#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 1.24 0.11 4.61 0.00 -1.26 -4.14 120.51 121.07 2k4i n ALA 3 Ca 0.00 -0.85 0.19 0.00 0.00 0.00 0.00 53.44 52.78 2k4i n ALA 3 Cb 0.00 -0.53 0.75 0.00 0.00 0.00 0.00 19.45 19.67 2k4i n ALA 3 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2k4i h ARG 4 N 0.03 0.00 -5.75 0.00 2.43 -2.09 -3.40 114.38 105.60 2k4i h ARG 4 Ca -0.44 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.08 2k4i h ARG 4 Cb 2.03 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.52 2k4i h ARG 4 CO 0.04 0.00 -0.40 -0.80 -1.51 0.00 0.00 179.97 177.30 2k4i s ASN 5 N -5.84 6.50 -0.74 -3.80 0.01 -1.26 -5.05 114.94 104.76 2k4i s ASN 5 Ca -0.05 0.60 -0.14 0.00 -0.71 0.00 0.00 52.86 52.56 2k4i s ASN 5 Cb 0.17 -2.12 0.19 0.00 0.41 0.00 0.00 41.25 39.90 2k4i s ASN 5 CO 0.61 0.38 0.69 -0.55 -1.51 0.00 0.00 177.10 176.72 2k4i s SER 6 N -1.07 6.59 0.20 -1.22 0.15 -1.26 -4.80 113.70 112.28 2k4i s SER 6 Ca 0.18 -2.44 -0.03 0.00 0.70 0.00 0.00 55.95 54.35 2k4i s SER 6 Cb -0.13 -2.21 0.14 0.00 -1.71 0.00 0.00 66.02 62.11 2k4i s SER 6 CO 0.07 -0.65 1.54 0.58 1.20 0.00 0.00 173.24 175.98 2k4i h VAL 7 N 5.10 1.30 -3.19 4.45 2.07 -1.94 -3.49 116.25 120.55 2k4i h VAL 7 Ca -0.01 -1.66 0.39 0.00 0.82 0.00 0.00 66.70 66.24 2k4i h VAL 7 Cb 1.06 1.62 -0.10 0.00 -1.52 0.00 0.00 31.29 32.35 2k4i h VAL 7 CO 0.83 0.52 -0.52 0.18 0.02 0.00 0.00 177.57 178.60 2k4i n LEU 8 N -4.00 -0.71 0.00 2.57 4.77 -1.26 -4.97 117.00 113.40 2k4i n LEU 8 Ca -0.02 1.55 0.00 0.00 -0.03 0.00 0.00 56.01 57.51 2k4i n LEU 8 Cb 0.56 -4.34 0.00 0.00 -2.33 0.00 0.00 43.42 37.31 2k4i n LEU 8 CO 0.46 -3.87 0.00 0.54 -1.33 0.00 0.00 177.39 173.19 2k4i n ARG 9 N -4.22 0.00 0.00 3.23 5.12 -1.26 -4.98 116.66 114.55 2k4i n ARG 9 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2k4i n ARG 9 Cb 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 2k4i n ARG 9 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k4i n GLY 10 N 0.00 -1.86 0.11 -0.13 0.00 -1.26 -4.88 105.19 97.17 2k4i n GLY 10 Ca 0.00 0.48 0.12 0.00 0.00 0.00 0.00 46.02 46.62 2k4i n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4i h LYS 11 N 0.00 0.00 0.08 1.61 1.63 -2.01 -3.34 116.57 114.54 2k4i h LYS 11 Ca 0.00 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 2k4i h LYS 11 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2k4i h LYS 11 CO 0.00 0.00 -1.93 1.17 -3.45 0.00 0.00 179.45 175.24 2k4i n LYS 12 N -2.43 0.71 -0.26 1.90 4.81 -1.26 -4.15 118.16 117.48 2k4i n LYS 12 Ca 0.03 0.26 0.08 0.00 -0.87 0.00 0.00 58.31 57.81 2k4i n LYS 12 Cb 0.48 -1.72 0.32 0.00 0.02 0.00 0.00 35.03 34.12 2k4i n LYS 12 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4i h ALA 13 N 0.40 1.68 0.00 3.14 0.00 -1.90 0.27 119.26 122.85 2k4i h ALA 13 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k4i h ALA 13 Cb 2.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2k4i h ALA 13 CO 0.08 0.14 0.00 -0.44 0.00 0.00 0.00 179.25 179.03 2k4i h ASP 14 N 0.83 0.00 0.00 0.00 3.32 -1.72 0.36 116.42 119.21 2k4i h ASP 14 Ca 0.40 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.19 2k4i h ASP 14 Cb 0.43 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 2k4i h ASP 14 CO -0.16 0.00 -1.97 -0.62 -1.72 0.00 0.00 179.24 174.77 2k4i n GLU 15 N -2.36 1.22 0.01 3.56 1.02 0.67 -4.30 120.64 120.46 2k4i n GLU 15 Ca -0.01 0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 57.00 2k4i n GLU 15 Cb 0.10 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 2k4i n GLU 15 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k4i h LEU 16 N 0.00 0.39 -0.25 -4.62 7.12 -0.32 -3.19 115.31 114.45 2k4i h LEU 16 Ca -0.38 -0.85 0.00 0.00 0.13 0.00 0.00 57.88 56.77 2k4i h LEU 16 Cb 1.75 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.76 2k4i h LEU 16 CO -0.01 1.20 0.00 1.21 -0.13 0.00 0.00 178.44 180.71 2k4i n GLU 17 N -4.29 0.04 0.06 1.25 2.13 0.12 -1.63 120.64 118.33 2k4i n GLU 17 Ca -0.11 0.40 -0.06 0.00 0.66 0.00 0.00 57.16 58.05 2k4i n GLU 17 Cb 0.67 -1.60 -0.10 0.00 0.27 0.00 0.00 31.44 30.68 2k4i n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4i h ARG 18 N 0.00 0.00 -6.52 5.31 2.47 -1.72 -3.43 114.38 110.50 2k4i h ARG 18 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 2k4i h ARG 18 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2k4i h ARG 18 CO 0.00 0.82 0.41 0.42 0.56 0.00 0.00 179.97 182.18 2k4i s ILE 19 N -2.74 4.45 0.07 2.04 1.01 -0.64 -4.78 121.20 