#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n n ASN 2 N 0.00 2.40 -0.03 7.83 3.02 -1.26 -3.23 115.26 123.99 2k4n n ASN 2 Ca 0.00 -2.21 0.01 0.00 -0.03 0.00 0.00 54.58 52.35 2k4n n ASN 2 Cb 0.00 0.08 0.32 0.00 -0.61 0.00 0.00 39.78 39.58 2k4n n ASN 2 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2k4n h SER 3 N 0.54 0.54 0.23 6.41 4.64 -1.92 -3.11 113.55 120.88 2k4n h SER 3 Ca -0.23 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2k4n h SER 3 Cb 0.76 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 2k4n h SER 3 CO 0.37 0.51 -0.24 -0.08 -0.87 0.00 0.00 176.83 176.52 2k4n h GLU 4 N 0.59 -0.49 -0.88 4.77 4.81 -1.99 0.12 114.58 121.51 2k4n h GLU 4 Ca 0.14 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2k4n h GLU 4 Cb 0.16 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2k4n h GLU 4 CO -0.01 -0.33 0.57 0.28 -0.73 0.00 0.00 179.01 178.79 2k4n h VAL 5 N -0.51 1.18 -0.63 0.32 2.07 -1.95 -0.72 116.25 116.01 2k4n h VAL 5 Ca -0.00 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2k4n h VAL 5 Cb 0.48 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2k4n h VAL 5 CO -0.06 0.21 0.02 0.40 0.02 0.00 0.00 177.57 178.16 2k4n h ILE 6 N 1.14 1.27 -0.30 4.57 2.04 -1.43 -0.53 117.51 124.27 2k4n h ILE 6 Ca 0.34 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 65.07 2k4n h ILE 6 Cb -0.05 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2k4n h ILE 6 CO -0.10 0.42 0.15 0.11 0.00 0.00 0.00 178.15 178.73 2k4n h LYS 7 N 1.00 0.31 -0.78 2.37 1.57 -0.00 0.78 116.57 121.82 2k4n h LYS 7 Ca 0.18 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2k4n h LYS 7 Cb 0.55 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 2k4n h LYS 7 CO 0.03 0.21 0.39 0.93 -0.57 0.00 0.00 179.45 180.43 2k4n h GLU 8 N 0.32 1.11 0.11 3.15 5.08 -0.88 0.10 114.58 123.56 2k4n h GLU 8 Ca 0.12 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2k4n h GLU 8 Cb 0.03 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2k4n h GLU 8 CO -0.08 0.85 -0.05 0.35 -1.00 0.00 0.00 179.01 179.08 2k4n h PHE 9 N 1.09 -0.13 -0.70 4.33 3.57 -0.69 0.14 116.94 124.55 2k4n h PHE 9 Ca 0.27 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2k4n h PHE 9 Cb 0.10 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2k4n h PHE 9 CO 0.01 0.01 0.31 -0.07 -2.23 0.00 0.00 178.31 176.34 2k4n h LEU 10 N -0.25 0.92 -0.57 0.59 3.38 -0.67 -0.72 115.31 117.99 2k4n h LEU 10 Ca -0.01 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2k4n h LEU 10 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2k4n h LEU 10 CO 0.02 0.79 -0.01 -0.08 0.09 0.00 0.00 178.44 179.26 2k4n h GLU 11 N 1.00 1.01 -0.17 1.13 4.57 -0.61 0.07 114.58 121.57 2k4n h GLU 11 Ca 0.24 -0.32 