#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h n ALA 3 N 0.00 1.00 -3.79 4.61 0.00 -1.26 -5.11 120.51 115.96 2k4h n ALA 3 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2k4h n ALA 3 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2k4h n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k4h s ARG 4 N -1.99 1.01 0.00 0.00 0.52 -1.26 -5.07 118.95 112.16 2k4h s ARG 4 Ca 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 2k4h s ARG 4 Cb 0.00 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.28 2k4h s ARG 4 CO 0.00 -0.25 0.82 -1.71 0.02 0.00 0.00 175.30 174.18 2k4h n ASN 5 N 4.89 0.00 -4.46 0.23 5.15 -1.26 -4.36 115.26 115.45 2k4h n ASN 5 Ca -0.12 0.82 -0.43 0.00 -0.60 0.00 0.00 54.58 54.25 2k4h n ASN 5 Cb 0.50 -0.32 -0.05 0.00 -0.53 0.00 0.00 39.78 39.38 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2k4h s SER 6 N -2.05 6.22 0.00 1.20 0.01 -1.26 -4.88 113.70 112.95 2k4h s SER 6 Ca 0.00 -0.89 -0.16 0.00 1.31 0.00 0.00 55.95 56.20 2k4h s SER 6 Cb 0.00 -2.38 -0.34 0.00 0.21 0.00 0.00 66.02 63.51 2k4h s SER 6 CO 0.00 -1.23 0.92 0.58 0.41 0.00 0.00 173.24 173.93 2k4h h VAL 7 N 5.95 1.26 -4.25 3.43 2.07 -2.04 -3.46 116.25 119.21 2k4h h VAL 7 Ca -0.28 -2.64 -0.52 0.00 0.82 0.00 0.00 66.70 64.08 2k4h h VAL 7 Cb 1.08 3.02 0.19 0.00 -1.52 0.00 0.00 31.29 34.06 2k4h h VAL 7 CO 1.10 0.80 0.26 -0.76 0.02 0.00 0.00 177.57 178.99 2k4h s LEU 8 N -7.60 2.94 0.00 2.57 1.43 -1.26 -5.05 118.68 111.71 2k4h s LEU 8 Ca -0.11 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2k4h s LEU 8 Cb 0.04 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.69 2k4h s LEU 8 CO 0.91 -2.94 0.02 -1.14 0.23 0.00 0.00 176.35 173.44 2k4h n ARG 9 N -3.94 1.32 0.00 1.70 3.00 -1.26 -4.98 116.66 112.51 2k4h n ARG 9 Ca 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 2k4h n ARG 9 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.98 2k4h n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4h n GLY 10 N 4.74 0.31 0.25 5.14 0.00 -1.26 -2.72 105.19 111.65 2k4h n GLY 10 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2k4h n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4h h LYS 11 N 0.00 0.00 -0.06 1.61 3.64 -2.02 -2.08 116.57 117.66 2k4h h LYS 11 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 2k4h h LYS 11 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2k4h h LYS 11 CO 0.00 0.11 -0.76 0.87 -2.27 0.00 0.00 179.45 177.40 2k4h h LYS 12 N 0.00 0.39 -0.97 1.90 1.79 -1.99 -3.20 116.57 114.49 2k4h h LYS 12 Ca -0.00 -0.33 0.08 0.00 -2.18 0.00 0.00 60.65 58.22 2k4h h LYS 12 Cb 0.23 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 2k4h h LYS 12 CO 0.01 0.98 0.61 0.00 -1.08 0.00 0.00 179.45 179.98 2k4h h ALA 13 N 0.92 1.37 0.66 3.86 0.00 -1.17 -2.07 119.26 122.83 2k4h h ALA 13 Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k4h h ALA 13 Cb 1.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k4h h ALA 13 CO 0.13 0.33 -0.39 -0.44 0.00 0.00 0.00 179.25 178.89 2k4h h ASP 14 N 1.07 -0.97 -0.96 0.00 5.19 -1.55 0.52 116.42 119.73 2k4h h ASP 14 Ca 0.44 0.05 0.27 0.00 -0.62 0.00 0.00 57.03 57.17 2k4h h ASP 14 Cb 0.27 0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.01 2k4h h ASP 14 CO -0.20 -0.60 0.68 -0.08 -3.12 0.00 0.00 179.24 175.92 2k4h h GLU 15 N -0.97 0.03 -0.04 3.56 4.57 -1.59 0.35 114.58 120.49 2k4h h GLU 15 Ca -0.09 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 2k4h h GLU 15 Cb 0.77 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2k4h h GLU 15 CO 0.10 0.02 -0.17 1.25 -1.18 0.00 0.00 179.01 179.03 2k4h h LEU 16 N 0.03 0.22 0.00 1.64 7.12 -0.83 -3.10 115.31 120.39 2k4h h LEU 16 Ca 0.46 -0.65 0.00 0.00 0.13 0.00 0.00 57.88 57.82 2k4h h LEU 16 Cb 1.79 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.85 2k4h h LEU 16 CO -0.02 0.83 0.00 1.21 -0.13 0.00 0.00 178.44 180.33 2k4h n GLU 17 N -4.59 0.03 0.09 1.25 2.13 0.13 -2.77 120.64 116.90 2k4h n GLU 17 Ca -0.09 0.11 -0.02 0.00 0.66 0.00 0.00 57.16 57.83 2k4h n GLU 17 Cb 0.42 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.58 2k4h n GLU 17 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2k4h h ARG 18 N 0.00 0.00 -6.65 5.31 2.43 -0.35 -3.42 114.38 111.70 2k4h h ARG 18 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 2k4h h ARG 18 Cb 0.37 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2k4h h ARG 18 CO 0.00 0.64 0.65 0.42 -1.51 0.00 0.00 179.97 180.17 2k4h s ILE 19 N -2.84 3.27 -0.06 1.20 1.01 -1.12 -4.97 121.20 117.69 