#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 4.29 -2.24 4.61 0.00 -1.26 -4.92 120.51 121.00 2k4h n ALA 3 Ca 0.00 -3.60 -0.19 0.00 0.00 0.00 0.00 53.44 49.65 2k4h n ALA 3 Cb 0.00 -3.58 0.13 0.00 0.00 0.00 0.00 19.45 16.00 2k4h n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k4h n ARG 4 N 6.73 -0.48 0.01 0.00 0.63 -1.26 -5.06 116.66 117.23 2k4h n ARG 4 Ca 0.50 -2.11 -0.01 0.00 -0.92 0.00 0.00 57.85 55.31 2k4h n ARG 4 Cb 0.40 -0.83 -0.01 0.00 0.45 0.00 0.00 32.46 32.48 2k4h n ARG 4 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 2k4h h ASN 5 N -0.94 -0.07 -3.93 6.15 -1.24 -2.05 -3.48 115.58 110.02 2k4h h ASN 5 Ca -0.32 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.64 2k4h h ASN 5 Cb 1.04 0.02 -0.21 0.00 0.73 0.00 0.00 38.32 39.90 2k4h h ASN 5 CO 0.29 0.18 0.07 -0.44 -1.29 0.00 0.00 177.43 176.24 2k4h s SER 6 N -4.18 -0.71 -0.22 1.15 0.01 -1.26 -5.06 113.70 103.43 2k4h s SER 6 Ca -0.01 1.36 -0.02 0.00 1.31 0.00 0.00 55.95 58.59 2k4h s SER 6 Cb 0.00 1.37 -0.13 0.00 0.21 0.00 0.00 66.02 67.47 2k4h s SER 6 CO 0.04 -0.23 -0.22 0.52 0.41 0.00 0.00 173.24 173.76 2k4h n VAL 7 N 2.81 1.22 -1.39 3.43 0.31 -1.26 -5.00 118.33 118.44 2k4h n VAL 7 Ca -0.14 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.44 2k4h n VAL 7 Cb 0.56 -1.41 0.09 0.00 -0.91 0.00 0.00 33.84 32.17 2k4h n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2k4h s LEU 8 N -6.52 3.20 0.00 7.52 1.43 -1.26 -5.05 118.68 118.01 2k4h s LEU 8 Ca -0.29 2.08 -0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2k4h s LEU 8 Cb 0.09 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.76 2k4h s LEU 8 CO 0.46 -2.12 0.08 -1.14 0.23 0.00 0.00 176.35 173.86 2k4h n ARG 9 N -3.04 0.44 0.08 1.70 0.63 -1.26 -4.86 116.66 110.35 2k4h n ARG 9 Ca 0.11 -0.18 -0.04 0.00 -0.92 0.00 0.00 57.85 56.81 2k4h n ARG 9 Cb 0.52 -0.06 -0.02 0.00 0.45 0.00 0.00 32.46 33.35 2k4h n ARG 9 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2k4h h GLY 10 N -0.06 -0.30 1.83 5.14 0.00 -1.99 -2.53 103.07 105.16 2k4h h GLY 10 Ca -0.02 0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 2k4h h GLY 10 CO 0.02 -0.11 -0.80 1.70 0.00 0.00 0.00 176.54 177.36 2k4h h LYS 11 N -1.01 0.16 -0.35 4.80 3.11 -2.01 -3.25 116.57 118.01 2k4h h LYS 11 Ca -0.03 -0.15 -0.06 0.00 -2.81 0.00 0.00 60.65 57.60 2k4h h LYS 11 Cb 0.22 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2k4h h LYS 11 CO 0.05 0.87 0.00 0.87 -2.81 0.00 0.00 179.45 178.43 2k4h h LYS 12 N 0.10 0.61 -1.00 1.90 1.79 -1.97 -2.95 116.57 115.05 2k4h h LYS 12 Ca -0.03 -0.19 0.17 0.00 -2.18 0.00 0.00 60.65 58.42 2k4h h LYS 12 Cb 1.39 -0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 31.88 2k4h h LYS 12 CO 0.12 0.73 0.62 0.00 -1.08 0.00 0.00 179.45 179.83 2k4h h ALA 13 N 0.86 1.65 0.58 3.86 0.00 -1.48 -1.53 119.26 123.19 2k4h h ALA 13 Ca 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2k4h h ALA 13 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k4h h ALA 13 CO 0.02 0.01 -0.34 0.22 0.00 0.00 0.00 179.25 179.16 2k4h h ASP 14 N 0.81 -0.85 -0.94 0.00 1.82 -1.58 0.91 116.42 116.59 2k4h h ASP 14 Ca 0.56 0.04 0.25 0.00 -0.39 0.00 0.00 57.03 57.50 2k4h h ASP 14 Cb 0.81 0.24 -0.05 0.00 0.68 0.00 0.00 39.33 41.01 2k4h h ASP 14 CO -0.35 -0.53 0.65 -0.33 -1.61 0.00 0.00 179.24 177.06 2k4h h GLU 15 N -0.85 0.18 -0.07 0.28 4.39 -1.43 0.33 114.58 117.39 2k4h h GLU 15 Ca -0.08 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2k4h h GLU 15 Cb 0.68 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2k4h h GLU 15 CO 0.09 0.12 -0.11 1.25 -1.16 0.00 0.00 179.01 179.19 2k4h h LEU 16 N 0.18 0.22 0.00 1.33 7.12 -0.84 -2.98 115.31 120.34 2k4h h LEU 16 Ca 0.47 -0.54 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2k4h h LEU 16 Cb 1.56 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.63 2k4h h LEU 16 CO -0.10 0.71 0.00 -0.62 -0.13 0.00 0.00 178.44 178.30 2k4h n GLU 17 N -4.65 0.06 0.07 1.25 -0.58 0.28 -2.78 120.64 114.28 2k4h n GLU 17 Ca -0.08 0.10 -0.03 0.00 -0.42 0.00 0.00 57.16 56.74 2k4h n GLU 17 Cb 0.35 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 2k4h n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k4h h ARG 18 N 0.00 0.00 -6.74 3.49 3.08 -0.31 -3.41 114.38 110.49 2k4h h ARG 18 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2k4h h ARG 18 Cb 0.36 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.45 2k4h h ARG 18 CO 0.00 0.63 0.62 0.42 -1.07 0.00 0.00 179.97 180.57 2k4h s ILE 19 N -2.83 3.13 -0.00 2.04 1.01 -1.12 -4.97 121.20 118.47 2k4h s ILE 19 Ca 0.01 1.