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 2k4n h GLU 11 Cb 0.14 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2k4n h GLU 11 CO -0.03 1.00 -0.51 0.22 -1.18 0.00 0.00 179.01 178.52 2k4n h ASP 12 N 0.89 0.50 0.54 1.04 3.58 -0.13 -2.55 116.42 120.29 2k4n h ASP 12 Ca 0.16 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2k4n h ASP 12 Cb 0.55 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2k4n h ASP 12 CO 0.03 0.92 -0.30 2.30 -2.88 0.00 0.00 179.24 179.32 2k4n n ILE 13 N -3.97 0.00 -2.98 2.25 -5.35 -0.33 -4.96 119.36 104.02 2k4n n ILE 13 Ca -0.02 -0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 2k4n n ILE 13 Cb 0.57 0.06 0.06 0.00 -1.74 0.00 0.00 39.64 38.60 2k4n n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4n n GLY 14 N 1.44 -0.25 3.58 3.28 0.00 -0.12 -5.03 105.19 108.10 2k4n n GLY 14 Ca 0.08 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2k4n n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4n s GLU 15 N -4.76 2.23 -0.00 1.61 2.56 -0.45 -5.04 118.70 114.85 2k4n s GLU 15 Ca 0.08 -0.96 -0.23 0.00 0.00 0.00 0.00 54.97 53.86 2k4n s GLU 15 Cb -0.01 -2.35 -0.05 0.00 2.00 0.00 0.00 34.13 33.72 2k4n s GLU 15 CO 0.53 0.53 0.70 0.34 -0.56 0.00 0.00 175.26 176.80 2k4n s ASP 16 N -2.07 7.08 0.01 -1.70 2.15 -1.26 -4.74 116.67 116.13 2k4n s ASP 16 Ca 0.21 1.29 0.02 0.00 0.43 0.00 0.00 52.55 54.50 2k4n s ASP 16 Cb -0.11 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2k4n s ASP 16 CO 0.13 -0.01 -0.07 -0.72 -0.17 0.00 0.00 175.17 174.33 2k4n s TYR 17 N 0.19 0.60 -0.61 -5.34 1.13 -1.26 -4.80 117.35 107.26 2k4n s TYR 17 Ca 0.36 -0.20 -0.21 0.00 -1.41 0.00 0.00 57.07 55.61 2k4n s TYR 17 Cb -0.19 -0.38 0.08 0.00 -1.10 0.00 0.00 41.96 40.37 2k4n s TYR 17 CO 0.20 -0.02 0.84 0.42 -2.51 0.00 0.00 175.55 174.48 2k4n s ILE 18 N -0.45 4.55 -0.32 -3.49 1.01 -0.80 -4.97 121.20 116.72 2k4n s ILE 18 Ca -0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 2k4n s ILE 18 Cb -0.04 -4.57 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 2k4n s ILE 18 CO -0.00 -1.26 0.60 -0.70 0.00 0.00 0.00 174.94 173.58 2k4n s GLU 19 N 3.45 3.83 0.46 2.79 2.12 -1.26 -0.67 118.70 129.42 2k4n s GLU 19 Ca 0.18 0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.74 2k4n s GLU 19 Cb -0.19 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 2k4n s GLU 19 CO 0.10 -0.59 0.16 -0.51 -0.54 0.00 0.00 175.26 173.88 2k4n s LEU 20 N 2.57 2.82 -0.36 2.70 1.43 0.13 -5.01 118.68 122.96 2k4n s LEU 20 Ca 0.24 -1.28 -0.27 0.00 -1.03 0.00 0.00 54.13 51.79 2k4n s LEU 20 Cb -0.15 -1.16 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 2k4n s LEU 20 CO 0.12 -0.72 2.31 -1.61 0.23 0.00 0.00 176.35 176.69 2k4n s GLU 21 N -3.95 2.61 -0.90 1.70 