2k4h s ILE 19 Ca 0.01 1.03 -0.13 0.00 0.00 0.00 0.00 60.65 61.56 2k4h s ILE 19 Cb 0.09 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2k4h s ILE 19 CO 0.79 0.14 0.32 -0.13 0.00 0.00 0.00 174.94 176.06 2k4h s ARG 20 N 0.06 3.87 0.53 2.79 0.52 -1.15 -1.88 118.95 123.69 2k4h s ARG 20 Ca 0.57 0.22 0.18 0.00 -0.52 0.00 0.00 55.73 56.18 2k4h s ARG 20 Cb -0.36 -3.26 1.34 0.00 0.52 0.00 0.00 34.95 33.20 2k4h s ARG 20 CO 0.37 0.61 2.16 -0.07 0.02 0.00 0.00 175.30 178.39 2k4h h LEU 21 N 5.21 0.00 -8.86 2.53 3.38 -0.79 -0.75 115.31 116.03 2k4h h LEU 21 Ca -0.50 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.05 2k4h h LEU 21 Cb 1.21 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 2k4h h LEU 21 CO 0.64 0.00 -0.71 -0.13 0.09 0.00 0.00 178.44 178.33 2k4h s ARG 22 N -5.01 1.29 0.28 1.13 3.00 -1.26 -3.95 118.95 114.43 2k4h s ARG 22 Ca -0.05 -1.59 0.06 0.00 0.00 0.00 0.00 55.73 54.16 2k4h s ARG 22 Cb 0.17 -0.93 0.41 0.00 0.00 0.00 0.00 34.95 34.59 2k4h s ARG 22 CO 0.65 0.10 1.66 -1.00 0.00 0.00 0.00 175.30 176.72 2k4h h PRO 23 N 2.57 0.22 -0.19 3.54 0.13 -1.94 -3.28 132.00 133.05 2k4h h PRO 23 Ca -0.38 -0.11 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 2k4h h PRO 23 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 2k4h h PRO 23 CO 0.63 0.65 -0.76 0.41 -0.23 0.00 0.00 178.00 178.70 2k4h n GLY 24 N -0.06 4.02 0.60 1.56 0.00 -1.26 -5.01 105.19 105.04 2k4h n GLY 24 Ca -0.02 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.53 2k4h n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 25 N -0.59 2.62 0.13 -0.02 0.00 -1.24 -5.06 105.19 101.04 2k4h n GLY 25 Ca 0.19 -2.17 0.03 0.00 0.00 0.00 0.00 46.02 44.07 2k4h n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4h n LYS 26 N -0.88 1.21 -4.24 1.61 5.02 -1.26 -4.92 118.16 114.69 2k4h n LYS 26 Ca 0.01 -1.49 -0.35 0.00 -2.02 0.00 0.00 58.31 54.46 2k4h n LYS 26 Cb 0.10 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 34.08 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4h s LYS 27 N -1.11 3.45 0.21 1.97 1.02 -1.26 -5.05 119.74 118.97 2k4h s LYS 27 Ca 0.09 -0.39 0.08 0.00 0.02 0.00 0.00 55.97 55.77 2k4h s LYS 27 Cb 0.08 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2k4h s LYS 27 CO 0.01 0.49 -0.01 0.15 -0.92 0.00 0.00 175.35 175.07 2k4h s LYS 28 N -0.27 2.32 0.58 1.68 1.02 -1.26 -0.07 119.74 123.74 2k4h s LYS 28 Ca 0.07 -1.23 -0.20 0.00 0.02 0.00 0.00 55.97 54.62 2k4h s LYS 28 Cb -0.12 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2k4h s LYS 28 CO 0.02 0.42 1.26 0.66 -0.92 0.00 0.00 175.35 176.79 2k4h n TYR 29 N -0.38 1.92 -4.00 3.18 4.01 -0.79 -4.79 117.16 116.31 2k4h n TYR 29 Ca -0.09 0.43 -0.09 0.00 -0.16 0.00 0.00 57.90 58.00 2k4h n TYR 29 Cb 0.57 -2.30 -0.05 0.00 -0.31 0.00 0.00 39.34 37.25 2k4h n TYR 29 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2k4h s ARG 30 N -2.95 1.55 0.52 -0.72 3.52 -1.26 -4.46 118.95 115.15 2k4h s ARG 30 Ca 0.75 -1.26 0.29 0.00 -0.13 0.00 0.00 55.73 55.37 2k4h s ARG 30 Cb -0.41 0.47 1.40 0.00 -1.56 0.00 0.00 34.95 34.85 2k4h s ARG 30 CO 0.47 -0.65 1.89 -0.07 -0.81 0.00 0.00 175.30 176.13 2k4h h LEU 31 N 2.25 0.07 -0.57 -0.88 3.38 -2.00 -0.55 115.31 117.02 2k4h h LEU 31 Ca -0.26 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.82 2k4h h LEU 31 Cb 1.25 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 2k4h h LEU 31 CO 0.36 0.03 0.10 0.50 0.09 0.00 0.00 178.44 179.51 2k4h h LYS 32 N 0.07 0.22 -0.03 1.13 3.64 -1.99 0.25 116.57 119.87 2k4h h LYS 32 Ca 0.42 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2k4h h LYS 32 Cb 1.55 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 2k4h h LYS 32 CO -0.04 0.14 -0.39 0.45 -2.27 0.00 0.00 179.45 177.35 2k4h h HIS 33 N 0.22 0.06 -0.30 1.91 3.86 -1.51 -3.00 115.15 116.41 2k4h h HIS 33 Ca 0.30 -0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.32 2k4h h HIS 33 Cb 0.44 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 2k4h h HIS 33 CO -0.26 0.44 -0.50 0.82 0.86 0.00 0.00 177.93 179.29 2k4h h ILE 34 N 0.05 1.28 -0.47 2.45 2.04 -0.98 -2.75 117.51 119.12 2k4h h ILE 34 Ca 0.00 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.21 2k4h h ILE 34 Cb 0.71 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 2k4h h ILE 34 CO 0.05 0.55 0.26 0.58 0.00 0.00 0.00 178.15 179.59 2k4h h VAL 35 N 0.64 1.01 -0.18 1.67 2.07 -0.99 -0.69 116.25 119.78 2k4h h VAL 35 Ca 0.02 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 2k4h h VAL 35 Cb 1.10 