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.58 2k4h s ILE 19 Cb 0.09 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2k4h s ILE 19 CO 0.79 0.18 0.29 -0.13 0.00 0.00 0.00 174.94 176.07 2k4h s ARG 20 N -0.71 3.63 0.57 2.79 0.52 -1.15 -2.09 118.95 122.51 2k4h s ARG 20 Ca 0.53 0.01 0.27 0.00 -0.52 0.00 0.00 55.73 56.02 2k4h s ARG 20 Cb -0.37 -3.10 1.68 0.00 0.52 0.00 0.00 34.95 33.69 2k4h s ARG 20 CO 0.42 0.66 2.22 -0.07 0.02 0.00 0.00 175.30 178.55 2k4h h LEU 21 N 4.17 0.00 -8.15 2.53 3.38 -0.84 0.14 115.31 116.54 2k4h h LEU 21 Ca -0.51 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.34 2k4h h LEU 21 Cb 1.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 2k4h h LEU 21 CO 0.64 0.01 -0.54 -0.13 0.09 0.00 0.00 178.44 178.51 2k4h s ARG 22 N -4.70 0.82 0.27 1.13 0.52 -1.26 -4.16 118.95 111.57 2k4h s ARG 22 Ca -0.05 -1.20 0.06 0.00 -0.52 0.00 0.00 55.73 54.02 2k4h s ARG 22 Cb 0.15 0.28 0.39 0.00 0.52 0.00 0.00 34.95 36.28 2k4h s ARG 22 CO 0.58 -0.23 1.66 -1.00 0.02 0.00 0.00 175.30 176.32 2k4h h PRO 23 N 2.89 0.26 -0.21 3.54 0.13 -1.93 -3.17 132.00 133.51 2k4h h PRO 23 Ca -0.34 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k4h h PRO 23 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k4h h PRO 23 CO 0.59 0.67 0.00 0.41 -0.23 0.00 0.00 178.00 179.44 2k4h n GLY 24 N -0.05 3.52 1.25 1.56 0.00 -1.26 -5.02 105.19 105.19 2k4h n GLY 24 Ca -0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.26 1.27 0.00 -0.02 0.00 -1.20 -5.05 105.19 99.93 2k4h n GLY 25 Ca 0.14 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.51 0.89 -3.48 1.61 5.02 -1.26 -4.88 118.16 114.54 2k4h n LYS 26 Ca 0.05 -0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 55.18 2k4h n LYS 26 Cb 0.19 -0.66 -0.06 0.00 -0.02 0.00 0.00 35.03 34.48 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 -0.30 4.00 0.04 1.97 1.02 -1.26 -5.01 119.74 120.20 2k4h s LYS 27 Ca 0.00 0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.40 2k4h s LYS 27 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2k4h s LYS 27 CO 0.00 0.57 -0.03 0.15 -0.92 0.00 0.00 175.35 175.12 2k4h s LYS 28 N -0.66 2.57 0.49 1.68 1.02 -1.26 -0.11 119.74 123.47 2k4h s LYS 28 Ca 0.23 -0.76 -0.22 0.00 0.02 0.00 0.00 55.97 55.24 2k4h s LYS 28 Cb -0.16 -2.54 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 2k4h s LYS 28 CO 0.12 0.58 1.06 0.66 -0.92 0.00 0.00 175.35 176.84 2k4h n TYR 29 N 1.13 1.28 -3.99 3.18 4.01 -0.89 -4.85 117.16 117.03 2k4h n TYR 29 Ca -0.14 0.50 -0.09 0.00 -0.16 0.00 0.00 57.90 58.01 2k4h n TYR 29 Cb 0.52 -2.23 -0.05 0.00 -0.31 0.00 0.00 39.34 37.27 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 -2.32 1.59 0.52 -0.72 3.52 -1.26 -4.48 118.95 115.79 2k4h s ARG 30 Ca 0.67 -1.25 0.31 0.00 -0.13 0.00 0.00 55.73 55.33 2k4h s ARG 30 Cb -0.49 0.48 1.44 0.00 -1.56 0.00 0.00 34.95 34.82 2k4h s ARG 30 CO 0.54 -0.67 1.86 -0.07 -0.81 0.00 0.00 175.30 176.14 2k4h h LEU 31 N 2.22 0.07 -0.85 -0.88 3.38 -1.99 0.53 115.31 117.79 2k4h h LEU 31 Ca -0.26 0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.89 2k4h h LEU 31 Cb 1.25 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 2k4h h LEU 31 CO 0.34 0.02 0.42 0.11 0.09 0.00 0.00 178.44 179.42 2k4h h LYS 32 N 0.06 0.54 -0.04 1.13 1.57 -1.98 0.78 116.57 118.64 2k4h h LYS 32 Ca 0.48 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 59.00 2k4h h LYS 32 Cb 1.79 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.98 2k4h h LYS 32 CO -0.04 0.36 -0.89 0.45 -0.57 0.00 0.00 179.45 178.76 2k4h h HIS 33 N 0.56 0.71 -0.49 -1.35 3.86 -1.30 -3.03 115.15 114.10 2k4h h HIS 33 Ca 0.48 -0.36 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 2k4h h HIS 33 Cb 0.74 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 2k4h h HIS 33 CO -0.11 1.17 -0.02 0.82 0.86 0.00 0.00 177.93 180.65 2k4h h ILE 34 N 0.30 1.25 -0.54 2.45 2.04 -1.08 -2.07 117.51 119.85 2k4h h ILE 34 Ca -0.07 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 2k4h h ILE 34 Cb 1.51 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2k4h h ILE 34 CO 0.16 0.37 0.04 0.58 0.00 0.00 0.00 178.15 179.30 2k4h h VAL 35 N 0.77 1.25 -0.11 1.67 2.07 -0.94 -1.85 116.25 119.11 2k4h h VAL 35 Ca 0.15 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.52 2k4h h VAL 35 Cb 0.49 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2k4h