2.00 -0.40 115.58 119.58 2k4i h ASN 74 Ca 0.37 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.98 2k4i h ASN 74 Cb 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2k4i h ASN 74 CO -0.17 0.00 -1.23 -0.11 -1.65 0.00 0.00 177.43 174.27 2k4i n LEU 75 N -3.73 1.89 -0.25 1.61 0.00 -0.07 -4.34 117.00 112.12 2k4i n LEU 75 Ca -0.00 0.44 0.31 0.00 0.00 0.00 0.00 56.01 56.75 2k4i n LEU 75 Cb 0.24 -0.83 0.71 0.00 0.00 0.00 0.00 43.42 43.54 2k4i n LEU 75 CO 0.26 -0.06 1.28 0.11 0.00 0.00 0.00 177.39 178.99 2k4i h LYS 76 N -1.00 0.04 -0.58 1.96 1.57 -0.38 0.13 116.57 118.32 2k4i h LYS 76 Ca -0.21 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2k4i h LYS 76 Cb 1.04 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 2k4i h LYS 76 CO -0.13 0.03 0.35 0.77 -0.57 0.00 0.00 179.45 179.90 2k4i h SER 77 N 0.04 0.57 -0.28 0.86 0.02 -1.26 -1.86 113.55 111.64 2k4i h SER 77 Ca 0.50 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.41 2k4i h SER 77 Cb 1.91 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.32 2k4i h SER 77 CO -0.03 0.40 0.04 0.25 -1.14 0.00 0.00 176.83 176.34 2k4i h LEU 78 N 0.69 0.53 -1.52 5.07 5.85 -0.93 -2.16 115.31 122.84 2k4i h LEU 78 Ca 0.23 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2k4i h LEU 78 Cb 0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2k4i h LEU 78 CO -0.10 0.57 0.03 0.15 -0.34 0.00 0.00 178.44 178.75 2k4i h PHE 79 N 0.55 0.34 0.00 1.25 3.57 -1.23 0.78 116.94 122.21 2k4i h PHE 79 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2k4i h PHE 79 Cb 0.29 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2k4i h PHE 79 CO 0.01 0.33 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.49 2k4i h ASN 80 N 0.34 0.00 0.33 0.41 4.21 -1.06 -2.99 115.58 116.82 2k4i h ASN 80 Ca 0.08 -0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.26 2k4i h ASN 80 Cb 0.18 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.36 2k4i h ASN 80 CO 0.00 0.00 -1.76 0.74 -1.29 0.00 0.00 177.43 175.12 2k4i h THR 81 N 0.00 0.87 0.00 2.81 2.02 -0.89 -3.35 112.91 114.37 2k4i h THR 81 Ca 0.00 -2.59 -0.10 0.00 0.77 0.00 0.00 66.41 64.49 2k4i h THR 81 Cb 0.98 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 2k4i h THR 81 CO 0.00 0.77 -0.49 0.58 0.37 0.00 0.00 175.52 176.75 2k4i h VAL 82 N 0.06 1.19 0.00 3.16 2.07 -0.96 -2.66 116.25 119.11 2k4i h VAL 82 Ca -0.33 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 2k4i h VAL 82 Cb 2.03 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.80 2k4i h VAL 82 CO 0.12 0.48 -0.11 0.00 0.02 0.00 0.00 177.57 178.07 2k4i h VAL 84 N 0.00 0.00 -0.94 0.00 2.07 -1.62 -3.33 116.25 112.42 2k4i h VAL 84 Ca -0.00 -0.48 0.38 0.00 0.82 0.00 0.00 66.70 67.41 2k4i h VAL 84 Cb 0.53 