120.60 2k4i s ILE 19 Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 60.65 62.58 2k4i s ILE 19 Cb 0.09 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2k4i s ILE 19 CO 0.81 0.24 0.17 -0.13 0.00 0.00 0.00 174.94 176.03 2k4i s ARG 20 N 0.39 3.28 0.62 2.79 3.00 -0.86 -1.28 118.95 126.89 2k4i s ARG 20 Ca 0.50 -0.51 0.38 0.00 0.00 0.00 0.00 55.73 56.10 2k4i s ARG 20 Cb -0.24 -2.95 2.03 0.00 0.00 0.00 0.00 34.95 33.79 2k4i s ARG 20 CO 0.30 0.60 2.26 -0.07 0.00 0.00 0.00 175.30 178.39 2k4i h LEU 21 N 3.14 0.00 -7.01 2.53 3.38 -0.95 0.56 115.31 116.96 2k4i h LEU 21 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 2k4i h LEU 21 Cb 1.16 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.74 2k4i h LEU 21 CO 0.73 0.02 0.18 -0.13 0.09 0.00 0.00 178.44 179.33 2k4i s ARG 22 N -4.20 1.11 0.07 1.13 0.52 -1.26 -4.28 118.95 112.04 2k4i s ARG 22 Ca -0.04 0.06 -0.31 0.00 -0.52 0.00 0.00 55.73 54.92 2k4i s ARG 22 Cb 0.13 0.52 -0.07 0.00 0.52 0.00 0.00 34.95 36.05 2k4i s ARG 22 CO 0.48 -0.39 1.40 -1.25 0.02 0.00 0.00 175.30 175.56 2k4i s PRO 23 N -1.86 4.31 0.00 3.54 0.04 -1.26 -2.50 135.00 137.26 2k4i s PRO 23 Ca -0.08 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2k4i s PRO 23 Cb -0.00 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2k4i s PRO 23 CO 0.04 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2k4i n GLY 24 N 3.55 1.43 0.00 0.56 0.00 -1.26 -4.99 105.19 104.48 2k4i n GLY 24 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2k4i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 25 N -2.00 -1.71 2.66 -0.02 0.00 -1.04 -5.03 105.19 98.05 2k4i n GLY 25 Ca 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 2k4i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4i n LYS 26 N -0.60 1.67 -3.69 1.61 5.02 -1.26 -5.01 118.16 115.90 2k4i n LYS 26 Ca 0.00 -3.50 -0.15 0.00 -2.02 0.00 0.00 58.31 52.63 2k4i n LYS 26 Cb 0.00 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4i s LYS 27 N -3.38 0.07 -0.06 1.97 1.02 -1.26 -5.09 119.74 113.02 2k4i s LYS 27 Ca 0.30 0.53 -0.01 0.00 0.02 0.00 0.00 55.97 56.82 2k4i s LYS 27 Cb 0.41 -0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.47 2k4i s LYS 27 CO -0.01 -0.26 0.02 0.15 -0.92 0.00 0.00 175.35 174.33 2k4i s LYS 28 N 1.98 2.97 0.54 1.68 1.02 -1.26 -0.25 119.74 126.42 2k4i s LYS 28 Ca -0.01 -0.45 -0.21 0.00 0.02 0.00 0.00 55.97 55.32 2k4i s LYS 28 Cb -0.12 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.34 2k4i s LYS 28 CO -0.06 0.68 1.24 0.66 -0.92 0.00 0.00 175.35 176.95 2k4i n TYR 29 N 1.81 1.88 -3.91 3.18 4.01 -0.41 -4.85 117.16 118.88 2k4i n TYR 29 Ca -0.17 0.45 -0.09 0.00 -0.16 0.00 0.00 57.90 57.93 2k4i n TYR 29 Cb 0.53 -2.30 -0.06 0.00 -0.31 0.00 0.00 39.34 37.20 2k4i n TYR 29 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k4i s ARG 30 N -2.75 1.34 0.51 -0.72 0.52 -1.26 -4.28 118.95 112.32 2k4i s ARG 30 Ca 0.71 -1.11 0.34 0.00 -0.52 0.00 0.00 55.73 55.15 2k4i s ARG 30 Cb -0.44 0.45 1.48 0.00 0.52 0.00 0.00 34.95 36.96 2k4i s ARG 30 CO 0.50 -0.54 1.76 1.25 0.02 0.00 0.00 175.30 178.29 2k4i h LEU 31 N 2.35 0.10 -1.57 2.53 5.85 -1.99 0.32 115.31 122.91 2k4i h LEU 31 Ca -0.29 0.03 0.27 0.00 0.84 0.00 0.00 57.88 58.73 2k4i h LEU 31 Cb 1.24 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 2k4i h LEU 31 CO 0.41 0.00 0.70 0.50 -0.34 0.00 0.00 178.44 179.71 2k4i h LYS 32 N 0.08 0.27 0.09 1.25 3.11 -1.99 0.65 116.57 120.02 2k4i h LYS 32 Ca 0.63 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 58.23 2k4i h LYS 32 Cb 2.30 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 33.46 2k4i h LYS 32 CO -0.09 0.18 -1.10 0.45 -2.81 0.00 0.00 179.45 176.08 2k4i h HIS 33 N 0.28 0.33 -0.60 1.91 3.86 -0.77 -2.90 115.15 117.27 2k4i h HIS 33 Ca 0.56 -0.24 0.08 0.00 -1.16 0.00 0.00 60.37 59.60 2k4i h HIS 33 Cb 1.64 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 30.06 2k4i h HIS 33 CO -0.00 1.43 0.40 0.82 0.86 0.00 0.00 177.93 181.43 2k4i h ILE 34 N -0.51 0.96 0.04 2.45 5.03 -1.23 0.28 117.51 124.52 2k4i h ILE 34 Ca -0.24 -0.18 -0.26 0.00 -0.12 0.00 0.00 64.86 64.06 2k4i h ILE 34 Cb 1.57 0.40 0.02 0.00 -3.03 0.00 0.00 36.82 35.77 2k4i h ILE 34 CO 0.03 0.09 -1.07 0.58 -0.68 0.00 0.00 178.15 177.10 2k4i h VAL 35 N 0.51 1.34 -0.32 1.67 2.07 -1.05 -3.10 116.25 117.37 2k4i h VAL 35 Ca 0.27 -2.44 -0.18 0.00 0.82 0.00 0.00 66.70 65.17 2k4i h VAL 35 Cb 0.38 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2k4i h VAL 35 CO -0.08 0.74 -0.50 -0.25 0.02 0.00 0.00 177.57 177.50 2k4i h TRP 36 N 0.28 1.12 -0.24 1.57 7.01 -1.09 -2.11 115.95 122.49 2k4i h TRP 36 Ca -0.13 -0.38 0.03 0.00 2.11 0.00 0.00 58.89 60.52 2k4i h TRP 36 Cb 1.73 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 28.54 2k4i h TRP 36 CO 0.09 1.22 0.07 0.00 -2.79 0.00 0.00 178.44 177.02 2k4i h ALA 37 N 0.71 0.26 -0.30 2.65 0.00 -0.55 0.30 119.26 122.32 2k4i h ALA 37 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2k4i h ALA 37 Cb 1.