h VAL 35 CO 0.02 0.37 -0.52 -0.25 0.02 0.00 0.00 177.57 177.21 2k4h h TRP 36 N 0.84 0.38 0.41 1.57 7.01 -1.37 -1.17 115.95 123.62 2k4h h TRP 36 Ca 0.16 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2k4h h TRP 36 Cb 0.45 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2k4h h TRP 36 CO 0.03 0.76 -0.20 0.00 -2.79 0.00 0.00 178.44 176.24 2k4h h ALA 37 N 1.22 -0.55 -0.84 2.65 0.00 -1.06 -1.11 119.26 119.55 2k4h h ALA 37 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k4h h ALA 37 Cb 0.99 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2k4h h ALA 37 CO 0.08 -0.60 0.47 0.00 0.00 0.00 0.00 179.25 179.21 2k4h h ALA 38 N -0.68 1.24 -0.57 0.00 0.00 -1.41 -1.22 119.26 116.63 2k4h h ALA 38 Ca -0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2k4h h ALA 38 Cb 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k4h h ALA 38 CO 0.09 0.62 0.05 -0.97 0.00 0.00 0.00 179.25 179.05 2k4h h ASN 39 N 1.18 0.89 0.02 0.00 -1.24 -1.25 -2.52 115.58 112.66 2k4h h ASN 39 Ca 0.30 -0.21 -0.14 0.00 0.71 0.00 0.00 56.30 56.95 2k4h h ASN 39 Cb 0.01 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 2k4h h ASN 39 CO -0.05 0.92 -0.47 0.11 -1.29 0.00 0.00 177.43 176.66 2k4h h LYS 40 N 0.87 0.53 0.73 6.67 1.79 -0.70 -2.71 116.57 123.74 2k4h h LYS 40 Ca 0.17 -0.29 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 2k4h h LYS 40 Cb 0.44 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2k4h h LYS 40 CO 0.02 0.88 -0.35 -0.07 -1.08 0.00 0.00 179.45 178.85 2k4h h LEU 41 N 0.42 -0.83 -0.74 2.94 3.38 -0.96 0.22 115.31 119.75 2k4h h LEU 41 Ca 0.02 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.17 2k4h h LEU 41 Cb 0.98 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 2k4h h LEU 41 CO 0.09 -0.56 0.24 0.44 0.09 0.00 0.00 178.44 178.73 2k4h h ASP 42 N -1.04 0.14 0.52 -0.43 5.19 -0.77 0.40 116.42 120.43 2k4h h ASP 42 Ca -0.10 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2k4h h ASP 42 Cb 0.75 0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.41 2k4h h ASP 42 CO 0.16 0.03 -0.25 -0.09 -3.12 0.00 0.00 179.24 175.97 2k4h h ARG 43 N 0.35 -0.68 -1.12 3.56 2.43 -1.41 -3.01 114.38 114.51 2k4h h ARG 43 Ca 0.41 0.05 0.31 0.00 -0.81 0.00 0.00 59.98 59.94 2k4h h ARG 43 Cb 0.67 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 2k4h h ARG 43 CO -0.45 -0.45 0.74 0.74 -1.51 0.00 0.00 179.97 179.04 2k4h h PHE 44 N -0.81 0.45 0.00 2.20 0.04 -0.26 -3.44 116.94 115.12 2k4h h PHE 44 Ca -0.07 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2k4h h PHE 44 Cb 0.54 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.56 2k4h h PHE 44 CO 0.07 0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.20 2k4h n GLY 45 N -1.57 1.25 3.81 -1.45 0.00 0.46 -5.08 105.19 102.61 2k4h n GLY 45 Ca 0.27 0.00 -0.30 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 2.80 0.32 0.99 1.43 0.11 -4.84 118.68 119.50 2k4h s LEU 46 Ca 0.00 1.45 0.08 0.00 -1.03 0.00 0.00 54.13 54.63 2k4h s LEU 46 Cb 0.00 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 2k4h s LEU 46 CO 0.00 -1.80 0.22 0.00 0.23 0.00 0.00 176.35 175.00 2k4h s ALA 47 N -3.09 3.68 -2.00 4.21 0.00 -1.26 -1.30 121.76 121.99 2k4h s ALA 47 Ca 0.60 -1.66 0.26 0.00 0.00 0.00 0.00 51.96 51.15 2k4h s ALA 47 Cb -0.14 -1.06 1.56 0.00 0.00 0.00 0.00 23.12 23.48 2k4h s ALA 47 CO 0.55 0.06 1.98 -0.85 0.00 0.00 0.00 175.76 177.50 2k4h n GLU 48 N -1.26 0.95 0.28 0.00 0.28 -1.26 -3.64 120.64 115.99 2k4h n GLU 48 Ca -0.03 0.00 0.17 0.00 -0.16 0.00 0.00 57.16 57.14 2k4h n GLU 48 Cb 0.60 -1.43 0.93 0.00 1.43 0.00 0.00 31.44 32.97 2k4h n GLU 48 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k4h h SER 49 N 0.00 0.00 -0.96 -1.84 0.87 -2.00 0.11 113.55 109.74 2k4h h SER 49 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 2k4h h SER 49 Cb 0.00 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 61.66 2k4h h SER 49 CO 0.00 0.00 0.63 0.18 -0.53 0.00 0.00 176.83 177.11 2k4h n LEU 50 N -2.75 6.70 0.00 2.23 4.77 -1.24 -4.23 117.00 122.48 2k4h n LEU 50 Ca -0.02 -3.72 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 2k4h n LEU 50 Cb 0.13 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2k4h n LEU 50 CO 0.15 1.13 -0.44 0.18 -1.33 0.00 0.00 177.39 177.08 2k4h n LEU 51 N -1.11 0.85 -1.84 2.23 4.77 0.03 -3.30 117.00 118.63 2k4h n LEU 51 Ca 0.59 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.59 2k4h n LEU 51 Cb 1.49 