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.13 2k4i h VAL 84 CO 0.01 0.00 0.45 -0.38 0.02 0.00 0.00 177.57 177.67 2k4i n ILE 85 N -3.39 -0.40 0.06 4.57 2.08 -1.03 0.79 119.36 122.05 2k4i n ILE 85 Ca -0.03 1.94 -0.12 0.00 0.56 0.00 0.00 62.75 65.10 2k4i n ILE 85 Cb 0.11 -3.11 -0.06 0.00 -0.75 0.00 0.00 39.64 35.83 2k4i n ILE 85 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 2k4i h TRP 86 N 0.00 -0.18 -0.44 1.39 7.01 -1.70 -2.88 115.95 119.15 2k4i h TRP 86 Ca 0.77 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.87 2k4i h TRP 86 Cb 2.01 0.08 -0.09 0.00 -2.10 0.00 0.00 29.16 29.05 2k4i h TRP 86 CO -0.07 -0.11 -0.27 0.00 -2.79 0.00 0.00 178.44 175.19 2k4i h ILE 88 N -0.19 0.50 0.03 0.00 2.04 -1.30 0.33 117.51 118.93 2k4i h ILE 88 Ca 0.20 -0.10 -0.22 0.00 1.00 0.00 0.00 64.86 65.73 2k4i h ILE 88 Cb 0.50 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2k4i h ILE 88 CO -0.54 0.05 -1.05 0.45 0.00 0.00 0.00 178.15 177.06 2k4i h HIS 89 N 0.30 0.15 -0.22 1.37 3.86 -0.46 -3.20 115.15 116.94 2k4i h HIS 89 Ca 0.58 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2k4i h HIS 89 Cb 1.66 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.12 2k4i h HIS 89 CO -0.00 1.06 0.00 0.00 0.86 0.00 0.00 177.93 179.85 2k4i n ALA 90 N -2.41 2.74 -3.43 2.45 0.00 0.11 -4.80 120.51 115.17 2k4i n ALA 90 Ca -0.02 -0.55 -0.18 0.00 0.00 0.00 0.00 53.44 52.68 2k4i n ALA 90 Cb 0.95 -1.01 0.07 0.00 0.00 0.00 0.00 19.45 19.45 2k4i n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4i n GLU 91 N 0.22 -4.20 -4.68 0.00 1.02 -0.79 -5.01 120.64 107.20 2k4i n GLU 91 Ca 0.09 0.78 -0.24 0.00 -0.02 0.00 0.00 57.16 57.77 2k4i n GLU 91 Cb 0.41 -5.58 -0.16 0.00 -0.02 0.00 0.00 31.44 26.09 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k4i s GLU 92 N -5.16 1.53 -0.25 3.49 0.41 -0.82 -5.04 118.70 112.85 2k4i s GLU 92 Ca 0.21 -0.50 -0.13 0.00 -0.41 0.00 0.00 54.97 54.15 2k4i s GLU 92 Cb -0.04 -1.34 -0.05 0.00 -1.78 0.00 0.00 34.13 30.93 2k4i s GLU 92 CO 0.76 0.18 0.26 -1.59 -0.49 0.00 0.00 175.26 174.38 2k4i s LYS 93 N 0.15 4.05 -0.06 1.61 -2.85 -1.26 -4.13 119.74 117.25 2k4i s LYS 93 Ca -0.05 -0.13 0.04 0.00 -1.00 0.00 0.00 55.97 54.83 2k4i s LYS 93 Cb -0.11 -3.59 0.00 0.00 -2.06 0.00 0.00 37.83 32.07 2k4i s LYS 93 CO 0.02 -0.09 -0.17 0.14 0.10 0.00 0.00 175.35 175.35 2k4i s VAL 94 N 1.49 1.44 0.09 1.79 -7.23 -1.26 -5.03 120.40 111.69 2k4i s VAL 94 Ca 0.11 -0.69 -0.10 0.00 -1.81 0.00 0.00 61.98 59.49 2k4i s VAL 94 Cb -0.15 -1.26 -0.23 0.00 0.56 0.00 0.00 36.38 35.30 2k4i s VAL 94 CO 0.08 0.42 1.21 0.11 -0.31 0.00 0.00 175.10 176.61 2k4i h LYS 95 N 6.54 0.57 -4.91 4.82 1.57 -1.97 -3.43 116.57 119.77 2k4i h LYS 95 Ca -0.30 -0.65 -0.34 0.00 -1.87 0.00 