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k4i h ALA 37 CO 0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 179.25 178.79 2k4i h ALA 38 N 1.16 1.04 -0.14 0.00 0.00 -1.55 -1.07 119.26 118.70 2k4i h ALA 38 Ca 0.10 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2k4i h ALA 38 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k4i h ALA 38 CO -0.12 0.58 -0.51 -0.97 0.00 0.00 0.00 179.25 178.23 2k4i h ASN 39 N 0.51 0.41 0.32 0.00 -1.24 -0.85 -2.82 115.58 111.91 2k4i h ASN 39 Ca 0.08 -0.21 -0.22 0.00 0.71 0.00 0.00 56.30 56.66 2k4i h ASN 39 Cb 0.67 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.61 2k4i h ASN 39 CO 0.05 0.85 -0.93 0.50 -1.29 0.00 0.00 177.43 176.61 2k4i h LYS 40 N 0.29 0.42 0.76 6.67 1.63 -0.20 -3.08 116.57 123.06 2k4i h LYS 40 Ca 0.01 -0.44 -0.04 0.00 -0.85 0.00 0.00 60.65 59.33 2k4i h LYS 40 Cb 1.00 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2k4i h LYS 40 CO 0.09 1.10 -0.36 -0.07 -3.45 0.00 0.00 179.45 176.75 2k4i h LEU 41 N 0.24 -0.86 -1.33 5.20 3.38 -1.13 -0.10 115.31 120.71 2k4i h LEU 41 Ca -0.08 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.17 2k4i h LEU 41 Cb 1.56 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 42.44 2k4i h LEU 41 CO 0.16 -0.59 0.65 0.44 0.09 0.00 0.00 178.44 179.19 2k4i h ASP 42 N -1.07 0.49 0.27 -0.43 5.19 -0.67 0.17 116.42 120.38 2k4i h ASP 42 Ca -0.10 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2k4i h ASP 42 Cb 0.78 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 2k4i h ASP 42 CO 0.17 0.13 -0.13 -0.09 -3.12 0.00 0.00 179.24 176.20 2k4i h ARG 43 N 0.45 -0.35 -1.02 3.56 9.65 -1.41 -3.22 114.38 122.05 2k4i h ARG 43 Ca 0.57 0.02 0.25 0.00 -1.10 0.00 0.00 59.98 59.72 2k4i h ARG 43 Cb 1.35 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 29.90 2k4i h ARG 43 CO -0.29 -0.23 0.63 0.74 2.80 0.00 0.00 179.97 183.62 2k4i h PHE 44 N -0.50 0.83 0.00 2.20 0.04 -0.61 -3.45 116.94 115.46 2k4i h PHE 44 Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k4i h PHE 44 Cb 0.28 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2k4i h PHE 44 CO 0.09 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.30 2k4i n GLY 45 N -1.40 1.02 3.79 -1.45 0.00 0.31 -5.10 105.19 102.35 2k4i n GLY 45 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 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 3.47 0.31 0.99 1.43 0.31 -4.82 118.68 120.37 2k4i s LEU 46 Ca 0.00 1.91 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 2k4i s LEU 46 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2k4i s LEU 46 CO 0.00 -1.36 0.23 0.00 0.23 0.00 0.00 176.35 175.46 2k4i s ALA 47 N -2.37 3.70 -2.00 4.21 0.00 -1.26 -0.72 121.76 123.31 2k4i s ALA 47 Ca 0.65 -1.60 0.28 0.00 0.00 0.00 0.00 51.96 51.29 2k4i s ALA 47 Cb -0.18 -1.15 1.66 0.00 0.00 0.00 0.00 23.12 23.45 2k4i s ALA 47 CO 0.38 0.09 2.06 -0.85 0.00 0.00 0.00 175.76 177.45 2k4i n GLU 48 N -1.27 0.99 0.23 0.00 0.28 -1.26 -3.66 120.64 115.95 2k4i n GLU 48 Ca -0.04 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.11 2k4i n GLU 48 Cb 0.59 -1.44 0.79 0.00 1.43 0.00 0.00 31.44 32.81 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 -0.46 -1.84 4.64 -2.00 0.24 113.55 114.13 2k4i h SER 49 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k4i h SER 49 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k4i h SER 49 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2k4i n LEU 50 N -2.54 4.82 -0.08 5.97 4.77 -1.24 -4.36 117.00 124.34 2k4i n LEU 50 Ca -0.02 -2.87 -0.10 0.00 -0.03 0.00 0.00 56.01 52.99 2k4i n LEU 50 Cb 0.09 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 2k4i n LEU 50 CO 0.13 0.67 -1.02 0.18 -1.33 0.00 0.00 177.39 176.02 2k4i n LEU 51 N 0.24 1.94 -1.74 2.23 4.77 0.85 -2.32 117.00 122.98 2k4i n LEU 51 Ca 0.24 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2k4i n LEU 51 Cb 1.02 -0.28 0.27 0.00 -2.33 0.00 0.00 43.42 42.11 2k4i n LEU 51 CO 0.24 0.63 0.87 -1.84 -1.33 0.00 0.00 177.39 175.96 2k4i n GLU 52 N -2.83 3.53 -3.50 3.23 0.28 -1.23 -4.78 120.64 115.34 2k4i n GLU 52 Ca -0.27 -2.52 -0.16 0.00 -0.16 0.00 0.00 57.16 54.05 2k4i n GLU 52 Cb 0.86 -2.07 -0.12 0.00 1.43 0.00 0.00 31.44 31.54 2k4i n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4i s SER 53 N -0.69 1.06 0.47 -1.84 0.15 -1.26 -3.84 113.70 107.75 2k4i s SER 53 Ca 0.45 -0.04 0.19 0.00 0.70 0.00 0.00 55.95 57.25 2k4i s SER 53 Cb 0.35 0.53 1.18 0.00 -1.71 0.00 0.00 66.02 66.37 2k4i s SER 53 CO 0.12 -0.31 1.96 0.07 1.20 0.00 0.00 173.24 176.27 2k4i h LYS 54 N 8.29 0.25 0.00 5.44 2.10 -1.88 0.29 116.57 131.06 2k4i h LYS 54 Ca -0.17 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.39 2k4i h LYS 54 Cb 1.15 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 2k4i h LYS 54 CO 0.26 0.16 -0.36 0.93 -2.00 0.00 0.00 179.45 178.44 2k4i h GLU 55 N 0.26 0.00 0.20 0.07 5.08 -1.95 -3.29 114.58 114.95 2k4i h GLU 55 Ca 0.31 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.35 2k4i h GLU 55 Cb 0.87 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.14 2k4i h GLU 55 CO -0.07 0.36 -1.48 0.78 -1.00 0.00 0.00 179.01 177.61 2k4i h GLY 56 N 3.32 0.48 1.41 -3.84 0.00 -0.78 -3.28 103.07 100.37 2k4i h GLY 56 Ca -0.00 -1.22 0.06 0.00 0.00 0.00 0.00 47.33 46.16 2k4i h GLY 56 CO 0.05 1.07 0.24 0.00 0.00 0.00 0.00 176.54 177.90 2k4i h GLN 58 N 0.00 0.00 0.00 0.00 4.20 -1.67 -2.41 115.11 115.23 2k4i h GLN 58 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2k4i h GLN 58 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2k4i h GLN 58 CO -0.00 0.00 -0.07 1.63 -0.67 0.00 0.00 178.83 179.73 2k4i n LYS 59 N -3.10 0.21 -0.09 1.46 5.02 0.10 -3.24 118.16 118.54 2k4i n LYS 59 Ca 0.01 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 2k4i n LYS 59 Cb 0.33 -1.73 -0.08 0.00 -0.02 0.00 0.00 35.03 33.53 2k4i n LYS 59 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k4i h ILE 60 N 0.00 0.71 -0.38 -0.18 2.04 -1.48 -3.34 117.51 114.88 2k4i h ILE 60 Ca 0.00 -1.77 0.11 0.00 1.00 0.00 0.00 64.86 64.20 2k4i h ILE 60 Cb 0.69 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2k4i h ILE 60 CO 0.00 0.24 0.27 -0.07 0.00 0.00 0.00 178.15 178.59 2k4i h LEU 61 N -1.00 0.02 -1.58 1.44 3.38 -1.66 0.21 115.31 116.12 2k4i h LEU 61 Ca -0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2k4i h LEU 61 Cb 0.92 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2k4i h LEU 61 CO -0.10 0.01 -0.15 0.00 0.09 0.00 0.00 178.44 178.28 2k4i h THR 62 N 0.02 0.50 0.06 0.22 1.03 -1.70 0.15 112.91 113.19 2k4i h THR 62 Ca 0.18 -0.77 -0.35 0.00 -0.01 0.00 0.00 66.41 65.46 2k4i h THR 62 Cb 0.70 1.53 -0.04 0.00 -1.07 0.00 0.00 68.15 69.27 2k4i h THR 62 CO -0.01 0.15 -1.99 0.52 -0.01 0.00 0.00 175.52 174.19 2k4i n VAL 63 N -3.47 1.64 0.25 0.00 0.31 0.59 -4.22 118.33 113.43 2k4i n VAL 63 Ca -0.01 -0.46 0.14 0.00 -0.01 0.00 0.00 64.34 64.00 2k4i n VAL 63 Cb 0.32 -1.76 0.50 0.00 -0.91 0.00 0.00 33.84 31.99 2k4i n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k4i h LEU 64 N -0.32 0.00 0.30 7.52 3.38 -1.11 -3.27 115.31 121.80 2k4i h LEU 64 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k4i h LEU 64 Cb 1.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.52 2k4i h LEU 64 CO -0.08 0.07 -0.40 0.44 0.09 0.00 0.00 178.44 178.56 2k4i h ASP 65 N 0.00 -1.14 0.13 -0.43 3.32 -0.86 0.38 116.42 117.83 2k4i h ASP 65 Ca -0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2k4i h ASP 65 Cb 0.70 0.39 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2k4i h ASP 65 CO 0.01 -0.49 0.00 -0.81 -1.72 0.00 0.00 179.24 176.22 2k4i n PRO 66 N -4.81 0.36 -0.00 3.56 -0.04 -1.24 -1.85 135.00 130.98 2k4i n PRO 66 Ca -0.09 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 2k4i n PRO 66 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 2k4i n PRO 66 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2k4i n MET 67 N -1.13 2.41 0.16 0.54 2.81 -0.52 -4.39 117.12 116.99 2k4i n MET 67 Ca 0.10 -0.01 -0.15 0.00 -1.81 0.00 0.00 57.70 55.82 2k4i n MET 67 Cb 0.08 -1.15 -0.08 0.00 -0.71 0.00 0.00 33.22 31.36 2k4i n MET 67 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2k4i h VAL 68 N 0.00 0.13 -0.13 2.03 2.07 0.47 0.28 116.25 121.10 2k4i h VAL 68 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2k4i h VAL 68 Cb 0.34 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2k4i h VAL 68 CO 0.00 0.00 -0.13 1.55 0.02 0.00 0.00 177.57 179.01 