2.02 -1.26 -1.17 118.70 117.74 2k4n s GLU 21 Ca 0.31 1.70 0.00 0.00 0.02 0.00 0.00 54.97 57.00 2k4n s GLU 21 Cb 0.03 -4.48 0.00 0.00 0.10 0.00 0.00 34.13 29.78 2k4n s GLU 21 CO 0.17 -2.70 0.00 0.09 0.02 0.00 0.00 175.26 172.84 2k4n n ASN 22 N 13.80 -4.61 -3.77 -0.19 4.13 -1.26 -4.97 115.26 118.39 2k4n n ASN 22 Ca 0.33 0.21 -0.26 0.00 1.68 0.00 0.00 54.58 56.54 2k4n n ASN 22 Cb 0.50 -2.86 -0.17 0.00 -1.54 0.00 0.00 39.78 35.71 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2k4n s GLU 23 N -2.46 0.77 -0.52 3.52 2.02 -0.32 -0.00 118.70 121.71 2k4n s GLU 23 Ca 0.00 -0.27 -0.17 0.00 0.02 0.00 0.00 54.97 54.54 2k4n s GLU 23 Cb 0.00 -1.75 0.08 0.00 0.10 0.00 0.00 34.13 32.57 2k4n s GLU 23 CO 0.00 -0.50 0.54 0.42 0.02 0.00 0.00 175.26 175.73 2k4n s ILE 24 N 1.86 5.05 -0.43 -1.63 1.01 0.92 0.20 121.20 128.18 2k4n s ILE 24 Ca 0.01 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.48 2k4n s ILE 24 Cb -0.15 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.06 2k4n s ILE 24 CO -0.07 -0.80 0.71 -1.00 0.00 0.00 0.00 174.94 173.79 2k4n s HIS 25 N 2.11 3.04 0.41 3.97 3.76 0.15 -0.74 115.29 128.00 2k4n s HIS 25 Ca 0.08 0.12 0.08 0.00 -0.15 0.00 0.00 55.06 55.19 2k4n s HIS 25 Cb -0.24 -3.47 -0.02 0.00 1.11 0.00 0.00 32.58 29.96 2k4n s HIS 25 CO 0.07 -0.89 0.39 -0.51 -0.85 0.00 0.00 174.74 172.96 2k4n s LEU 26 N 3.04 3.43 0.18 0.89 1.43 -0.97 -1.91 118.68 124.77 2k4n s LEU 26 Ca 0.27 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 2k4n s LEU 26 Cb -0.13 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 43.88 2k4n s LEU 26 CO 0.20 -0.64 0.89 -0.54 0.23 0.00 0.00 176.35 176.49 2k4n s LYS 27 N -4.14 4.73 0.25 1.70 1.02 -1.26 -4.71 119.74 117.32 2k4n s LYS 27 Ca 0.48 1.37 -0.13 0.00 0.02 0.00 0.00 55.97 57.71 2k4n s LYS 27 Cb -0.04 -3.30 0.32 0.00 -0.52 0.00 0.00 37.83 34.29 2k4n s LYS 27 CO 0.28 0.45 1.57 -1.35 -0.92 0.00 0.00 175.35 175.38 2k4n h PRO 28 N 4.60 -0.02 -0.28 -1.68 0.10 -1.96 0.19 132.00 132.95 2k4n h PRO 28 Ca -0.45 0.00 -0.16 0.00 0.10 0.00 0.00 66.00 65.49 2k4n h PRO 28 Cb 1.20 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.30 2k4n h PRO 28 CO 0.69 -0.01 -0.46 1.49 0.10 0.00 0.00 178.00 179.81 2k4n h GLU 29 N -0.02 0.74 -0.54 1.05 4.81 -1.93 -1.94 114.58 116.74 2k4n h GLU 29 Ca 0.39 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2k4n h GLU 29 Cb 0.64 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2k4n h GLU 29 CO -0.94 1.04 0.09 0.28 -0.73 0.00 0.00 179.01 178.75 2k4n h VAL 30 N 0.59 1.25 -0.89 0.32 2.07 -1.47 -2.70 116.25 115.42 2k4n h VAL 30 Ca 0.03 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2k4n h VAL 30 Cb 1.02 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 2k4n h VAL 30 CO 