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 42.94 2k4h n LEU 51 CO 0.61 0.14 0.92 -1.84 -1.33 0.00 0.00 177.39 175.89 2k4h n GLU 52 N -2.01 4.30 -3.67 3.23 0.28 -1.25 -4.86 120.64 116.66 2k4h n GLU 52 Ca 0.00 -3.12 -0.11 0.00 -0.16 0.00 0.00 57.16 53.77 2k4h n GLU 52 Cb 0.44 -2.21 -0.11 0.00 1.43 0.00 0.00 31.44 30.99 2k4h n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4h s SER 53 N -1.00 -0.08 0.17 -1.84 1.04 -1.26 -5.04 113.70 105.69 2k4h s SER 53 Ca 0.54 0.81 -0.14 0.00 0.48 0.00 0.00 55.95 57.64 2k4h s SER 53 Cb 0.42 0.98 0.12 0.00 0.10 0.00 0.00 66.02 67.64 2k4h s SER 53 CO 0.14 -0.22 1.78 0.50 0.98 0.00 0.00 173.24 176.42 2k4h h LYS 54 N 8.00 0.44 0.00 4.02 3.64 -1.90 -0.57 116.57 130.21 2k4h h LYS 54 Ca -0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2k4h h LYS 54 Cb 1.12 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2k4h h LYS 54 CO 0.17 0.29 -0.12 1.49 -2.27 0.00 0.00 179.45 179.01 2k4h h GLU 55 N 0.45 0.00 0.06 1.90 4.81 -1.96 -2.78 114.58 117.06 2k4h h GLU 55 Ca 0.21 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.22 2k4h h GLU 55 Cb 0.13 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.53 2k4h h GLU 55 CO -0.15 0.12 -0.87 0.78 -0.73 0.00 0.00 179.01 178.15 2k4h h GLY 56 N 0.57 0.55 1.51 1.92 0.00 -1.47 -3.22 103.07 102.93 2k4h h GLY 56 Ca -0.00 -1.07 0.05 0.00 0.00 0.00 0.00 47.33 46.30 2k4h h GLY 56 CO 0.02 0.95 0.20 0.00 0.00 0.00 0.00 176.54 177.70 2k4h h GLN 58 N 0.00 0.00 0.00 0.00 4.15 -1.55 -2.76 115.11 114.95 2k4h h GLN 58 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2k4h h GLN 58 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2k4h h GLN 58 CO -0.00 0.00 0.00 0.87 -1.93 0.00 0.00 178.83 177.77 2k4h h LYS 59 N 0.00 0.00 0.07 1.69 1.57 -0.49 -3.07 116.57 116.34 2k4h h LYS 59 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2k4h h LYS 59 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2k4h h LYS 59 CO 0.00 0.00 -1.35 0.82 -0.57 0.00 0.00 179.45 178.35 2k4h h ILE 60 N 0.00 0.97 -0.09 1.86 2.04 -1.54 -3.35 117.51 117.40 2k4h h ILE 60 Ca 0.00 -2.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.54 2k4h h ILE 60 Cb 0.77 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 2k4h h ILE 60 CO 0.00 0.58 -0.01 -0.07 0.00 0.00 0.00 178.15 178.65 2k4h h LEU 61 N -0.55 0.11 -1.61 1.44 3.38 -1.62 0.17 115.31 116.63 2k4h h LEU 61 Ca -0.32 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2k4h h LEU 61 Cb 1.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2k4h h LEU 61 CO -0.04 0.15 -0.21 0.00 0.09 0.00 0.00 178.44 178.43 2k4h h THR 62 N 0.13 0.98 0.05 0.22 1.03 -1.68 0.27 112.91 113.91 2k4h h THR 62 Ca 0.03 -0.78 -0.37 0.00 -0.01 0.00 0.00 66.41 65.28 2k4h h THR 62 Cb 0.12 1.44 -0.05 0.00 -1.07 0.00 0.00 68.15 68.59 2k4h h THR 62 CO 0.00 0.21 -2.21 0.52 -0.01 0.00 0.00 175.52 174.04 2k4h n VAL 63 N -4.03 1.60 0.09 0.00 0.31 -0.53 -4.32 118.33 111.46 2k4h n VAL 63 Ca -0.02 -0.66 -0.04 0.00 -0.01 0.00 0.00 64.34 63.60 2k4h n VAL 63 Cb 0.29 -1.38 0.14 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.25 0.16 7.52 3.38 -0.63 -2.98 115.31 123.02 2k4h h LEU 64 Ca -0.49 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.35 2k4h h LEU 64 Cb 2.00 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.64 2k4h h LEU 64 CO 0.01 0.78 -0.46 -0.78 0.09 0.00 0.00 178.44 178.08 2k4h h ASP 65 N 0.17 -1.37 0.43 -0.43 3.58 -0.64 -0.59 116.42 117.56 2k4h h ASP 65 Ca -0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2k4h h ASP 65 Cb 1.08 0.50 0.00 0.00 1.72 0.00 0.00 39.33 42.62 2k4h h ASP 65 CO 0.09 -0.50 0.00 -0.81 -2.88 0.00 0.00 179.24 175.14 2k4h n PRO 66 N -5.09 0.06 0.07 0.28 -0.04 -1.24 -2.04 135.00 127.00 2k4h n PRO 66 Ca -0.08 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2k4h n PRO 66 Cb 0.37 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.42 2k4h n PRO 66 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2k4h h MET 67 N 0.00 0.00 0.60 0.54 4.05 -1.00 -3.35 114.93 115.78 2k4h h MET 67 Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2k4h h MET 67 Cb 0.21 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2k4h h MET 67 CO 0.00 0.00 -0.29 0.28 0.23 0.00 0.00 176.91 177.13 2k4h h VAL 68 N 0.00 0.15 0.00 -5.77 2.07 -0.60 0.27 116.25 112.37 2k4h h VAL 68 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2k4h h VAL 68 Cb 0.82 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 