2k4i h PRO 69 N -0.74 0.31 -0.98 1.57 0.13 -1.82 -3.09 132.00 127.39 2k4i h PRO 69 Ca -0.00 -0.17 -0.12 0.00 -0.87 0.00 0.00 66.00 64.84 2k4i h PRO 69 Cb 0.72 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.79 2k4i h PRO 69 CO -0.19 0.71 0.16 2.41 -0.23 0.00 0.00 178.00 180.85 2k4i n THR 70 N -4.59 1.48 -4.27 1.56 -1.04 -1.18 -4.86 114.28 101.38 2k4i n THR 70 Ca -0.06 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.05 61.29 2k4i n THR 70 Cb 0.35 -0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 68.06 2k4i n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4i n GLY 71 N 0.05 3.76 1.03 3.41 0.00 0.97 -4.93 105.19 109.48 2k4i n GLY 71 Ca 0.16 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.62 2.11 -0.19 1.61 3.41 -1.26 -4.95 113.62 112.73 2k4i n SER 72 Ca -0.05 -1.59 -0.07 0.00 -0.26 0.00 0.00 58.87 56.90 2k4i n SER 72 Cb 0.29 0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 2k4i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4i h GLU 73 N 0.00 0.74 0.00 4.33 3.07 -1.98 0.17 114.58 120.91 2k4i h GLU 73 Ca -0.11 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2k4i h GLU 73 Cb 0.36 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2k4i h GLU 73 CO 0.18 0.51 0.00 -2.95 -1.40 0.00 0.00 179.01 175.36 2k4i h ASN 74 N 0.74 0.00 0.04 1.42 7.08 -2.00 0.43 115.58 123.29 2k4i h ASN 74 Ca 0.20 0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 53.04 2k4i h ASN 74 Cb -0.05 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.14 2k4i h ASN 74 CO -0.04 0.00 -2.24 -0.11 -2.08 0.00 0.00 177.43 172.96 2k4i n LEU 75 N -2.92 2.63 -0.02 6.14 0.00 -0.44 -4.17 117.00 118.22 2k4i n LEU 75 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 56.01 56.05 2k4i n LEU 75 Cb 0.07 -0.97 0.25 0.00 0.00 0.00 0.00 43.42 42.77 2k4i n LEU 75 CO 0.18 0.80 0.89 0.50 0.00 0.00 0.00 177.39 179.76 2k4i h LYS 76 N -0.21 0.57 0.25 1.96 3.64 -0.19 -2.78 116.57 119.81 2k4i h LYS 76 Ca -0.53 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 2k4i h LYS 76 Cb 1.85 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.58 2k4i h LYS 76 CO -0.10 0.63 -0.24 0.77 -2.27 0.00 0.00 179.45 178.24 2k4i h SER 77 N 0.54 -0.63 -0.59 4.20 0.02 -1.13 -2.11 113.55 113.85 2k4i h SER 77 Ca 0.11 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2k4i h SER 77 Cb 0.42 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2k4i h SER 77 CO 0.02 -0.35 0.39 0.25 -1.14 0.00 0.00 176.83 176.00 2k4i h LEU 78 N -0.52 0.56 0.20 5.07 5.85 -1.70 -1.41 115.31 123.36 2k4i h LEU 78 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k4i h LEU 78 Cb 0.47 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2k4i h LEU 78 CO -0.04 0.38 -0.17 0.15 -0.34 0.00 0.00 178.44 178.41 2k4i h PHE 79 N 0.64 -0.46 0.00 1.25 3.57 -1.12 0.26 116.94 121.08 2k4i h PHE 79 Ca 0.24 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2k4i h PHE 79 Cb 0.16 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2k4i h PHE 79 CO -0.00 -0.27 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.69 2k4i h ASN 80 N -0.39 0.00 0.37 0.41 2.35 -0.99 -1.71 115.58 115.61 2k4i h ASN 80 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 2k4i h ASN 80 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2k4i h ASN 80 CO -0.03 0.21 -0.96 0.74 -1.65 0.00 0.00 177.43 175.74 2k4i h THR 81 N 0.00 1.41 0.00 2.81 2.02 -0.57 -3.22 112.91 115.36 2k4i h THR 81 Ca -0.00 -2.50 -0.12 0.00 0.77 0.00 0.00 66.41 64.56 2k4i h THR 81 Cb 0.51 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 2k4i h THR 81 CO 0.03 0.74 -0.58 0.58 0.37 0.00 0.00 175.52 176.67 2k4i h VAL 82 N 0.21 1.06 0.00 3.16 2.07 -0.18 -2.95 116.25 119.62 2k4i h VAL 82 Ca -0.08 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2k4i h VAL 82 Cb 1.60 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 2k4i h VAL 82 CO 0.16 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.32 2k4i n VAL 84 N -0.98 0.79 0.14 0.00 0.31 -1.15 -4.02 118.33 113.42 2k4i n VAL 84 Ca 0.22 -0.31 0.03 0.00 -0.01 0.00 0.00 64.34 64.27 2k4i n VAL 84 Cb 0.10 -0.98 0.42 0.00 -0.91 0.00 0.00 33.84 32.47 2k4i n VAL 84 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2k4i h ILE 85 N 0.00 1.16 -0.53 2.52 1.08 -1.56 -2.51 117.51 117.67 2k4i h ILE 85 Ca -0.31 -0.69 -0.10 0.00 -0.39 0.00 0.00 64.86 63.37 2k4i h ILE 85 Cb 1.49 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 2k4i h ILE 85 CO -0.05 0.21 -0.08 -0.25 -0.69 