0.00 60.65 57.49 2k4i h LYS 95 Cb 1.19 0.20 -0.14 0.00 0.08 0.00 0.00 32.23 33.55 2k4i h LYS 95 CO 0.48 1.26 -0.64 0.16 -0.57 0.00 0.00 179.45 180.14 2k4i s ASP 96 N -7.24 1.36 0.30 0.86 -4.77 -1.26 -2.52 116.67 103.39 2k4i s ASP 96 Ca -0.08 -1.29 0.03 0.00 -3.30 0.00 0.00 52.55 47.91 2k4i s ASP 96 Cb 0.07 0.11 0.49 0.00 -1.09 0.00 0.00 42.92 42.50 2k4i s ASP 96 CO 0.90 -0.64 1.78 0.74 0.70 0.00 0.00 175.17 178.66 2k4i h THR 97 N 2.48 1.24 -0.08 2.11 2.02 -0.62 -3.00 112.91 117.07 2k4i h THR 97 Ca -0.38 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 65.73 2k4i h THR 97 Cb 1.23 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2k4i h THR 97 CO 0.62 0.35 0.04 -0.33 0.37 0.00 0.00 175.52 176.57 2k4i h GLU 98 N 0.46 0.08 -0.57 6.66 4.39 -1.80 -2.26 114.58 121.53 2k4i h GLU 98 Ca 0.08 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.81 2k4i h GLU 98 Cb 0.54 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 2k4i h GLU 98 CO 0.03 0.05 0.38 0.78 -1.16 0.00 0.00 179.01 179.09 2k4i h GLY 99 N 0.08 0.75 0.87 -3.84 0.00 -1.93 -2.45 103.07 96.55 2k4i h GLY 99 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2k4i h GLY 99 CO -0.02 0.23 0.06 0.00 0.00 0.00 0.00 176.54 176.81 2k4i h ALA 100 N 1.67 0.31 -0.16 3.60 0.00 -1.31 -2.59 119.26 120.77 2k4i h ALA 100 Ca 0.23 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k4i h ALA 100 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k4i h ALA 100 CO -0.06 -0.04 0.11 -0.22 0.00 0.00 0.00 179.25 179.04 2k4i h LYS 101 N 0.21 0.14 -0.29 0.00 3.64 -0.97 -1.47 116.57 117.82 2k4i h LYS 101 Ca 0.07 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 2k4i h LYS 101 Cb 0.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2k4i h LYS 101 CO 0.00 0.09 -0.42 1.96 -2.27 0.00 0.00 179.45 178.81 2k4i h GLN 102 N 0.14 0.71 -0.15 1.90 4.20 -1.13 -1.95 115.11 118.83 2k4i h GLN 102 Ca 0.07 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 2k4i h GLN 102 Cb 0.09 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2k4i h GLN 102 CO -0.01 1.00 -0.04 0.82 -0.67 0.00 0.00 178.83 179.93 2k4i h ILE 103 N 0.58 1.29 0.26 2.54 2.04 -0.92 -2.25 117.51 121.05 2k4i h ILE 103 Ca 0.04 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2k4i h ILE 103 Cb 0.97 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2k4i h ILE 103 CO 0.09 0.29 -0.13 0.58 0.00 0.00 0.00 178.15 178.99 2k4i h VAL 104 N -0.02 0.77 -0.23 1.67 2.07 -1.41 -1.28 116.25 117.82 2k4i h VAL 104 Ca 0.04 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2k4i h VAL 104 Cb 0.47 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 2k4i h VAL 104 CO 0.02 0.04 -0.22 -0.09 0.02 0.00 0.00 177.57 177.33 2k4i h ARG 105 N -0.43 -0.22 -0.88 1.57 