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2k4h h VAL 35 CO 0.11 0.09 -0.16 -0.25 0.02 0.00 0.00 177.57 177.39 2k4h h TRP 36 N 0.51 0.31 0.51 1.57 7.01 -1.54 0.12 115.95 124.44 2k4h h TRP 36 Ca 0.20 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 2k4h h TRP 36 Cb 0.06 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2k4h h TRP 36 CO -0.08 0.44 -0.25 0.00 -2.79 0.00 0.00 178.44 175.76 2k4h h ALA 37 N 1.57 -0.69 -0.89 2.65 0.00 -1.03 -1.42 119.26 119.46 2k4h h ALA 37 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k4h h ALA 37 Cb 0.44 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2k4h h ALA 37 CO 0.03 -0.67 0.55 0.00 0.00 0.00 0.00 179.25 179.15 2k4h h ALA 38 N -0.98 1.30 -0.29 0.00 0.00 -1.15 -1.12 119.26 117.02 2k4h h ALA 38 Ca -0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2k4h h ALA 38 Cb 0.58 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k4h h ALA 38 CO 0.12 0.61 -0.08 -0.97 0.00 0.00 0.00 179.25 178.93 2k4h h ASN 39 N 1.21 0.45 0.27 0.00 -0.00 -1.02 -2.45 115.58 114.05 2k4h h ASN 39 Ca 0.32 -0.10 -0.20 0.00 -0.00 0.00 0.00 56.30 56.31 2k4h h ASN 39 Cb -0.08 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 38.12 2k4h h ASN 39 CO -0.06 0.58 -0.82 0.11 -0.00 0.00 0.00 177.43 177.23 2k4h h LYS 40 N 0.45 0.43 0.64 6.67 1.79 -0.51 -2.93 116.57 123.11 2k4h h LYS 40 Ca 0.09 -0.40 -0.03 0.00 -2.18 0.00 0.00 60.65 58.13 2k4h h LYS 40 Cb 0.42 0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2k4h h LYS 40 CO 0.02 1.04 -0.31 -0.07 -1.08 0.00 0.00 179.45 179.06 2k4h h LEU 41 N 0.27 -0.73 -0.78 2.94 3.38 -0.90 0.16 115.31 119.64 2k4h h LEU 41 Ca -0.05 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.11 2k4h h LEU 41 Cb 1.43 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.26 2k4h h LEU 41 CO 0.14 -0.48 0.27 0.44 0.09 0.00 0.00 178.44 178.90 2k4h h ASP 42 N -0.96 0.17 0.54 -0.43 3.32 -0.69 0.38 116.42 118.75 2k4h h ASP 42 Ca -0.09 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2k4h h ASP 42 Cb 0.66 0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.37 2k4h h ASP 42 CO 0.15 0.01 -0.26 0.03 -1.72 0.00 0.00 179.24 177.45 2k4h h ARG 43 N 0.35 -0.70 -1.04 3.56 2.47 -1.46 -3.07 114.38 114.50 2k4h h ARG 43 Ca 0.45 0.05 0.27 0.00 -1.26 0.00 0.00 59.98 59.49 2k4h h ARG 43 Cb 0.77 0.16 -0.11 0.00 -1.65 0.00 0.00 29.97 29.14 2k4h h ARG 43 CO -0.49 -0.46 0.65 0.74 0.56 0.00 0.00 179.97 180.97 2k4h h PHE 44 N -0.83 0.79 0.00 3.04 0.04 -0.32 -3.44 116.94 116.21 2k4h h PHE 44 Ca -0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k4h h PHE 44 Cb 0.55 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2k4h h PHE 44 CO 0.07 0.05 0.00 0.41 -0.60 0.00 0.00 178.31 178.24 2k4h n GLY 45 N -1.41 1.07 3.82 -1.45 0.00 0.68 -5.08 105.19 102.82 2k4h n GLY 45 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 2k4h n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4h s LEU 46 N 0.00 3.02 0.29 0.99 1.43 1.00 -4.84 118.68 120.56 2k4h s LEU 46 Ca 0.00 1.52 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 2k4h s LEU 46 Cb 0.00 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 2k4h s LEU 46 CO 0.00 -1.50 0.23 0.00 0.23 0.00 0.00 176.35 175.30 2k4h s ALA 47 N -3.09 3.67 -1.70 4.21 0.00 -1.26 -1.18 121.76 122.41 2k4h s ALA 47 Ca 0.58 -1.52 0.24 0.00 0.00 0.00 0.00 51.96 51.26 2k4h s ALA 47 Cb -0.14 -1.23 1.31 0.00 0.00 0.00 0.00 23.12 23.07 2k4h s ALA 47 CO 0.55 0.15 1.79 -0.85 0.00 0.00 0.00 175.76 177.40 2k4h n GLU 48 N -1.25 0.54 0.30 0.00 0.00 -1.26 -3.40 120.64 115.57 2k4h n GLU 48 Ca -0.05 0.03 0.17 0.00 0.00 0.00 0.00 57.16 57.31 2k4h n GLU 48 Cb 0.59 -1.50 0.90 0.00 0.00 0.00 0.00 31.44 31.43 2k4h n GLU 48 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2k4h h SER 49 N 0.00 0.00 -0.88 -1.84 0.02 -2.00 0.76 113.55 109.61 2k4h h SER 49 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 2k4h h SER 49 Cb 0.11 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.38 2k4h h SER 49 CO 0.00 0.00 0.59 0.18 -1.14 0.00 0.00 176.83 176.46 2k4h n LEU 50 N -2.79 6.35 0.00 5.07 4.77 -1.22 -4.10 117.00 125.07 2k4h n LEU 50 Ca -0.02 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.57 2k4h n LEU 50 Cb 0.20 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2k4h n LEU 50 CO 0.15 1.01 -0.40 0.18 -1.33 0.00 0.00 177.39 176.99 2k4h n LEU 51 N -0.92 0.80 -1.77 2.23 4.77 0.26 -3.28 117.00 119.08 2k4h n LEU 51 Ca 0.53 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.47 2k4h n LEU 51 Cb 1.48 