0.00 0.00 178.15 177.30 2k4i h TRP 86 N 0.20 1.06 0.00 1.37 7.01 -1.79 -2.36 115.95 121.44 2k4i h TRP 86 Ca 0.04 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 60.84 2k4i h TRP 86 Cb 0.32 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2k4i h TRP 86 CO 0.00 0.98 0.00 0.00 -2.79 0.00 0.00 178.44 176.64 2k4i h ILE 88 N 0.00 1.39 0.00 0.00 2.04 -1.32 0.41 117.51 120.03 2k4i h ILE 88 Ca 0.00 -2.91 -0.21 0.00 1.00 0.00 0.00 64.86 62.75 2k4i h ILE 88 Cb 0.32 2.97 -0.04 0.00 -0.74 0.00 0.00 36.82 39.34 2k4i h ILE 88 CO 0.00 0.86 -1.47 0.45 0.00 0.00 0.00 178.15 177.99 2k4i h HIS 89 N 0.10 0.00 -0.03 1.37 3.86 -1.27 -3.32 115.15 115.86 2k4i h HIS 89 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2k4i h HIS 89 Cb 2.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.53 2k4i h HIS 89 CO 0.09 0.72 0.00 0.00 0.86 0.00 0.00 177.93 179.60 2k4i n ALA 90 N -2.44 2.58 -1.66 2.45 0.00 0.76 -4.27 120.51 117.94 2k4i n ALA 90 Ca -0.11 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 2k4i n ALA 90 Cb 0.90 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 2k4i n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 91 N -0.55 -1.01 -3.33 0.00 2.13 -1.22 -4.99 120.64 111.67 2k4i n GLU 91 Ca 0.13 0.89 -0.38 0.00 0.66 0.00 0.00 57.16 58.47 2k4i n GLU 91 Cb 0.11 -5.04 -0.06 0.00 0.27 0.00 0.00 31.44 26.72 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4i s GLU 92 N -3.62 4.11 -0.12 5.31 0.41 0.13 -5.04 118.70 119.88 2k4i s GLU 92 Ca 0.00 0.63 -0.01 0.00 -0.41 0.00 0.00 54.97 55.19 2k4i s GLU 92 Cb 0.00 -3.18 -0.02 0.00 -1.78 0.00 0.00 34.13 29.15 2k4i s GLU 92 CO 0.00 0.62 -0.09 0.21 -0.49 0.00 0.00 175.26 175.51 2k4i s LYS 93 N -1.26 3.25 0.34 1.61 2.20 -1.26 -4.40 119.74 120.22 2k4i s LYS 93 Ca 0.30 -0.60 0.06 0.00 -0.36 0.00 0.00 55.97 55.36 2k4i s LYS 93 Cb -0.18 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 2k4i s LYS 93 CO 0.18 0.37 0.23 0.14 -0.36 0.00 0.00 175.35 175.90 2k4i s VAL 94 N -0.02 0.16 -0.02 4.02 -7.23 -1.26 -4.99 120.40 111.06 2k4i s VAL 94 Ca -0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2k4i s VAL 94 Cb -0.14 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2k4i s VAL 94 CO 0.03 0.00 0.01 0.29 -0.31 0.00 0.00 175.10 175.12 2k4i n LYS 95 N -0.68 3.67 -3.00 4.82 4.01 -1.26 -4.67 118.16 121.06 2k4i n LYS 95 Ca 0.03 -0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.74 2k4i n LYS 95 Cb 0.63 -1.05 -0.03 0.00 -0.51 0.00 0.00 35.03 34.08 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2k4i n ASP 96 N -2.06 -0.49 -0.03 4.39 5.75 -1.26 -2.04 116.55 120.81 2k4i n ASP 96 Ca -0.03 -2.05 -0.14 0.00 -0.01 0.00 0.00 54.79 52.57 2k4i n ASP 96 Cb 0.56 1.02 -0.10 0.00 -1.03 0.00 0.00 41.12 41.56 2k4i n ASP 96 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2k4i h THR 97 N 1.53 1.49 -0.68 2.12 2.02 -1.06 -2.88 112.91 115.45 2k4i h THR 97 Ca -0.13 -1.55 0.12 0.00 0.77 0.00 0.00 66.41 65.63 2k4i h THR 97 Cb 0.60 2.47 -0.09 0.00 -1.74 0.00 0.00 68.15 69.39 2k4i h THR 97 CO 0.18 0.42 0.23 -0.33 0.37 0.00 0.00 175.52 176.38 2k4i h GLU 98 N -0.51 0.36 -0.30 6.66 4.39 -1.86 -0.25 114.58 123.08 2k4i h GLU 98 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2k4i h GLU 98 Cb 0.72 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2k4i h GLU 98 CO 0.02 0.24 0.15 0.78 -1.16 0.00 0.00 179.01 179.04 2k4i h GLY 99 N 0.37 0.46 0.99 -3.84 0.00 -1.97 -1.18 103.07 97.89 2k4i h GLY 99 Ca 0.36 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.48 2k4i h GLY 99 CO -0.39 0.21 0.26 0.00 0.00 0.00 0.00 176.54 176.62 2k4i h ALA 100 N 1.02 0.50 -0.59 3.60 0.00 -1.11 -2.60 119.26 120.08 2k4i h ALA 100 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k4i h ALA 100 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2k4i h ALA 100 CO -0.02 -0.05 0.35 -0.22 0.00 0.00 0.00 179.25 179.31 2k4i h LYS 101 N 0.53 0.80 -0.96 0.00 3.64 -0.93 -2.46 116.57 117.19 2k4i h LYS 101 Ca 0.15 -0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 2k4i h LYS 101 Cb -0.05 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 31.51 2k4i h LYS 101 CO -0.04 0.58 0.58 0.37 -2.27 0.00 0.00 179.45 178.68 2k4i h GLN 102 N 0.80 0.87 -0.33 1.90 4.15 -0.89 -1.35 115.11 120.25 2k4i h GLN 102 Ca 0.21 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2k4i h GLN 102 Cb -0.01 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 2k4i h GLN 102 CO -0.04 0.57 0.19 0.82 -1.93 0.00 0.00 178.83 