1.12 -1.40 -1.14 114.38 113.00 2k4i h ARG 105 Ca -0.04 0.01 0.07 0.00 -1.11 0.00 0.00 59.98 58.92 2k4i h ARG 105 Cb 0.33 0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 30.27 2k4i h ARG 105 CO 0.06 -0.15 0.55 -0.09 -3.11 0.00 0.00 179.97 177.23 2k4i h ARG 106 N -0.23 0.96 0.00 0.20 9.65 -1.34 0.38 114.38 124.00 2k4i h ARG 106 Ca 0.13 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2k4i h ARG 106 Cb 0.43 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2k4i h ARG 106 CO -0.37 0.64 0.00 0.45 2.80 0.00 0.00 179.97 183.49 2k4i h HIS 107 N 0.99 0.00 0.10 2.20 3.86 -0.03 0.03 115.15 122.30 2k4i h HIS 107 Ca 0.39 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.23 2k4i h HIS 107 Cb 0.20 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 2k4i h HIS 107 CO -0.03 0.00 -2.09 1.28 0.86 0.00 0.00 177.93 177.95 2k4i n LEU 108 N -2.89 2.71 0.07 2.43 4.77 0.02 -4.05 117.00 120.06 2k4i n LEU 108 Ca -0.01 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 2k4i n LEU 108 Cb 0.17 -1.08 0.10 0.00 -2.33 0.00 0.00 43.42 40.28 2k4i n LEU 108 CO 0.21 0.87 0.46 0.58 -1.33 0.00 0.00 177.39 178.18 2k4i h VAL 109 N 0.05 1.38 -0.93 4.08 2.07 -1.07 -3.07 116.25 118.77 2k4i h VAL 109 Ca -0.46 -2.00 0.02 0.00 0.82 0.00 0.00 66.70 65.09 2k4i h VAL 109 Cb 2.01 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.73 2k4i h VAL 109 CO 0.05 0.59 0.61 0.00 0.02 0.00 0.00 177.57 178.85 2k4i h ALA 110 N 1.14 1.36 -0.34 1.67 0.00 -1.17 -2.22 119.26 119.70 2k4i h ALA 110 Ca -0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2k4i h ALA 110 Cb 1.13 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2k4i h ALA 110 CO 0.10 0.57 -0.20 0.93 0.00 0.00 0.00 179.25 180.65 2k4i h GLU 111 N 1.23 0.74 -0.12 0.00 3.07 -1.68 -2.94 114.58 114.88 2k4i h GLU 111 Ca 0.35 -0.34 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2k4i h GLU 111 Cb -0.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2k4i h GLU 111 CO -0.09 0.95 0.08 1.15 -1.40 0.00 0.00 179.01 179.71 2k4i h THR 112 N 0.52 0.99 0.00 1.13 2.02 -1.36 -1.12 112.91 115.08 2k4i h THR 112 Ca 0.07 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 2k4i h THR 112 Cb 0.75 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2k4i h THR 112 CO 0.06 0.02 -0.41 1.23 0.37 0.00 0.00 175.52 176.79 2k4i h GLY 113 N 0.09 0.00 -3.42 2.16 0.00 -1.23 -2.65 103.07 98.02 2k4i h GLY 113 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.95 2k4i h GLY 113 CO -0.01 0.00 0.42 2.41 0.00 0.00 0.00 176.54 179.37 2k4i n THR 114 N -3.80 3.04 0.00 4.70 -1.04 -0.44 -4.40 114.28 112.34 2k4i n THR 114 Ca -0.01 -2.31 0.00 0.00 -2.04 0.00 0.00 64.05 59.69 2k4i n THR 114 Cb 0.47 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4i