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 42.87 2k4h n LEU 51 CO 0.54 0.13 0.96 -1.84 -1.33 0.00 0.00 177.39 175.86 2k4h n GLU 52 N -1.91 3.50 -3.66 3.23 -0.00 -1.25 -4.87 120.64 115.68 2k4h n GLU 52 Ca 0.00 -3.08 -0.07 0.00 -0.00 0.00 0.00 57.16 54.01 2k4h n GLU 52 Cb 0.40 -2.14 -0.09 0.00 -0.00 0.00 0.00 31.44 29.62 2k4h n GLU 52 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2k4h s SER 53 N -1.30 -0.50 0.20 -1.84 1.04 -1.26 -5.04 113.70 105.00 2k4h s SER 53 Ca 0.53 1.12 -0.11 0.00 0.48 0.00 0.00 55.95 57.96 2k4h s SER 53 Cb 0.42 1.45 0.22 0.00 0.10 0.00 0.00 66.02 68.21 2k4h s SER 53 CO 0.12 -0.22 1.75 0.50 0.98 0.00 0.00 173.24 176.37 2k4h h LYS 54 N 7.92 0.39 0.00 4.02 3.64 -1.91 0.66 116.57 131.29 2k4h h LYS 54 Ca -0.20 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2k4h h LYS 54 Cb 1.12 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2k4h h LYS 54 CO 0.14 0.26 -0.02 1.49 -2.27 0.00 0.00 179.45 179.06 2k4h h GLU 55 N 0.41 0.00 0.00 1.90 4.81 -1.97 -2.57 114.58 117.16 2k4h h GLU 55 Ca 0.27 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 2k4h h GLU 55 Cb 0.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.69 2k4h h GLU 55 CO -0.26 0.02 -0.52 0.78 -0.73 0.00 0.00 179.01 178.30 2k4h h GLY 56 N 0.08 0.38 1.39 1.92 0.00 -1.18 -3.21 103.07 102.45 2k4h h GLY 56 Ca -0.00 -0.68 0.06 0.00 0.00 0.00 0.00 47.33 46.71 2k4h h GLY 56 CO 0.00 0.60 0.24 0.00 0.00 0.00 0.00 176.54 177.39 2k4h h GLN 58 N 0.00 0.00 0.00 0.00 4.15 -1.53 -2.84 115.11 114.88 2k4h h GLN 58 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2k4h h GLN 58 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2k4h h GLN 58 CO -0.00 0.17 0.00 0.87 -1.93 0.00 0.00 178.83 177.94 2k4h h LYS 59 N 0.00 0.00 0.09 1.69 1.79 -0.47 -2.90 116.57 116.76 2k4h h LYS 59 Ca -0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 2k4h h LYS 59 Cb 0.85 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2k4h h LYS 59 CO 0.02 0.00 -1.40 0.82 -1.08 0.00 0.00 179.45 177.81 2k4h h ILE 60 N 0.00 0.98 -0.16 1.86 2.04 -1.51 -3.34 117.51 117.38 2k4h h ILE 60 Ca 0.00 -2.34 -0.02 0.00 1.00 0.00 0.00 64.86 63.50 2k4h h ILE 60 Cb 0.76 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 2k4h h ILE 60 CO 0.00 0.64 0.00 -0.07 0.00 0.00 0.00 178.15 178.72 2k4h h LEU 61 N -0.44 0.20 -1.61 1.44 3.38 -1.58 0.20 115.31 116.91 2k4h h LEU 61 Ca -0.32 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2k4h h LEU 61 Cb 1.66 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2k4h h LEU 61 CO -0.00 0.25 -0.21 0.00 0.09 0.00 0.00 178.44 178.57 2k4h h THR 62 N 0.22 1.06 0.06 0.22 1.03 -1.65 0.27 112.91 114.12 2k4h h THR 62 Ca 0.05 -0.73 -0.37 0.00 -0.01 0.00 0.00 66.41 65.35 2k4h h THR 62 Cb 0.16 1.41 -0.04 0.00 -1.07 0.00 0.00 68.15 68.60 2k4h h THR 62 CO 0.00 0.20 -2.19 0.52 -0.01 0.00 0.00 175.52 174.05 2k4h n VAL 63 N -4.16 1.63 0.14 0.00 0.31 -0.62 -4.28 118.33 111.35 2k4h n VAL 63 Ca -0.02 -0.65 -0.01 0.00 -0.01 0.00 0.00 64.34 63.65 2k4h n VAL 63 Cb 0.27 -1.47 0.22 0.00 -0.91 0.00 0.00 33.84 31.95 2k4h n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k4h h LEU 64 N 0.03 0.04 0.15 7.52 3.38 -0.55 -2.93 115.31 122.95 2k4h h LEU 64 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k4h h LEU 64 Cb 2.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.70 2k4h h LEU 64 CO 0.02 0.57 -0.39 0.44 0.09 0.00 0.00 178.44 179.17 2k4h h ASP 65 N 0.03 -1.14 0.55 -0.43 3.32 -0.64 -0.65 116.42 117.46 2k4h h ASP 65 Ca -0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2k4h h ASP 65 Cb 0.95 0.41 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2k4h h ASP 65 CO 0.07 -0.43 0.00 -0.81 -1.72 0.00 0.00 179.24 176.35 2k4h n PRO 66 N -4.66 0.05 0.13 3.56 -0.04 -1.24 -2.12 135.00 130.68 2k4h n PRO 66 Ca -0.07 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2k4h n PRO 66 Cb 0.31 -1.60 0.12 0.00 -0.04 0.00 0.00 33.50 32.28 2k4h n PRO 66 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4h h MET 67 N 0.00 0.00 0.63 0.54 2.86 -1.06 -3.32 114.93 114.57 2k4h h MET 67 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k4h h MET 67 Cb 0.28 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.94 2k4h h MET 67 CO 0.00 0.00 -0.30 0.28 1.06 0.00 0.00 176.91 177.95 2k4h h VAL 68 N 0.00 0.17 0.00 -2.22 2.07 -0.62 0.29 116.25 115.94 2k4h h VAL 68 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2k4h h VAL 68 Cb 0.93 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2k4h