178.44 2k4i h ILE 103 N 0.89 1.13 0.29 2.39 2.04 -1.08 0.24 117.51 123.41 2k4i h ILE 103 Ca 0.49 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2k4i h ILE 103 Cb 0.53 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2k4i h ILE 103 CO -0.29 0.13 -0.15 0.58 0.00 0.00 0.00 178.15 178.42 2k4i h VAL 104 N 0.41 0.68 0.00 1.67 2.07 -1.09 -2.29 116.25 117.70 2k4i h VAL 104 Ca 0.12 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 2k4i h VAL 104 Cb 0.05 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2k4i h VAL 104 CO -0.02 0.00 -0.19 -0.09 0.02 0.00 0.00 177.57 177.29 2k4i h ARG 105 N -0.41 0.00 -0.12 1.57 2.43 -1.20 -2.23 114.38 114.41 2k4i h ARG 105 Ca -0.04 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2k4i h ARG 105 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2k4i h ARG 105 CO 0.05 0.19 -0.24 0.00 -1.51 0.00 0.00 179.97 178.46 2k4i h ARG 106 N 0.00 0.21 0.00 0.20 2.47 0.01 -0.42 114.38 116.85 2k4i h ARG 106 Ca -0.00 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.53 2k4i h ARG 106 Cb 0.41 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2k4i h ARG 106 CO 0.02 0.44 -0.61 0.45 0.56 0.00 0.00 179.97 180.83 2k4i h HIS 107 N 0.19 0.00 0.03 3.04 3.86 -0.90 -2.89 115.15 118.47 2k4i h HIS 107 Ca 0.03 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 2k4i h HIS 107 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2k4i h HIS 107 CO 0.01 0.61 -0.83 -0.07 0.86 0.00 0.00 177.93 178.51 2k4i h LEU 108 N 0.00 0.09 -2.30 2.43 3.38 -1.37 -3.34 115.31 114.20 2k4i h LEU 108 Ca -0.01 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 2k4i h LEU 108 Cb 1.40 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2k4i h LEU 108 CO 0.08 1.34 -0.03 0.58 0.09 0.00 0.00 178.44 180.50 2k4i h VAL 109 N -0.84 0.59 0.00 1.22 2.07 -1.22 0.14 116.25 118.22 2k4i h VAL 109 Ca -0.21 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 2k4i h VAL 109 Cb 1.30 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2k4i h VAL 109 CO -0.07 0.03 -0.26 0.00 0.02 0.00 0.00 177.57 177.29 2k4i h ALA 110 N 1.97 1.15 0.00 1.67 0.00 -1.63 0.24 119.26 122.66 2k4i h ALA 110 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 2k4i h ALA 110 Cb 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2k4i h ALA 110 CO 0.00 0.32 -2.22 0.39 0.00 0.00 0.00 179.25 177.74 2k4i n GLU 111 N -3.62 0.88 0.08 0.00 1.02 -0.30 -4.20 120.64 114.50 2k4i n GLU 111 Ca -0.01 -0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.07 2k4i n GLU 111 Cb 0.39 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.27 2k4i n GLU 111 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2k4i h THR 112 N 0.00 1.03 -0.46 2.62 2.02 -0.73 -3.28 112.91 114.11 2k4i h THR 112 Ca -0.42 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.20 2k4i h THR 112 Cb 1.95 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 70.82 2k4i h THR 112 CO 0.02 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.11 2k4i n GLY 113 N 1.33 2.60 0.76 2.16 0.00 0.83 -4.03 105.19 108.84 2k4i n GLY 113 Ca -0.03 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.33 2k4i n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4i n THR 114 N 0.54 1.06 0.26 2.61 5.66 -1.24 -4.79 114.28 118.38 2k4i n THR 114 Ca 0.22 -1.76 0.12 0.00 -3.05 0.00 0.00 64.05 59.58 2k4i n THR 114 Cb 0.96 0.28 0.69 0.00 -1.55 0.00 0.00 70.33 70.71 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i h ALA 115 N 0.62 1.25 -0.77 1.79 0.00 -1.74 -2.19 119.26 118.22 2k4i h ALA 115 Ca -0.07 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.35 2k4i h ALA 115 Cb 1.35 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 2k4i h ALA 115 CO 0.03 0.17 0.47 0.39 0.00 0.00 0.00 179.25 180.30 2k4i n GLU 116 N -3.61 2.34 -1.34 0.00 -0.58 -1.26 -4.03 120.64 112.16 2k4i n GLU 116 Ca -0.02 -2.50 0.02 0.00 -0.42 0.00 0.00 57.16 54.25 2k4i n GLU 116 Cb 0.26 -1.