0.10 0.34 0.57 0.15 0.02 0.00 0.00 177.57 178.75 2k4n h PHE 31 N 0.78 1.05 -0.46 1.57 3.57 -0.48 -2.47 116.94 120.50 2k4n h PHE 31 Ca 0.16 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2k4n h PHE 31 Cb 0.40 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2k4n h PHE 31 CO 0.03 0.56 0.29 -0.92 -2.23 0.00 0.00 178.31 176.04 2k4n h TYR 32 N 1.05 0.54 -0.43 0.41 3.20 -1.03 0.15 116.97 120.86 2k4n h TYR 32 Ca 0.38 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.21 2k4n h TYR 32 Cb 0.12 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2k4n h TYR 32 CO -0.02 0.32 0.03 0.93 -1.64 0.00 0.00 178.16 177.78 2k4n h GLU 33 N 0.58 0.68 -0.20 1.82 4.39 -1.29 -2.44 114.58 118.11 2k4n h GLU 33 Ca 0.18 -0.15 -0.19 0.00 0.34 0.00 0.00 59.36 59.54 2k4n h GLU 33 Cb -0.02 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2k4n h GLU 33 CO -0.07 0.67 -0.63 0.28 -1.16 0.00 0.00 179.01 178.10 2k4n h VAL 34 N 0.64 1.30 -0.41 3.13 2.07 -0.98 -2.02 116.25 119.99 2k4n h VAL 34 Ca 0.14 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.83 2k4n h VAL 34 Cb 0.36 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 2k4n h VAL 34 CO 0.01 0.59 0.18 -0.25 0.02 0.00 0.00 177.57 178.12 2k4n h TRP 35 N 0.52 0.33 -0.01 1.57 7.01 -0.31 -0.86 115.95 124.20 2k4n h TRP 35 Ca -0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2k4n h TRP 35 Cb 1.23 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 2k4n h TRP 35 CO 0.06 0.15 -0.07 1.63 -2.79 0.00 0.00 178.44 177.42 2k4n n LYS 36 N -4.96 1.11 0.10 2.65 5.02 -0.96 -1.70 118.16 119.43 2k4n n LYS 36 Ca 0.02 -0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 55.67 2k4n n LYS 36 Cb 0.13 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 2k4n n LYS 36 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2k4n h TYR 37 N 1.19 0.56 -0.09 2.13 3.20 -0.39 -3.12 116.97 120.44 2k4n h TYR 37 Ca 0.00 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.50 2k4n h TYR 37 Cb 0.36 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2k4n h TYR 37 CO 0.00 1.26 0.00 1.33 -1.64 0.00 0.00 178.16 179.11 2k4n n VAL 38 N -3.61 0.11 -0.14 1.81 0.24 -0.95 -4.88 118.33 110.91 2k4n n VAL 38 Ca -0.08 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2k4n n VAL 38 Cb 0.97 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 2k4n n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4n n GLY 39 N 1.01 0.92 2.68 7.63 0.00 -1.18 -4.69 105.19 111.56 2k4n n GLY 39 Ca 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 2k4n n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k4n n GLU 40 N -2.14 -2.67 -2.84 1.61 2.13 -0.69 -4.99 120.64 111.05 2k4n n GLU 40 Ca 0.00 2.28 -0.25 0.00 0.66 0.00 0.00 57.16 59.85 2k4n n