h VAL 68 CO 0.00 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4h n PRO 69 N -5.36 0.49 -2.69 1.57 -0.04 -1.26 -3.15 135.00 124.56 2k4h n PRO 69 Ca -0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.28 2k4h n PRO 69 Cb 0.35 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2k4h n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4h n THR 70 N -0.99 0.45 -3.73 0.52 -2.24 -1.12 -5.13 114.28 102.04 2k4h n THR 70 Ca 0.11 -2.14 -0.08 0.00 -2.27 0.00 0.00 64.05 59.67 2k4h n THR 70 Cb 0.05 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k4h n GLY 71 N -0.47 1.94 2.45 3.38 0.00 0.99 -4.79 105.19 108.69 2k4h n GLY 71 Ca 0.01 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 2k4h n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4h n SER 72 N -1.59 0.76 0.08 1.61 3.41 -1.26 -4.95 113.62 111.68 2k4h n SER 72 Ca -0.02 -1.67 -0.09 0.00 -0.26 0.00 0.00 58.87 56.82 2k4h n SER 72 Cb 0.40 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 2k4h n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k4h h GLU 73 N 0.00 0.13 -0.13 4.33 4.81 -1.98 -3.19 114.58 118.55 2k4h h GLU 73 Ca -0.22 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 2k4h h GLU 73 Cb 0.77 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2k4h h GLU 73 CO 0.22 1.01 0.22 -0.91 -0.73 0.00 0.00 179.01 178.82 2k4h h ASN 74 N 0.05 0.00 0.20 1.04 4.21 -2.02 -0.96 115.58 118.10 2k4h h ASN 74 Ca -0.05 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.11 2k4h h ASN 74 Cb 1.69 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.88 2k4h h ASN 74 CO 0.15 0.00 -1.83 0.25 -1.29 0.00 0.00 177.43 174.70 2k4h h LEU 75 N 0.00 0.50 -1.00 1.61 6.46 -1.95 -3.36 115.31 117.57 2k4h h LEU 75 Ca 0.06 -0.88 0.10 0.00 -0.12 0.00 0.00 57.88 57.04 2k4h h LEU 75 Cb 0.50 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.19 2k4h h LEU 75 CO -0.00 1.77 0.64 0.11 -0.62 0.00 0.00 178.44 180.33 2k4h h LYS 76 N 0.09 1.04 -0.81 1.25 1.57 -1.21 0.55 116.57 119.05 2k4h h LYS 76 Ca -0.37 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2k4h h LYS 76 Cb 2.07 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 34.09 2k4h h LYS 76 CO 0.14 0.69 0.51 1.03 -0.57 0.00 0.00 179.45 181.24 2k4h h SER 77 N 1.07 0.82 0.54 0.86 0.87 -1.59 -0.93 113.55 115.18 2k4h h SER 77 Ca 0.47 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.85 2k4h h SER 77 Cb 0.35 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2k4h h SER 77 CO -0.23 0.55 -0.82 0.25 -0.53 0.00 0.00 176.83 176.06 2k4h h LEU 78 N 0.97 0.26 -0.79 2.23 5.85 -1.40 -2.95 115.31 119.47 2k4h h LEU 78 Ca 0.33 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2k4h h LEU 78 Cb 0.07 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2k4h h LEU 78 CO -0.14 0.97 0.23 0.15 -0.34 0.00 0.00 178.44 179.31 2k4h h PHE 79 N 0.12 1.17 0.00 1.25 3.57 -0.21 -0.34 116.94 122.50 2k4h h PHE 79 Ca -0.04 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.26 2k4h h PHE 79 Cb 1.42 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2k4h h PHE 79 CO 0.03 0.92 -0.41 -0.91 -2.23 0.00 0.00 178.31 175.71 2k4h h ASN 80 N 1.08 0.00 0.28 0.41 -0.26 -1.20 -3.13 115.58 112.76 2k4h h ASN 80 Ca 0.24 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.68 2k4h h ASN 80 Cb 0.30 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.59 2k4h h ASN 80 CO -0.01 0.41 -1.29 0.74 -1.06 0.00 0.00 177.43 176.22 2k4h h THR 81 N 0.00 1.33 -0.47 2.81 2.02 -1.25 -3.27 112.91 114.07 2k4h h THR 81 Ca -0.00 -2.64 0.01 0.00 0.77 0.00 0.00 66.41 64.55 2k4h h THR 81 Cb 0.94 2.82 -0.02 0.00 -1.74 0.00 0.00 68.15 70.15 2k4h h THR 81 CO 0.05 0.79 0.31 0.58 0.37 0.00 0.00 175.52 177.62 2k4h h VAL 82 N 0.20 1.11 -0.26 3.16 2.07 -1.03 -1.33 116.25 120.17 2k4h h VAL 82 Ca -0.19 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2k4h h VAL 82 Cb 1.98 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2k4h h VAL 82 CO 0.24 0.11 -0.15 0.00 0.02 0.00 0.00 177.57 177.80 2k4h h VAL 84 N 0.41 1.31 -0.46 0.00 2.07 -1.34 -2.97 116.25 115.26 2k4h h VAL 84 Ca 0.07 -2.16 -0.02 0.00 0.82 0.00 0.00 66.70 65.42 2k4h h VAL 84 Cb 0.50 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2k4h h VAL 84 CO 0.03 0.66 0.22 0.40 0.02 0.00 0.00 177.57 178.90 2k4h h ILE 85 N 0.30 1.18 -0.61 4.57 1.08 -1.16 -2.59 117.51 120.29 2k4h h ILE 85 Ca -0.11 -0.52 0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2k4h h ILE 85 Cb 1.56 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 