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 2k4i n GLU 116 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2k4i n LYS 117 N -0.66 0.00 -3.47 3.49 4.81 -0.82 -5.11 118.16 116.40 2k4i n LYS 117 Ca 0.46 -1.74 -0.10 0.00 -0.87 0.00 0.00 58.31 56.05 2k4i n LYS 117 Cb 1.41 0.05 -0.02 0.00 0.02 0.00 0.00 35.03 36.49 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2k4i s MET 118 N 0.00 1.01 1.24 1.64 -1.94 -1.25 -5.10 119.30 114.91 2k4i s MET 118 Ca 0.26 -0.36 -0.21 0.00 -1.71 0.00 0.00 55.69 53.68 2k4i s MET 118 Cb 0.30 0.47 0.31 0.00 2.01 0.00 0.00 34.83 37.91 2k4i s MET 118 CO -0.13 -0.44 1.11 -1.25 -0.01 0.00 0.00 175.02 174.31 2k4i s PRO 119 N -3.32 -1.57 0.58 2.03 0.04 -1.26 -4.97 135.00 126.53 2k4i s PRO 119 Ca 0.03 -0.19 -0.20 0.00 0.04 0.00 0.00 61.00 60.68 2k4i s PRO 119 Cb -0.01 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 2k4i s PRO 119 CO -0.10 -3.91 1.09 -1.13 0.04 0.00 0.00 177.00 172.98 2k4i n SER 120 N -4.88 1.36 -4.56 6.66 3.41 -1.26 -4.91 113.62 109.44 2k4i n SER 120 Ca 0.15 0.87 -0.37 0.00 -0.26 0.00 0.00 58.87 59.26 2k4i n SER 120 Cb 0.60 -1.44 0.06 0.00 -0.26 0.00 0.00 64.21 63.17 2k4i n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k4i n THR 121 N -1.49 2.92 -3.82 6.66 -2.24 -1.26 -5.01 114.28 110.04 2k4i n THR 121 Ca 0.13 -0.45 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 2k4i n THR 121 Cb 0.46 -0.98 0.02 0.00 -2.10 0.00 0.00 70.33 67.73 2k4i n THR 121 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k4i s SER 122 N -1.39 -0.04 -0.92 3.42 0.15 -1.26 -5.02 113.70 108.65 2k4i s SER 122 Ca 0.72 -1.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.30 2k4i s SER 122 Cb -0.39 0.81 -0.05 0.00 -1.71 0.00 0.00 66.02 64.67 2k4i s SER 122 CO 0.51 -1.58 0.80 -1.14 1.20 0.00 0.00 173.24 173.03 2k4i n ARG 123 N -0.53 -2.40 0.20 5.44 0.63 -1.26 -4.90 116.66 113.84 2k4i n ARG 123 Ca -0.07 0.75 0.15 0.00 -0.92 0.00 0.00 57.85 57.75 2k4i n ARG 123 Cb 0.60 -5.26 0.59 0.00 0.45 0.00 0.00 32.46 28.84 2k4i n ARG 123 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2k4i h PRO 124 N -1.02 0.00 -6.69 -0.14 0.13 -2.04 -3.45 132.00 118.79 2k4i h PRO 124 Ca -0.52 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.14 2k4i h PRO 124 Cb 1.27 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.63 2k4i h PRO 124 CO 0.39 0.00 -1.03 2.41 -0.23 0.00 0.00 178.00 179.54 2k4i n THR 125 N -2.64 0.00 -1.91 1.56 -1.04 -1.26 -4.96 114.28 104.02 2k4i n THR 125 Ca 0.01 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.05 61.42 2k4i n THR 125 Cb 0.26 -0.61 0.01 0.00 -1.82 0.00 0.00 70.33 68.17 2k4i n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4i s ALA 126 N -2.25 3.04 1.04 2.41 0.00 -1.26 -5.07 121.76 119.67 2k4i s ALA 126 Ca 0.56 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 2k4i s ALA 126 Cb -0.13 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 19.94 2k4i s ALA 126 CO 0.66 -0.69 0.18 -0.35 0.00 0.00 0.00 175.76 175.56 2k4i n PRO 127 N -2.61 -1.38 -0.07 0.00 -0.04 -1.26 -5.06 135.00 124.59 2k4i n PRO 127 Ca 0.06 -0.28 -0.01 0.00 -0.04 0.00 0.00 63.50 63.22 2k4i n PRO 127 Cb 0.54 -0.27 0.01 0.00 -0.04 0.00 0.00 33.50 33.74 2k4i n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k4i n SER 128 N -3.31 -0.68 -4.06 3.54 7.64 -1.26 -5.01 113.62 110.49 2k4i n SER 128 Ca 0.02 -0.71 -0.29 0.00 1.01 0.00 0.00 58.87 58.91 2k4i n SER 128 Cb 0.10 -0.05 0.20 0.00 -1.01 0.00 0.00 64.21 63.45 2k4i n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k4i n SER 129 N -3.07 -2.63 -2.12 6.43 7.64 -1.26 -5.05 113.62 113.55 2k4i n SER 129 Ca 0.01 -0.29 -0.01 0.00 1.01 0.00 0.00 58.87 59.58 2k4i n SER 129 Cb 0.03 -0.98 -0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2k4i n SER 129 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k4i n GLU 130 N -3.07 1.92 -2.52 1.43 2.13 -1.26 -5.00 120.64 114.26 2k4i n GLU 130 Ca 0.03 -0.17 -0.02 0.00 0.66 0.00 0.00 57.16 57.67 2k4i n GLU 130 Cb 0.56 0.04 -0.02 0.00 0.27 0.00 0.00 31.44 32.29 2k4i n GLU 130 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k4i n LYS 131 N -0.08 -3.45 0.00 5.31 5.02 -1.26 -5.08 118.16 118.62 2k4i n LYS 131 Ca -0.01 2.74 0.00 0.00 -2.02 0.00 0.00 58.31 59.02 2k4i n LYS 131 Cb 0.03 -4.75 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 2k4i n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k4i n GLY 132 N 0.94 3.83 0.00 0.72 0.00 -1.25 -5.05 105.19 104.39 2k4i n GLY 132 Ca -0.14 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 5.00 4.20 3.64 -0.02 0.00 -1.26 -4.73 105.19 112.02 2k4i n GLY 133 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.81 2k4i n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k4i s ASN 134 N 0.00 -0.50 0.00 1.61 0.01 -1.26 -5.11 114.94 109.69 2k4i s ASN 134 Ca 0.00 0.82 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 2k4i s ASN 134 Cb 0.00 1.14 0.00 0.00 0.41 0.00 0.00 41.25 42.80 2k4i s ASN 134 CO 0.00 -0.13 0.00 -1.22 -1.51 0.00 0.00 177.10 174.24