n ALA 115 N -1.12 2.52 0.50 2.41 0.00 -1.11 -4.51 120.51 119.20 2k4i n ALA 115 Ca 0.52 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.77 2k4i n ALA 115 Cb 1.39 0.13 -0.09 0.00 0.00 0.00 0.00 19.45 20.88 2k4i n ALA 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k4i h GLU 116 N 0.00 -1.22 0.19 0.00 5.08 -1.69 -3.31 114.58 113.63 2k4i h GLU 116 Ca 0.00 0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 58.11 2k4i h GLU 116 Cb 0.26 0.28 0.02 0.00 0.50 0.00 0.00 28.75 29.80 2k4i h GLU 116 CO 0.00 -0.81 -1.56 0.87 -1.00 0.00 0.00 179.01 176.51 2k4i h LYS 117 N -1.29 0.41 -3.02 2.33 1.79 -1.84 -3.51 116.57 111.45 2k4i h LYS 117 Ca -0.13 -0.70 0.28 0.00 -2.18 0.00 0.00 60.65 57.93 2k4i h LYS 117 Cb 0.97 0.26 -0.16 0.00 -1.58 0.00 0.00 32.23 31.72 2k4i h LYS 117 CO 0.21 1.32 -1.09 -1.33 -1.08 0.00 0.00 179.45 177.48 2k4i n MET 118 N -3.60 -2.90 -2.26 3.15 2.81 -1.25 -4.87 117.12 108.20 2k4i n MET 118 Ca -0.19 2.37 -0.36 0.00 -1.81 0.00 0.00 57.70 57.72 2k4i n MET 118 Cb 1.08 -3.36 -0.00 0.00 -0.71 0.00 0.00 33.22 30.23 2k4i n MET 118 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2k4i s PRO 119 N -4.19 3.48 0.05 0.03 0.04 -1.26 -4.97 135.00 128.18 2k4i s PRO 119 Ca 0.00 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 2k4i s PRO 119 Cb 0.00 -2.13 -0.27 0.00 0.04 0.00 0.00 34.50 32.13 2k4i s PRO 119 CO 0.00 -0.76 1.03 1.03 0.04 0.00 0.00 177.00 178.34 2k4i h SER 120 N 1.47 0.37 -2.21 6.66 0.87 -1.96 -3.47 113.55 115.29 2k4i h SER 120 Ca -0.50 -0.44 -0.44 0.00 -1.23 0.00 0.00 61.79 59.17 2k4i h SER 120 Cb 1.26 -0.12 0.05 0.00 -0.44 0.00 0.00 62.40 63.15 2k4i h SER 120 CO 0.58 1.36 -0.03 0.42 -0.53 0.00 0.00 176.83 178.62 2k4i s THR 121 N -2.64 2.56 -0.56 2.23 -4.23 -1.26 -5.01 115.64 106.73 2k4i s THR 121 Ca -0.06 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 2k4i s THR 121 Cb 0.07 -2.85 0.51 0.00 1.34 0.00 0.00 72.50 71.57 2k4i s THR 121 CO 0.87 0.00 1.97 -1.20 -0.54 0.00 0.00 174.62 175.72 2k4i n SER 122 N -2.38 6.10 -4.26 3.99 7.64 -1.26 -4.93 113.62 118.51 2k4i n SER 122 Ca 0.10 -3.65 -0.25 0.00 1.01 0.00 0.00 58.87 56.08 2k4i n SER 122 Cb 0.60 -0.92 -0.14 0.00 -1.01 0.00 0.00 64.21 62.74 2k4i n SER 122 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2k4i s ARG 123 N -3.44 1.34 0.18 1.43 1.81 -1.26 -5.12 118.95 113.89 2k4i s ARG 123 Ca 0.59 -1.01 -0.30 0.00 -1.72 0.00 0.00 55.73 53.29 2k4i s ARG 123 Cb 0.47 -1.50 -0.08 0.00 -0.45 0.00 0.00 34.95 33.39 2k4i s ARG 123 CO 0.03 0.37 1.31 -1.25 -0.68 0.00 0.00 175.30 175.09 2k4i s PRO 124 N -1.36 4.38 -0.28 3.54 0.04 -1.26 -5.02 135.00 135.04 2k4i s PRO 124 Ca 0.07 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 2k4i s PRO 124 Cb -0.09 -3.21 0.16 