2k4h h ILE 85 CO 0.18 0.20 0.40 -0.25 -0.69 0.00 0.00 178.15 178.00 2k4h h TRP 86 N 0.60 0.77 0.27 1.37 7.01 -1.41 -3.00 115.95 121.56 2k4h h TRP 86 Ca 0.16 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.18 2k4h h TRP 86 Cb 0.12 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 2k4h h TRP 86 CO -0.01 0.49 -0.35 0.00 -2.79 0.00 0.00 178.44 175.78 2k4h h ILE 88 N -0.67 0.25 0.11 0.00 2.04 -1.33 0.40 117.51 118.31 2k4h h ILE 88 Ca -0.00 -0.05 -0.33 0.00 1.00 0.00 0.00 64.86 65.48 2k4h h ILE 88 Cb 0.63 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2k4h h ILE 88 CO -0.11 0.03 -1.72 0.45 0.00 0.00 0.00 178.15 176.80 2k4h h HIS 89 N 0.14 0.44 0.00 1.37 3.86 -1.19 -3.31 115.15 116.46 2k4h h HIS 89 Ca 0.74 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2k4h h HIS 89 Cb 2.38 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.83 2k4h h HIS 89 CO -0.00 1.48 0.00 0.00 0.86 0.00 0.00 177.93 180.27 2k4h n ALA 90 N -2.77 2.60 -1.27 2.45 0.00 0.11 -4.85 120.51 116.77 2k4h n ALA 90 Ca -0.22 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 2k4h n ALA 90 Cb 1.05 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 2k4h n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 91 N -0.77 -0.90 -2.82 0.00 2.13 0.66 -4.98 120.64 113.96 2k4h n GLU 91 Ca 0.13 0.79 -0.39 0.00 0.66 0.00 0.00 57.16 58.34 2k4h n GLU 91 Cb 0.06 -4.76 -0.06 0.00 0.27 0.00 0.00 31.44 26.94 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4h s GLU 92 N -2.62 4.73 -0.18 5.31 0.41 -0.53 -5.00 118.70 120.82 2k4h s GLU 92 Ca 0.00 1.37 -0.07 0.00 -0.41 0.00 0.00 54.97 55.86 2k4h s GLU 92 Cb 0.00 -3.18 -0.04 0.00 -1.78 0.00 0.00 34.13 29.14 2k4h s GLU 92 CO 0.00 0.48 0.04 -1.59 -0.49 0.00 0.00 175.26 173.70 2k4h s LYS 93 N -1.36 3.91 -0.01 1.61 0.00 -1.26 -4.28 119.74 118.35 2k4h s LYS 93 Ca 0.42 -0.38 0.04 0.00 0.00 0.00 0.00 55.97 56.05 2k4h s LYS 93 Cb -0.24 -3.15 -0.01 0.00 0.00 0.00 0.00 37.83 34.43 2k4h s LYS 93 CO 0.29 0.27 -0.13 0.14 0.00 0.00 0.00 175.35 175.92 2k4h s VAL 94 N 0.36 1.05 -0.09 1.79 -7.23 -1.26 -5.00 120.40 110.02 2k4h s VAL 94 Ca 0.01 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 59.36 2k4h s VAL 94 Cb -0.13 -0.88 -0.29 0.00 0.56 0.00 0.00 36.38 35.65 2k4h s VAL 94 CO 0.01 0.29 0.81 0.50 -0.31 0.00 0.00 175.10 176.39 2k4h h LYS 95 N 5.80 0.16 -4.46 4.82 3.11 -1.96 -3.44 116.57 120.60 2k4h h LYS 95 Ca -0.34 -0.28 -0.19 0.00 -2.81 0.00 0.00 60.65 57.03 2k4h h LYS 95 Cb 1.16 0.10 -0.15 0.00 -1.00 0.00 0.00 32.23 32.35 2k4h h LYS 95 CO 0.49 1.13 -0.66 0.16 -2.81 0.00 0.00 179.45 177.76 2k4h s ASP 96 N -6.66 0.52 0.16 4.20 1.47 -1.26 -2.95 116.67 112.15 2k4h s ASP 96 Ca -0.17 -1.16 -0.27 0.00 1.18 0.00 0.00 52.55 52.14 2k4h s ASP 96 Cb -0.00 0.24 0.01 0.00 -0.34 0.00 0.00 42.92 42.83 2k4h s ASP 96 CO 0.76 -0.67 1.56 0.74 0.68 0.00 0.00 175.17 178.25 2k4h h THR 97 N 2.89 0.07 -0.28 2.11 2.02 -1.25 -1.02 112.91 117.45 2k4h h THR 97 Ca -0.35 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.89 2k4h h THR 97 Cb 1.19 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 2k4h h THR 97 CO 0.61 0.00 -0.32 -0.33 0.37 0.00 0.00 175.52 175.85 2k4h h GLU 98 N -0.25 -0.30 -0.86 6.66 4.39 -1.87 0.11 114.58 122.46 2k4h h GLU 98 Ca 0.16 0.02 0.24 0.00 0.34 0.00 0.00 59.36 60.13 2k4h h GLU 98 Cb 0.56 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 2k4h h GLU 98 CO -0.68 -0.20 0.61 0.78 -1.16 0.00 0.00 179.01 178.36 2k4h h GLY 99 N -0.31 0.13 1.07 -3.84 0.00 -1.64 0.95 103.07 99.42 2k4h h GLY 99 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 2k4h h GLY 99 CO -0.45 -0.00 0.16 0.00 0.00 0.00 0.00 176.54 176.25 2k4h h ALA 100 N 1.58 0.94 0.00 3.60 0.00 0.24 -1.91 119.26 123.70 2k4h h ALA 100 Ca 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k4h h ALA 100 Cb 1.57 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k4h h ALA 100 CO -0.03 0.67 0.00 1.17 0.00 0.00 0.00 179.25 181.06 2k4h n LYS 101 N -4.23 0.18 0.05 0.00 4.81 0.30 -2.45 118.16 116.82 2k4h n LYS 101 Ca 0.05 0.34 -0.22 0.00 -0.87 0.00 0.00 58.31 57.61 2k4h n LYS 101 Cb 0.27 -1.80 -0.14 0.00 0.02 0.00 0.00 35.03 33.37 2k4h n LYS 101 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2k4h h GLN 102 N 0.00 0.33 -0.35 1.64 -0.00 -1.09 -3.02 115.11 112.62 2k4h h GLN 102 Ca 0.00 -0.57 -0.14 0.00 -0.00 0.00 0.00 58.65 57.94 2k4h h GLN 102 Cb 0.43 0.21 -0.01 0.00 0.00 0.00 0.00 27.48 28.11 2k4h h GLN 102 CO 0.00 1.27 -0.34 0.82 0.00 0.00 0.00 178.83 180.58 2k4h h