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 -5.33 0.48 -2.71 1.57 -0.04 -1.26 -3.07 135.00 124.65 2k4h n PRO 69 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 2k4h n PRO 69 Cb 0.34 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.98 0.55 -3.64 0.52 -2.24 -1.14 -5.13 114.28 102.22 2k4h n THR 70 Ca 0.11 -2.16 -0.06 0.00 -2.27 0.00 0.00 64.05 59.68 2k4h n THR 70 Cb 0.05 0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.61 2.17 3.99 3.38 0.00 0.93 -4.81 105.19 110.24 2k4h n GLY 71 Ca -0.00 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 2k4h n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4h s SER 72 N -2.04 4.22 0.23 1.61 1.04 -1.26 -4.94 113.70 112.56 2k4h s SER 72 Ca 0.12 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.29 2k4h s SER 72 Cb -0.01 -0.01 0.20 0.00 0.10 0.00 0.00 66.02 66.30 2k4h s SER 72 CO 0.08 -1.95 1.52 -0.08 0.98 0.00 0.00 173.24 173.79 2k4h h GLU 73 N -0.63 0.06 -0.10 4.02 4.57 -1.97 -3.04 114.58 117.50 2k4h h GLU 73 Ca -0.37 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 57.79 2k4h h GLU 73 Cb 1.26 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2k4h h GLU 73 CO 0.40 0.75 0.19 -0.91 -1.18 0.00 0.00 179.01 178.25 2k4h h ASN 74 N 0.04 0.00 0.19 1.04 4.21 -2.02 -1.06 115.58 117.99 2k4h h ASN 74 Ca -0.01 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.14 2k4h h ASN 74 Cb 1.26 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.46 2k4h h ASN 74 CO 0.10 0.00 -1.84 0.25 -1.29 0.00 0.00 177.43 174.65 2k4h h LEU 75 N 0.00 0.50 -1.09 1.61 6.46 -1.93 -3.36 115.31 117.51 2k4h h LEU 75 Ca 0.05 -0.89 0.14 0.00 -0.12 0.00 0.00 57.88 57.05 2k4h h LEU 75 Cb 0.42 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.11 2k4h h LEU 75 CO -0.00 1.77 0.61 0.11 -0.62 0.00 0.00 178.44 180.31 2k4h h LYS 76 N 0.09 0.85 -0.76 1.25 1.57 -1.22 0.89 116.57 119.24 2k4h h LYS 76 Ca -0.37 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2k4h h LYS 76 Cb 2.07 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 34.15 2k4h h LYS 76 CO 0.14 0.57 0.48 1.03 -0.57 0.00 0.00 179.45 181.09 2k4h h SER 77 N 0.88 0.90 0.03 0.86 0.87 -1.63 -2.07 113.55 113.38 2k4h h SER 77 Ca 0.50 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.81 2k4h h SER 77 Cb 0.61 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k4h h SER 77 CO -0.26 0.68 -0.71 0.25 -0.53 0.00 0.00 176.83 176.25 2k4h h LEU 78 N 1.04 0.72 -0.52 2.23 5.85 -1.29 -2.74 115.31 120.60 2k4h h LEU 78 Ca 0.28 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2k4h h LEU 78 Cb -0.07 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 2k4h h LEU 78 CO -0.06 1.21 0.25 0.15 -0.34 0.00 0.00 178.44 179.66 2k4h h PHE 79 N 0.43 0.46 -0.05 1.25 3.57 -0.52 0.12 116.94 122.21 2k4h h PHE 79 Ca -0.03 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2k4h h PHE 79 Cb 1.30 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2k4h h PHE 79 CO 0.06 0.22 -0.47 -0.91 -2.23 0.00 0.00 178.31 174.98 2k4h h ASN 80 N 0.49 0.13 -0.24 0.41 4.21 -1.40 -3.04 115.58 116.14 2k4h h ASN 80 Ca 0.23 -0.06 -0.18 0.00 1.21 0.00 0.00 56.30 57.50 2k4h h ASN 80 Cb 0.15 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2k4h h ASN 80 CO -0.17 0.58 -0.54 0.74 -1.29 0.00 0.00 177.43 176.74 2k4h h THR 81 N 0.10 1.28 -0.32 2.81 2.02 -0.98 -3.08 112.91 114.74 2k4h h THR 81 Ca 0.00 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.44 2k4h h THR 81 Cb 0.86 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 2k4h h THR 81 CO 0.07 0.56 0.17 0.58 0.37 0.00 0.00 175.52 177.26 2k4h h VAL 82 N 0.64 1.11 -0.55 3.16 2.07 -0.69 -1.86 116.25 120.13 2k4h h VAL 82 Ca 0.01 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2k4h h VAL 82 Cb 1.14 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2k4h h VAL 82 CO 0.12 0.12 0.08 0.00 0.02 0.00 0.00 177.57 177.91 2k4h h VAL 84 N 0.83 1.31 -0.44 0.00 2.07 -1.37 -2.66 116.25 116.00 2k4h h VAL 84 Ca 0.17 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 2k4h h VAL 84 Cb 0.38 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2k4h h VAL 84 CO 0.01 0.53 0.23 0.40 0.02 0.00 0.00 177.57 178.75 2k4h h ILE 85 N 0.41 1.17 -0.48 4.57 1.08 -1.23 -2.42 117.51 120.60 2k4h h ILE 85 Ca 0.00 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2k4h h ILE 85 Cb 1.06 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 2k4h h ILE 85 CO 0.10 0.18 0.30 -0.25 -0.69 0.00 0.00 178.15 177.79 2k4h h TRP 86 N 0.57 0.63 0.20 