0.00 0.04 0.00 0.00 34.50 31.40 2k4i s PRO 124 CO 0.02 -0.28 0.53 0.99 0.04 0.00 0.00 177.00 178.30 2k4i s THR 125 N 0.30 -0.86 0.73 1.26 2.01 -1.26 -5.15 115.64 112.66 2k4i s THR 125 Ca 0.58 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 2k4i s THR 125 Cb -0.36 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2k4i s THR 125 CO 0.37 -0.03 0.81 0.00 -0.69 0.00 0.00 174.62 175.07 2k4i n ALA 126 N 5.41 -0.72 -0.05 7.40 0.00 -1.26 -4.94 120.51 126.35 2k4i n ALA 126 Ca -0.03 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 2k4i n ALA 126 Cb 0.50 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 2k4i n ALA 126 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k4i h PRO 127 N -0.33 0.35 -6.65 0.00 0.13 -2.01 -3.45 132.00 120.04 2k4i h PRO 127 Ca -0.47 -0.18 -0.69 0.00 -0.87 0.00 0.00 66.00 63.79 2k4i h PRO 127 Cb 1.34 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.25 2k4i h PRO 127 CO 0.45 0.74 -0.82 -1.54 -0.23 0.00 0.00 178.00 176.59 2k4i s SER 128 N -6.12 3.66 -0.31 1.44 1.04 -1.26 -5.03 113.70 107.13 2k4i s SER 128 Ca -0.14 -0.50 0.08 0.00 0.48 0.00 0.00 55.95 55.87 2k4i s SER 128 Cb 0.05 -0.51 0.29 0.00 0.10 0.00 0.00 66.02 65.95 2k4i s SER 128 CO 0.75 0.24 1.26 -1.54 0.98 0.00 0.00 173.24 174.93 2k4i n SER 129 N 1.42 -1.38 -4.21 7.02 3.41 -1.26 -5.14 113.62 113.48 2k4i n SER 129 Ca -0.16 -2.05 -0.23 0.00 -0.26 0.00 0.00 58.87 56.17 2k4i n SER 129 Cb 0.52 0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 65.11 2k4i n SER 129 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k4i s GLU 130 N 0.12 1.21 0.17 4.33 2.02 -1.26 -5.04 118.70 120.26 2k4i s GLU 130 Ca 0.12 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.30 2k4i s GLU 130 Cb 0.30 -1.28 -0.00 0.00 0.10 0.00 0.00 34.13 33.25 2k4i s GLU 130 CO -0.08 0.32 1.39 -0.22 0.02 0.00 0.00 175.26 176.70 2k4i h LYS 131 N 4.93 0.09 0.00 1.61 3.11 -2.07 -3.50 116.57 120.74 2k4i h LYS 131 Ca -0.41 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2k4i h LYS 131 Cb 1.17 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2k4i h LYS 131 CO 0.44 0.90 0.00 0.41 -2.81 0.00 0.00 179.45 178.39 2k4i n GLY 132 N 0.91 -2.91 0.00 5.01 0.00 -1.26 -5.00 105.19 101.93 2k4i n GLY 132 Ca -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2k4i n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 133 N -0.13 0.68 3.76 -0.02 0.00 -1.26 -5.10 105.19 103.12 2k4i n GLY 133 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 4.56 0.00 1.61 4.22 -1.26 -5.31 114.94 117.77 2k4i s ASN 134 Ca 0.00 -0.97 0.08 0.00 -2.14 0.00 0.00 52.86 49.83 2k4i s ASN 134 Cb 0.00 -0.54 0.07 0.00 1.28 0.00 0.00 41.25 42.06 2k4i s ASN 134 CO 0.00 -0.51 0.76 0.00 -2.04 0.00 0.00 177.10 175.31