ILE 103 N -0.14 1.28 0.25 2.39 2.04 -1.35 -2.46 117.51 119.53 2k4h h ILE 103 Ca -0.29 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 2k4h h ILE 103 Cb 1.89 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2k4h h ILE 103 CO 0.13 0.49 -0.12 0.58 0.00 0.00 0.00 178.15 179.23 2k4h h VAL 104 N 0.65 0.80 0.00 1.67 2.07 -1.63 -2.81 116.25 117.01 2k4h h VAL 104 Ca 0.07 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2k4h h VAL 104 Cb 0.88 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2k4h h VAL 104 CO 0.08 0.13 0.00 -0.09 0.02 0.00 0.00 177.57 177.71 2k4h h ARG 105 N -0.67 0.00 -0.01 1.57 1.12 -1.57 -0.33 114.38 114.49 2k4h h ARG 105 Ca -0.03 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.69 2k4h h ARG 105 Cb 0.47 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 2k4h h ARG 105 CO 0.06 0.00 -0.70 -0.09 -3.11 0.00 0.00 179.97 176.13 2k4h h ARG 106 N 0.00 0.04 0.01 0.20 2.43 -1.18 -2.74 114.38 113.14 2k4h h ARG 106 Ca 0.00 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 58.90 2k4h h ARG 106 Cb 0.01 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2k4h h ARG 106 CO 0.00 0.72 -1.23 0.45 -1.51 0.00 0.00 179.97 178.40 2k4h h HIS 107 N 0.03 0.02 -0.16 2.20 3.86 -0.96 -3.15 115.15 116.99 2k4h h HIS 107 Ca -0.01 -0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 58.99 2k4h h HIS 107 Cb 1.24 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.72 2k4h h HIS 107 CO 0.00 1.02 -0.66 -0.07 0.86 0.00 0.00 177.93 179.08 2k4h h LEU 108 N 0.00 0.86 -1.26 2.43 3.38 -1.49 -2.86 115.31 116.37 2k4h h LEU 108 Ca -0.10 -0.62 -0.06 0.00 0.09 0.00 0.00 57.88 57.19 2k4h h LEU 108 Cb 1.85 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2k4h h LEU 108 CO 0.12 1.33 -0.19 0.58 0.09 0.00 0.00 178.44 180.37 2k4h h VAL 109 N 0.44 1.21 -0.09 1.22 2.07 -1.61 -1.43 116.25 118.07 2k4h h VAL 109 Ca -0.04 -0.97 -0.14 0.00 0.82 0.00 0.00 66.70 66.37 2k4h h VAL 109 Cb 1.29 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2k4h h VAL 109 CO 0.14 0.30 -0.55 0.00 0.02 0.00 0.00 177.57 177.48 2k4h h ALA 110 N 1.56 0.91 0.00 1.67 0.00 -1.52 -3.06 119.26 118.81 2k4h h ALA 110 Ca 0.05 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 2k4h h ALA 110 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2k4h h ALA 110 CO 0.03 0.69 -0.87 0.93 0.00 0.00 0.00 179.25 180.03 2k4h h GLU 111 N 0.20 0.00 -0.87 0.00 5.08 -1.22 -3.26 114.58 114.50 2k4h h GLU 111 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 2k4h h GLU 111 Cb 1.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 2k4h h GLU 111 CO 0.09 0.87 0.59 1.15 -1.00 0.00 0.00 179.01 180.70 2k4h h THR 112 N 0.00 0.67 -0.11 1.13 2.02 -1.16 0.22 112.91 115.68 2k4h h THR 112 Ca -0.01 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2k4h h THR 112 Cb 1.62 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2k4h h THR 112 CO 0.11 0.06 0.17 1.23 0.37 0.00 0.00 175.52 177.46 2k4h h GLY 113 N 0.33 0.00 -0.94 2.16 0.00 -1.66 -1.31 103.07 101.65 2k4h h GLY 113 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 2k4h h GLY 113 CO -0.14 0.00 -0.41 -0.37 0.00 0.00 0.00 176.54 175.62 2k4h n THR 114 N -3.54 1.56 -0.02 4.70 5.66 0.74 -4.68 114.28 118.69 2k4h n THR 114 Ca -0.00 -2.26 -0.01 0.00 -3.05 0.00 0.00 64.05 58.72 2k4h n THR 114 Cb 0.27 0.01 -0.03 0.00 -1.55 0.00 0.00 70.33 69.02 2k4h n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4h n ALA 115 N -0.88 1.94 -1.29 1.79 0.00 -0.51 -4.63 120.51 116.92 2k4h n ALA 115 Ca 0.14 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 2k4h n ALA 115 Cb 0.74 0.11 0.16 0.00 0.00 0.00 0.00 19.45 20.45 2k4h n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 116 N -2.07 2.32 0.15 0.00 2.13 -1.11 -4.59 120.64 117.46 2k4h n GLU 116 Ca -0.06 -3.11 0.17 0.00 0.66 0.00 0.00 57.16 54.82 2k4h n GLU 116 Cb 0.55 -2.17 0.76 0.00 0.27 0.00 0.00 31.44 30.86 2k4h n GLU 116 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2k4h h LYS 117 N 1.23 0.00 -5.01 5.31 3.64 -1.86 -3.47 116.57 116.41 2k4h h LYS 117 Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 2k4h h LYS 117 Cb 2.