1.37 7.01 -1.32 -3.02 115.95 121.39 2k4h h TRP 86 Ca 0.15 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.17 2k4h h TRP 86 Cb 0.08 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 2k4h h TRP 86 CO -0.02 0.42 -0.33 0.00 -2.79 0.00 0.00 178.44 175.73 2k4h h ILE 88 N -0.61 0.32 0.13 0.00 2.04 -1.32 0.28 117.51 118.34 2k4h h ILE 88 Ca 0.01 -0.06 -0.33 0.00 1.00 0.00 0.00 64.86 65.48 2k4h h ILE 88 Cb 0.60 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2k4h h ILE 88 CO -0.14 0.03 -1.72 0.45 0.00 0.00 0.00 178.15 176.77 2k4h h HIS 89 N 0.17 0.50 0.00 1.37 3.86 -1.15 -3.30 115.15 116.60 2k4h h HIS 89 Ca 0.70 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2k4h h HIS 89 Cb 2.22 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.67 2k4h h HIS 89 CO -0.00 1.52 0.00 0.00 0.86 0.00 0.00 177.93 180.31 2k4h n ALA 90 N -2.79 2.54 -1.25 2.45 0.00 0.11 -4.84 120.51 116.74 2k4h n ALA 90 Ca -0.22 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 2k4h n ALA 90 Cb 1.06 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.85 -2.78 0.00 4.07 0.47 -4.98 120.64 115.80 2k4h n GLU 91 Ca 0.12 0.74 -0.40 0.00 -0.06 0.00 0.00 57.16 57.57 2k4h n GLU 91 Cb 0.06 -4.67 -0.06 0.00 -0.06 0.00 0.00 31.44 26.70 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2k4h s GLU 92 N -2.49 4.80 -0.20 5.31 0.41 -0.39 -5.00 118.70 121.13 2k4h s GLU 92 Ca 0.00 1.43 -0.07 0.00 -0.41 0.00 0.00 54.97 55.92 2k4h s GLU 92 Cb 0.00 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 2k4h s GLU 92 CO 0.00 0.51 0.06 0.15 -0.49 0.00 0.00 175.26 175.49 2k4h s LYS 93 N -1.25 3.87 0.05 1.61 1.02 -1.26 -4.27 119.74 119.50 2k4h s LYS 93 Ca 0.41 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 56.07 2k4h s LYS 93 Cb -0.25 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2k4h s LYS 93 CO 0.31 0.14 -0.17 0.14 -0.92 0.00 0.00 175.35 174.84 2k4h s VAL 94 N 0.73 1.40 -0.16 3.17 -7.23 -1.26 -5.00 120.40 112.04 2k4h s VAL 94 Ca 0.03 -1.13 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 2k4h s VAL 94 Cb -0.13 -1.24 -0.23 0.00 0.56 0.00 0.00 36.38 35.34 2k4h s VAL 94 CO 0.02 0.09 0.26 0.29 -0.31 0.00 0.00 175.10 175.45 2k4h n LYS 95 N 1.82 0.68 -4.14 4.82 5.02 -1.26 -4.71 118.16 120.39 2k4h n LYS 95 Ca -0.18 0.38 -0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2k4h n LYS 95 Cb 0.54 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 2k4h n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2k4h s ASP 96 N -6.98 0.97 0.17 4.39 1.47 -1.26 -2.93 116.67 112.50 2k4h s ASP 96 Ca -0.26 -0.92 -0.25 0.00 1.18 0.00 0.00 52.55 52.30 2k4h s ASP 96 Cb 0.07 0.10 0.05 0.00 -0.34 0.00 0.00 42.92 42.80 2k4h s ASP 96 CO 0.69 -0.45 1.57 0.74 0.68 0.00 0.00 175.17 178.40 2k4h h THR 97 N 3.27 0.09 -0.24 2.11 2.02 -1.12 -0.76 112.91 118.29 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 1.17 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 2k4h h THR 97 CO 0.61 0.00 -0.27 -0.33 0.37 0.00 0.00 175.52 175.90 2k4h h GLU 98 N -0.21 -0.27 -0.83 6.66 5.08 -1.86 0.06 114.58 123.20 2k4h h GLU 98 Ca 0.19 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.78 2k4h h GLU 98 Cb 0.56 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 2k4h h GLU 98 CO -0.70 -0.18 0.57 0.78 -1.00 0.00 0.00 179.01 178.48 2k4h h GLY 99 N -0.28 0.44 1.06 -3.84 0.00 -1.60 0.35 103.07 99.20 2k4h h GLY 99 Ca 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 2k4h h GLY 99 CO -0.40 0.00 0.23 0.00 0.00 0.00 0.00 176.54 176.37 2k4h h ALA 100 N 1.61 0.97 0.00 3.60 0.00 0.18 -1.80 119.26 123.83 2k4h h ALA 100 Ca 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k4h h ALA 100 Cb 1.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k4h h ALA 100 CO -0.09 0.66 0.00 1.17 0.00 0.00 0.00 179.25 180.99 2k4h n LYS 101 N -4.26 0.18 0.08 0.00 0.00 0.08 -2.57 118.16 111.68 2k4h n LYS 101 Ca 0.06 0.35 -0.23 0.00 0.00 0.00 0.00 58.31 58.49 2k4h n LYS 101 Cb 0.23 -1.81 -0.15 0.00 0.00 0.00 0.00 35.03 33.30 2k4h n LYS 101 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2k4h h GLN 102 N 0.00 0.41 -0.26 1.64 -0.00 -1.01 -3.06 115.11 112.84 2k4h h GLN 102 Ca 0.00 -0.71 -0.14 0.00 -0.00 0.00 0.00 58.65 57.80 2k4h h GLN 102 Cb 0.43 0.26 -0.01 0.00 0.00 0.00 0.00 27.48 28.16 2k4h h GLN 102 CO 0.00 1.34 -0.42 0.82 0.00 0.00 0.00 178.83 180.57 2k4h h ILE 103 N 0.02 1.30 0.31 2.39 2.04 -1.34 -2.57 117.51 119.66 2k4h h ILE 103 Ca -0.30 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 63.94 2k4h h ILE 103 Cb 2.04 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2k4h h ILE 103 CO 0.19 0.51 -0.15 0.58 0.00 0.00 0.00 178.15 179.28 2k4h h VAL 104 N 0.51 0.70 0.00 1.67 2.07 -1.63 -2.78 116.25 116.79 2k4h h VAL 104 Ca 0.04 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2k4h h VAL 104 Cb 0.95 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2k4h h VAL 104 CO 0.09 0.10 0.00 -0.09 0.02 0.00 0.00 177.57 177.69 2k4h h ARG 105 N -0.73 0.00 -0.19 1.57 9.65 -1.58 -1.28 114.38 121.83 2k4h h ARG 105 Ca -0.04 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.64 2k4h h ARG 105 Cb 0.