GLU 40 Cb 0.00 -5.20 0.01 0.00 0.27 0.00 0.00 31.44 26.52 2k4n n GLU 40 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k4n s PRO 41 N -2.03 3.20 -0.00 5.31 0.04 -1.26 -5.05 135.00 135.21 2k4n s PRO 41 Ca 0.12 -0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.65 2k4n s PRO 41 Cb -0.03 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2k4n s PRO 41 CO 0.71 -0.29 1.37 -2.00 0.04 0.00 0.00 177.00 176.83 2k4n s GLU 42 N -4.65 4.30 0.24 4.56 2.12 -1.26 -4.99 118.70 119.01 2k4n s GLU 42 Ca 0.48 1.92 -0.10 0.00 0.36 0.00 0.00 54.97 57.63 2k4n s GLU 42 Cb -0.10 -3.56 -0.07 0.00 0.26 0.00 0.00 34.13 30.66 2k4n s GLU 42 CO 0.41 -0.54 0.56 -0.51 -0.54 0.00 0.00 175.26 174.63 2k4n s LEU 43 N 2.30 4.16 0.38 2.70 1.43 -1.26 -4.98 118.68 123.41 2k4n s LEU 43 Ca 0.62 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 2k4n s LEU 43 Cb -0.30 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 2k4n s LEU 43 CO 0.26 -0.08 0.55 -0.54 0.23 0.00 0.00 176.35 176.76 2k4n s LYS 44 N -2.84 3.11 0.05 1.70 1.02 -0.47 -4.95 119.74 117.36 2k4n s LYS 44 Ca 0.48 -0.78 0.09 0.00 0.02 0.00 0.00 55.97 55.78 2k4n s LYS 44 Cb -0.11 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 2k4n s LYS 44 CO 0.21 -0.06 -0.26 0.95 -0.92 0.00 0.00 175.35 175.28 2k4n s THR 45 N -2.32 2.22 -0.23 2.17 -4.23 -1.26 -0.82 115.64 111.17 2k4n s THR 45 Ca 0.46 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2k4n s THR 45 Cb -0.10 -1.88 0.04 0.00 1.34 0.00 0.00 72.50 71.90 2k4n s THR 45 CO 0.34 0.35 -0.12 -0.47 -0.54 0.00 0.00 174.62 174.17 2k4n s TYR 46 N -0.83 3.06 -0.27 3.99 5.04 0.17 -4.92 117.35 123.59 2k4n s TYR 46 Ca 0.12 -1.91 -0.11 0.00 -2.44 0.00 0.00 57.07 52.73 2k4n s TYR 46 Cb -0.10 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.20 2k4n s TYR 46 CO 0.03 -0.82 0.18 0.08 -1.34 0.00 0.00 175.55 173.67 2k4n s VAL 47 N 1.22 5.29 -0.15 3.14 1.01 -1.26 -0.26 120.40 129.38 2k4n s VAL 47 Ca -0.02 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 2k4n s VAL 47 Cb -0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2k4n s VAL 47 CO -0.07 0.28 0.03 0.27 0.00 0.00 0.00 175.10 175.60 2k4n s ILE 48 N 1.56 4.49 -0.35 2.22 -4.36 -0.22 -4.88 121.20 119.65 2k4n s ILE 48 Ca 0.07 -0.15 -0.01 0.00 -0.26 0.00 0.00 60.65 60.30 2k4n s ILE 48 Cb -0.15 -2.98 0.09 0.00 1.25 0.00 0.00 42.46 40.66 2k4n s ILE 48 CO 0.09 0.50 0.09 -0.70 0.24 0.00 0.00 174.94 175.16 2k4n s GLU 49 N 0.08 2.03 -0.21 0.37 2.12 -1.25 -0.29 118.70 121.55 2k4n s GLU 49 Ca 0.03 -1.64 -0.09 0.00 0.36 0.00 0.00 54.97 53.64 2k4n s GLU 49 Cb -0.13 -3.34 0.08 0.00 0.26 0.00 0.00 34.13 31.01 2k4n s GLU 49 CO 0.01 -0.88 0.46 0.34 -0.54 0.00 0.00 175.26 174.66 2k4n s ASP 50 N 1.40 -0.47 0.00 -1.70 