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.13 2k4h h LYS 117 CO 1.13 0.00 -0.31 -0.12 -2.27 0.00 0.00 179.45 177.87 2k4h n MET 118 N -4.06 -1.82 -0.89 1.90 0.00 -1.26 -5.02 117.12 105.96 2k4h n MET 118 Ca 0.03 1.77 -0.26 0.00 -0.00 0.00 0.00 57.70 59.25 2k4h n MET 118 Cb 0.38 -5.17 0.22 0.00 0.00 0.00 0.00 33.22 28.64 2k4h n MET 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2k4h n PRO 119 N -0.70 -2.86 -2.72 2.12 -0.04 -1.26 -4.93 135.00 124.61 2k4h n PRO 119 Ca 0.08 -1.50 -0.42 0.00 -0.04 0.00 0.00 63.50 61.62 2k4h n PRO 119 Cb 0.43 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2k4h n PRO 119 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k4h s SER 120 N -4.02 6.49 -0.25 3.54 1.04 -1.26 -4.93 113.70 114.31 2k4h s SER 120 Ca 0.61 -1.55 -0.16 0.00 0.48 0.00 0.00 55.95 55.34 2k4h s SER 120 Cb -0.06 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.64 2k4h s SER 120 CO 0.47 -1.36 0.63 -0.89 0.98 0.00 0.00 173.24 173.06 2k4h s THR 121 N 4.11 -0.00 0.07 2.02 2.01 -1.26 -5.17 115.64 117.41 2k4h s THR 121 Ca 0.38 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.48 2k4h s THR 121 Cb -0.04 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2k4h s THR 121 CO -0.06 0.01 -0.19 -0.94 -0.69 0.00 0.00 174.62 172.75 2k4h s SER 122 N 1.42 3.76 -0.41 3.53 1.04 -1.26 -5.07 113.70 116.71 2k4h s SER 122 Ca -0.09 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 55.95 2k4h s SER 122 Cb -0.06 -0.55 0.31 0.00 0.10 0.00 0.00 66.02 65.82 2k4h s SER 122 CO -0.16 0.23 0.78 0.54 0.98 0.00 0.00 173.24 175.62 2k4h n ARG 123 N 1.33 0.90 -2.07 4.02 5.12 -1.26 -5.09 116.66 119.61 2k4h n ARG 123 Ca -0.16 -2.85 -0.41 0.00 -1.93 0.00 0.00 57.85 52.50 2k4h n ARG 123 Cb 0.52 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 2k4h n ARG 123 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2k4h s PRO 124 N -1.21 3.02 -0.30 5.56 0.04 -1.26 -4.90 135.00 135.95 2k4h s PRO 124 Ca 0.34 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 2k4h s PRO 124 Cb 0.28 -4.27 0.18 0.00 0.04 0.00 0.00 34.50 30.74 2k4h s PRO 124 CO -0.10 -2.25 1.15 -0.08 0.04 0.00 0.00 177.00 175.77 2k4h s THR 125 N 7.76 -0.18 0.10 1.26 -1.32 -1.26 -5.18 115.64 116.83 2k4h s THR 125 Ca 0.71 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.27 2k4h s THR 125 Cb -0.16 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.79 2k4h s THR 125 CO 0.27 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.48 2k4h s ALA 126 N 1.90 1.76 0.93 11.08 0.00 -1.26 -5.15 121.76 131.02 2k4h s ALA 126 Ca -0.03 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 2k4h s ALA 126 Cb -0.03 -0.23 0.15 0.00 0.00 0.00 0.00 23.12 23.01 2k4h s ALA 126 CO -0.15 0.34 1.09 -1.25 0.00 0.00 0.00 175.76 175.79 2k4h s PRO 127 N -1.94 1.02 -0.05 0.00 0.04 -1.26 -5.01 135.00 127.80 2k4h s PRO 127 Ca 0.06 0.73 0.18 0.00 0.04 0.00 0.00 61.00 62.02 2k4h s PRO 127 Cb -0.10 -1.79 0.33 0.00 0.04 0.00 0.00 34.50 32.98 2k4h s PRO 127 CO 0.04 -2.38 1.14 -1.13 0.04 0.00 0.00 177.00 174.71 2k4h n SER 128 N -3.97 0.41 -4.15 6.66 3.41 -1.26 -5.10 113.62 109.62 2k4h n SER 128 Ca 0.06 -2.01 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 2k4h n SER 128 Cb 0.56 -0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 2k4h n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k4h s SER 129 N -1.90 1.68 -0.37 4.04 0.01 -1.26 -5.10 113.70 110.80 2k4h s SER 129 Ca 0.23 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2k4h s SER 129 Cb 0.28 -0.10 0.19 0.00 0.21 0.00 0.00 66.02 66.60 2k4h s SER 129 CO -0.11 0.02 0.87 -0.70 0.41 0.00 0.00 173.24 173.73 2k4h s GLU 130 N -1.24 0.49 0.01 12.44 2.12 -1.26 -5.15 118.70 126.11 2k4h s GLU 130 Ca 0.01 -0.21 -0.26 0.00 0.36 0.00 0.00 54.97 54.87 2k4h s GLU 130 Cb -0.08 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 2k4h s GLU 130 CO 0.01 -0.69 0.81 0.21 -0.54 0.00 0.00 175.26 175.07 2k4h s LYS 131 N 1.78 4.51 0.00 4.30 2.47 -1.26 -5.04 119.74 126.50 2k4h s LYS 131 Ca 0.17 1.13 0.00 0.00 -1.56 0.00 0.00 55.97 55.70 2k4h s LYS 131 Cb 0.01 -3.41 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 2k4h s LYS 131 CO -0.11 0.13 0.00 0.41 0.16 0.00 0.00 175.35 175.94 2k4h n GLY 132 N 2.72 1.54 0.00 5.54 0.00 -1.26 -5.09 105.19 108.64 2k4h n GLY 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k4h n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 133 N 4.41 2.13 2.76 -0.02 0.00 -1.26 -5.12 105.19 108.08 2k4h n GLY 133 Ca 0.00 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 2k4h n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k4h s ASN 134 N -0.83 1.38 0.00 1.61 -0.87 -1.26 -5.28 114.94 109.69 2k4h s ASN 134 Ca 0.00 -0.28 0.28 0.00 -1.57 0.00 0.00 52.86 51.29 2k4h s ASN 134 Cb 0.00 0.43 1.08 0.00 -0.02 0.00 0.00 41.25 42.74 2k4h s ASN 134 CO 0.00 -0.33 1.76 -1.22 -2.57 0.00 0.00 177.10 174.74