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2k4h h ARG 105 CO 0.07 0.00 -0.66 -0.09 2.80 0.00 0.00 179.97 182.09 2k4h h ARG 106 N 0.00 0.70 0.00 0.20 1.12 -1.18 -2.30 114.38 112.91 2k4h h ARG 106 Ca 0.00 -0.50 -0.08 0.00 -1.11 0.00 0.00 59.98 58.29 2k4h h ARG 106 Cb 0.00 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 2k4h h ARG 106 CO 0.00 1.13 -0.36 0.45 -3.11 0.00 0.00 179.97 178.07 2k4h h HIS 107 N 0.51 0.00 0.04 2.20 3.86 -1.09 -2.91 115.15 117.76 2k4h h HIS 107 Ca -0.02 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 2k4h h HIS 107 Cb 1.25 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.73 2k4h h HIS 107 CO 0.07 0.36 -0.26 -0.07 0.86 0.00 0.00 177.93 178.89 2k4h h LEU 108 N 0.00 0.14 -1.97 2.43 3.38 -1.46 -3.26 115.31 114.57 2k4h h LEU 108 Ca -0.00 -0.98 -0.01 0.00 0.09 0.00 0.00 57.88 56.98 2k4h h LEU 108 Cb 1.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2k4h h LEU 108 CO 0.05 1.12 -0.04 0.58 0.09 0.00 0.00 178.44 180.24 2k4h h VAL 109 N -0.81 0.97 0.00 1.22 2.07 -1.51 -0.88 116.25 117.31 2k4h h VAL 109 Ca -0.05 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2k4h h VAL 109 Cb 1.20 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2k4h h VAL 109 CO 0.04 0.04 -0.27 0.00 0.02 0.00 0.00 177.57 177.41 2k4h h ALA 110 N 1.96 1.14 -0.85 1.67 0.00 -1.60 -3.04 119.26 118.54 2k4h h ALA 110 Ca -0.00 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.08 2k4h h ALA 110 Cb 0.08 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.43 2k4h h ALA 110 CO 0.01 0.34 -0.39 0.39 0.00 0.00 0.00 179.25 179.59 2k4h n GLU 111 N -3.61 3.38 -0.08 0.00 -0.58 -0.35 -4.61 120.64 114.79 2k4h n GLU 111 Ca -0.01 -3.97 -0.10 0.00 -0.42 0.00 0.00 57.16 52.66 2k4h n GLU 111 Cb 0.40 -2.28 -0.09 0.00 -0.57 0.00 0.00 31.44 28.90 2k4h n GLU 111 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2k4h n THR 112 N -0.75 0.97 0.28 2.62 -1.04 -1.10 -4.47 114.28 110.79 2k4h n THR 112 Ca 0.48 -0.46 0.18 0.00 -2.04 0.00 0.00 64.05 62.22 2k4h n THR 112 Cb 0.87 -0.93 0.95 0.00 -1.82 0.00 0.00 70.33 69.40 2k4h n THR 112 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2k4h h GLY 113 N 1.86 0.00 -3.41 3.41 0.00 -1.82 0.25 103.07 103.36 2k4h h GLY 113 Ca -0.38 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.58 2k4h h GLY 113 CO -0.03 0.00 0.39 -0.37 0.00 0.00 0.00 176.54 176.53 2k4h n THR 114 N -3.46 2.98 -2.68 4.70 5.66 -1.26 -4.34 114.28 115.87 2k4h n THR 114 Ca -0.01 -2.06 0.00 0.00 -3.05 0.00 0.00 64.05 58.94 2k4h n THR 114 Cb 0.23 -0.41 0.05 0.00 -1.55 0.00 0.00 70.33 68.65 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 -0.93 2.66 -2.55 1.79 0.00 0.08 -4.91 120.51 116.65 2k4h n ALA 115 Ca 0.49 -2.25 -0.16 0.00 0.00 0.00 0.00 53.44 51.52 2k4h n ALA 115 Cb 1.45 -0.80 0.02 0.00 0.00 0.00 0.00 19.45 20.12 2k4h n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4h n GLU 116 N -0.47 2.32 -0.83 0.00 -0.58 -1.25 -4.78 120.64 115.05 2k4h n GLU 116 Ca 0.01 -3.84 0.05 0.00 -0.42 0.00 0.00 57.16 52.95 2k4h n GLU 116 Cb 0.88 -1.77 0.10 0.00 -0.57 0.00 0.00 31.44 30.09 2k4h n GLU 116 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2k4h n LYS 117 N -0.35 0.76 -3.03 3.49 2.85 -1.26 -5.02 118.16 115.60 2k4h n LYS 117 Ca 0.24 -2.42 -0.03 0.00 -1.05 0.00 0.00 58.31 55.04 2k4h n LYS 117 Cb 0.78 -0.87 0.00 0.00 -0.65 0.00 0.00 35.03 34.29 2k4h n LYS 117 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2k4h n MET 118 N -0.44 -1.61 0.07 -1.58 2.81 -1.26 -4.93 117.12 110.18 2k4h n MET 118 Ca 0.11 1.65 -0.04 0.00 -1.81 0.00 0.00 57.70 57.61 2k4h n MET 118 Cb 0.85 -5.62 0.18 0.00 -0.71 0.00 0.00 33.22 27.92 2k4h n MET 118 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2k4h h PRO 119 N 0.86 0.30 -4.87 0.03 0.13 -1.95 -3.45 132.00 123.05 