2.15 -1.13 -4.87 116.67 112.05 2k4n s ASP 50 Ca 0.04 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.07 2k4n s ASP 50 Cb -0.21 1.27 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 2k4n s ASP 50 CO -0.04 -0.22 0.00 1.21 -0.17 0.00 0.00 175.17 175.95 2k4n n GLU 51 N 4.98 0.00 -3.95 4.34 2.13 -1.26 -4.60 120.64 122.28 2k4n n GLU 51 Ca -0.14 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.35 2k4n n GLU 51 Cb 0.52 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.09 2k4n n GLU 51 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2k4n s ILE 52 N 0.00 2.59 -0.26 6.31 1.01 -0.98 -5.01 121.20 124.86 2k4n s ILE 52 Ca 0.00 -2.18 -0.02 0.00 0.00 0.00 0.00 60.65 58.44 2k4n s ILE 52 Cb 0.00 -2.83 0.08 0.00 0.01 0.00 0.00 42.46 39.73 2k4n s ILE 52 CO 0.00 -0.57 0.08 0.68 0.00 0.00 0.00 174.94 175.13 2k4n s VAL 53 N 0.99 0.53 -0.36 2.92 -7.23 -1.26 -1.12 120.40 114.87 2k4n s VAL 53 Ca 0.08 -0.91 -0.21 0.00 -1.81 0.00 0.00 61.98 59.13 2k4n s VAL 53 Cb -0.20 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.49 2k4n s VAL 53 CO -0.06 -0.49 0.69 -1.61 -0.31 0.00 0.00 175.10 173.31 2k4n s GLU 54 N 1.82 3.68 -0.14 4.82 2.02 -1.26 -5.01 118.70 124.63 2k4n s GLU 54 Ca 0.05 0.12 -0.34 0.00 0.02 0.00 0.00 54.97 54.82 2k4n s GLU 54 Cb -0.17 -3.82 -0.11 0.00 0.10 0.00 0.00 34.13 30.13 2k4n s GLU 54 CO -0.20 -0.80 1.93 -2.30 0.02 0.00 0.00 175.26 173.92 2k4n n PRO 55 N 6.20 1.97 -0.77 0.39 -0.02 -1.26 -4.80 135.00 136.70 2k4n n PRO 55 Ca 0.00 0.70 -0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2k4n n PRO 55 Cb 0.48 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 2k4n n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4n n GLY 56 N 4.74 0.74 0.23 -1.23 0.00 -1.26 -4.72 105.19 103.69 2k4n n GLY 56 Ca 0.26 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2k4n n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k4n h GLU 57 N 0.19 0.67 0.00 1.61 3.07 -2.02 -3.27 114.58 114.83 2k4n h GLU 57 Ca -0.14 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2k4n h GLU 57 Cb 1.38 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 2k4n h GLU 57 CO -0.03 0.99 0.00 2.48 -1.40 0.00 0.00 179.01 181.05 2k4n n TYR 58 N -4.01 0.00 -3.54 4.33 0.18 -1.26 -5.03 117.16 107.82 2k4n n TYR 58 Ca -0.03 -0.08 -0.37 0.00 1.88 0.00 0.00 57.90 59.31 2k4n n TYR 58 Cb 0.56 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.45 2k4n n TYR 58 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2k4n s ASP 59 N -0.16 6.52 0.14 9.48 2.15 -1.24 -5.04 116.67 128.52 2k4n s ASP 59 Ca 0.00 0.61 -0.31 0.00 0.43 0.00 0.00 52.55 53.28 2k4n s ASP 59 Cb 0.00 -2.19 -0.11 0.00 -0.30 0.00 0.00 42.92 40.32 2k4n s ASP 59 CO 0.00 0.16 1.82 -2.84 -0.17 0.00 