2k4h h PRO 119 Ca -0.02 -0.16 -0.30 0.00 -0.87 0.00 0.00 66.00 64.65 2k4h h PRO 119 Cb 1.02 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.00 2k4h h PRO 119 CO 0.27 0.70 -0.67 -1.54 -0.23 0.00 0.00 178.00 176.53 2k4h s SER 120 N -6.88 1.39 -0.28 1.44 1.04 -1.26 -5.16 113.70 103.99 2k4h s SER 120 Ca -0.05 -1.14 -0.17 0.00 0.48 0.00 0.00 55.95 55.07 2k4h s SER 120 Cb 0.13 0.08 0.11 0.00 0.10 0.00 0.00 66.02 66.43 2k4h s SER 120 CO 0.79 -0.51 0.82 0.28 0.98 0.00 0.00 173.24 175.59 2k4h s THR 121 N -3.57 0.00 0.70 2.02 -1.32 -1.26 -5.17 115.64 107.04 2k4h s THR 121 Ca 0.22 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.60 2k4h s THR 121 Cb 0.05 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 2k4h s THR 121 CO 0.03 0.00 1.06 -0.44 -2.21 0.00 0.00 174.62 173.06 2k4h s SER 122 N 1.40 5.36 0.14 8.08 0.01 -1.26 -5.06 113.70 122.37 2k4h s SER 122 Ca -0.09 1.59 0.01 0.00 1.31 0.00 0.00 55.95 58.77 2k4h s SER 122 Cb -0.04 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2k4h s SER 122 CO -0.16 -1.45 0.29 -0.13 0.41 0.00 0.00 173.24 172.20 2k4h s ARG 123 N -5.06 3.46 -0.24 12.44 0.52 -1.26 -5.05 118.95 123.77 2k4h s ARG 123 Ca 0.58 -0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 55.01 2k4h s ARG 123 Cb -0.14 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 2k4h s ARG 123 CO 0.55 0.51 1.62 -1.25 0.02 0.00 0.00 175.30 176.76 2k4h s PRO 124 N -3.06 3.75 -0.05 3.54 0.04 -1.26 -5.00 135.00 132.95 2k4h s PRO 124 Ca 0.36 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2k4h s PRO 124 Cb -0.12 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2k4h s PRO 124 CO 0.28 -1.35 -0.16 0.99 0.04 0.00 0.00 177.00 176.80 2k4h s THR 125 N 5.36 1.38 0.10 1.26 2.01 -1.26 -5.14 115.64 119.34 2k4h s THR 125 Ca 0.72 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2k4h s THR 125 Cb -0.24 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2k4h s THR 125 CO 0.30 0.40 -0.15 0.00 -0.69 0.00 0.00 174.62 174.48 2k4h s ALA 126 N 0.23 1.43 1.25 7.40 0.00 -1.26 -5.16 121.76 125.66 2k4h s ALA 126 Ca -0.08 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.49 2k4h s ALA 126 Cb -0.13 -0.11 0.31 0.00 0.00 0.00 0.00 23.12 23.19 2k4h s ALA 126 CO 0.03 0.16 1.10 -0.35 0.00 0.00 0.00 175.76 176.70 2k4h n PRO 127 N 0.88 -3.17 -0.67 0.00 -0.04 -1.26 -5.00 135.00 125.74 2k4h n PRO 127 Ca -0.18 -1.75 -0.31 0.00 -0.04 0.00 0.00 63.50 61.21 2k4h n PRO 127 Cb 0.55 -1.65 0.17 0.00 -0.04 0.00 0.00 33.50 32.54 2k4h n PRO 127 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k4h n SER 128 N -4.89 -1.04 -2.85 3.54 3.41 -1.26 -5.04 113.62 105.49 2k4h n SER 128 Ca 0.15 0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.88 2k4h n SER 128 Cb 0.59 -1.30 0.01 0.00 -0.26 0.00 0.00 64.21 63.25 2k4h n SER 128 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k4h n SER 129 N -3.29 -1.99 -4.22 4.04 2.88 -1.26 -5.18 113.62 104.61 2k4h n SER 129 Ca 0.08 -2.70 -0.30 0.00 -1.33 0.00 0.00 58.87 54.62 2k4h n SER 129 Cb 0.54 3.40 0.18 0.00 -0.75 0.00 0.00 64.21 67.58 2k4h n SER 129 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2k4h s GLU 130 N -2.33 0.58 0.21 -1.46 0.41 -1.26 -5.10 118.70 109.75 2k4h s GLU 130 Ca 0.20 -0.26 0.02 0.00 -0.41 0.00 0.00 54.97 54.53 2k4h s GLU 130 Cb -0.04 -1.82 -0.05 0.00 -1.78 0.00 0.00 34.13 30.44 2k4h s GLU 130 CO 0.15 -2.48 0.03 -1.59 -0.49 0.00 0.00 175.26 170.88 2k4h s LYS 131 N -5.75 1.24 0.00 1.61 -2.85 -1.26 -5.11 119.74 107.62 2k4h s LYS 131 Ca 0.71 -1.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 2k4h s LYS 131 Cb -0.06 -0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.37 2k4h s LYS 131 CO 0.53 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 176.22 2k4h n GLY 132 N -0.34 -0.20 3.67 0.59 0.00 -1.26 -5.19 105.19 102.46 2k4h n GLY 132 Ca -0.04 0.46 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 2k4h n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4h s GLY 133 N -0.00 0.35 -0.29 -0.02 0.00 -1.26 -5.17 107.32 100.93 2k4h s GLY 133 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 2k4h s GLY 133 CO 0.00 -0.47 0.97 0.21 0.00 0.00 0.00 173.10 173.81 2k4h s ASN 134 N -2.99 -0.53 0.00 1.64 2.47 -1.26 -5.32 114.94 108.95 2k4h s ASN 134 Ca 0.19 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.30 2k4h s ASN 134 Cb -0.02 1.30 0.00 0.00 -1.45 0.00 0.00 41.25 41.07 2k4h s ASN 134 CO 0.08 -0.13 0.00 0.00 -3.72 0.00 0.00 177.10 173.34