0.00 175.17 174.14 2k4n s PRO 60 N 0.08 4.13 -0.05 4.34 0.02 -1.26 -4.76 135.00 137.50 2k4n s PRO 60 Ca 0.18 2.61 -0.30 0.00 0.02 0.00 0.00 61.00 63.52 2k4n s PRO 60 Cb -0.14 -3.51 -0.04 0.00 0.02 0.00 0.00 34.50 30.83 2k4n s PRO 60 CO 0.06 -0.84 1.24 -1.25 -0.33 0.00 0.00 177.00 175.89 2k4n s PRO 61 N 2.51 4.34 0.00 5.54 0.04 -1.26 -5.03 135.00 141.13 2k4n s PRO 61 Ca 0.80 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2k4n s PRO 61 Cb -0.47 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2k4n s PRO 61 CO 0.36 -0.48 0.00 0.39 0.04 0.00 0.00 177.00 177.31 2k4n n GLU 62 N 5.26 2.27 0.23 4.56 1.02 -1.26 -5.02 120.64 127.70 2k4n n GLU 62 Ca 0.11 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.39 2k4n n GLU 62 Cb 0.46 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.22 2k4n n GLU 62 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2k4n h MET 63 N 0.00 0.00 -5.89 3.49 2.86 -2.07 -3.40 114.93 109.93 2k4n h MET 63 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 2k4n h MET 63 Cb 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.54 2k4n h MET 63 CO 0.00 0.00 1.24 0.21 1.06 0.00 0.00 176.91 179.42 2k4n s LYS 64 N -3.34 3.50 -0.60 1.72 2.20 -1.26 -4.95 119.74 117.00 2k4n s LYS 64 Ca 0.05 -1.10 -0.19 0.00 -0.36 0.00 0.00 55.97 54.37 2k4n s LYS 64 Cb 0.07 -5.02 0.10 0.00 -1.51 0.00 0.00 37.83 31.47 2k4n s LYS 64 CO 0.62 -2.09 0.75 0.71 -0.36 0.00 0.00 175.35 174.98 2k4n s TYR 65 N 4.57 2.94 0.42 4.03 2.02 -1.26 -5.04 117.35 125.03 2k4n s TYR 65 Ca 0.40 -0.90 -0.19 0.00 -0.37 0.00 0.00 57.07 56.02 2k4n s TYR 65 Cb -0.03 -4.06 -0.10 0.00 -0.40 0.00 0.00 41.96 37.37 2k4n s TYR 65 CO -0.05 -1.36 0.91 0.99 -1.57 0.00 0.00 175.55 174.47 2k4n s THR 66 N 2.91 4.49 -1.19 -0.71 2.01 -1.26 -4.95 115.64 116.94 2k4n s THR 66 Ca 0.13 1.30 -0.21 0.00 0.31 0.00 0.00 61.69 63.22 2k4n s THR 66 Cb -0.23 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 2k4n s THR 66 CO 0.07 -0.36 1.82 0.20 -0.69 0.00 0.00 174.62 175.66 2k4n s ASN 67 N -2.39 5.84 -0.37 3.53 -0.87 -1.26 -4.92 114.94 114.50 2k4n s ASN 67 Ca 0.60 -1.85 -0.29 0.00 -1.57 0.00 0.00 52.86 49.75 2k4n s ASN 67 Cb -0.09 -2.58 -0.00 0.00 -0.02 0.00 0.00 41.25 38.55 2k4n s ASN 67 CO 0.18 -2.21 1.58 -0.69 -2.57 0.00 0.00 177.10 173.39 2k4n s VAL 68 N 7.89 3.72 -0.48 1.60 1.01 -1.26 -4.96 120.40 127.91 2k4n s VAL 68 Ca 0.61 0.73 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 2k4n s VAL 68 Cb 0.01 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.47 2k4n s VAL 68 CO 0.08 -0.60 0.68 -0.54 0.00 0.00 0.00 175.10 174.72 2k4n s LYS 69 N 5.23 3.22 -0.69 2.72 1.02 -0.27 -4.99 119.74 125.98 2k4n s LYS 69 Ca 0.69 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.95 2k4n s LYS 69 Cb -0.18 -4.03 0.15 0.00 -0.52 0.00 0.00 37.83 33.26 2k4n s LYS 69 CO 0.33 -1.17 0.72 0.15 -0.92 0.00 0.00 175.35 174.46 2k4n s LYS 70 N 2.91 3.27 -0.47 1.68 1.02 -1.26 -2.31 119.74 124.59 2k4n s LYS 70 Ca 0.21 -1.83 -0.20 0.00 0.02 0.00 0.00 55.97 54.16 2k4n s LYS 70 Cb -0.16 -4.40 0.03 0.00 -0.52 0.00 0.00 37.83 32.78 2k4n s LYS 70 CO 0.16 -1.44 0.64 0.08 -0.92 0.00 0.00 175.35 173.88 2k4n s VAL 71 N 1.62 4.83 -0.62 3.17 1.01 -1.26 -4.97 120.40 124.18 2k4n s VAL 71 Ca 0.14 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2k4n s VAL 71 Cb -0.19 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 32.02 2k4n s VAL 71 CO -0.01 -0.68 0.86 -0.54 0.00 0.00 0.00 175.10 174.72 2k4n s LYS 72 N 2.79 3.11 -0.37 2.72 1.02 -1.26 -2.85 119.74 124.89 2k4n s LYS 72 Ca 0.20 -0.95 -0.20 0.00 0.02 0.00 0.00 55.97 55.04 2k4n s LYS 72 Cb -0.16 -4.22 0.01 0.00 -0.52 0.00 0.00 37.83 32.94 2k4n s LYS 72 CO 0.16 -1.66 0.63 0.42 -0.92 0.00 0.00 175.35 173.99 2k4n s ILE 73 N 3.52 4.88 -0.56 2.17 1.01 0.61 -4.89 121.20 127.94 2k4n s ILE 73 Ca 0.19 0.47 -0.19 0.00 0.00 0.00 0.00 60.65 61.12 2k4n s ILE 73 Cb -0.19 -4.10 0.09 0.00 0.01 0.00 0.00 42.46 38.27 2k4n s ILE 73 CO 0.10 -0.37 0.66 -0.75 0.00 0.00 0.00 174.94 174.58 2k4n s LYS 74 N 2.72 3.06 0.44 2.79 2.20 -1.26 -1.05 119.74 128.65 2k4n s LYS 74 Ca 0.24 -1.20 0.04 0.00 -0.36 0.00 0.00 55.97 54.69 2k4n s LYS 74 Cb -0.14 -4.21 0.01 0.00 -1.51 0.00 0.00 37.83 31.97 2k4n s LYS 74 CO 0.16 -1.42 0.62 0.15 -0.36 0.00 0.00 175.35 174.50 2k4n s LYS 75 N 2.60 2.88 0.10 4.03 1.02 0.64 -3.87 119.74 127.14 2k4n s LYS 75 Ca 0.12 -0.89 0.09 0.00 0.02 0.00 0.00 55.97 55.31 2k4n s LYS 75 Cb -0.23 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2k4n s LYS 75 CO 0.08 -0.31 -0.19 0.54 -0.92 0.00 0.00 175.35 174.55 2k4n s VAL 76 N -2.47 2.77 0.03 3.17 0.11 0.13 0.43 120.40 124.57 2k4n s VAL 76 Ca 0.52 -1.44 -0.21 0.00 -2.93 0.00 0.00 61.98 57.91 2k4n s VAL 76 Cb -0.10 -2.24 0.05 0.00 -1.53 0.00 0.00 36.38 32.56 2k4n s VAL 76 CO 0.35 0.16 0.48 -0.72 -3.33 0.00 0.00 175.10 172.05 2k4n s TYR 77 N -1.07 -0.37 0.29 1.54 -0.85 0.00 -0.24 117.35 116.65 2k4n s TYR 77 Ca 0.17 0.43 0.11 0.00 -0.52 0.00 0.00 57.07 57.26 2k4n s TYR 77 Cb -0.10 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.47 2k4n s TYR 77 CO 0.08 -0.60 -0.16 -0.59 -1.52 0.00 0.00 175.55 172.77 2k4n s PHE 78 N -2.27 2.36 -0.07 -3.49 -0.71 -0.93 -1.37 117.98 111.49 2k4n s PHE 78 Ca -0.06 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.50 2k4n s PHE 78 Cb -0.01 -1.07 -0.03 0.00 -1.21 0.00 0.00 43.02 40.70 2k4n s PHE 78 CO -0.01 0.69 -0.10 -1.21 -1.34 0.00 0.00 175.22 173.26 2k4n s GLU 79 N -3.55 2.75 0.53 1.99 2.02 -1.26 -1.01 118.70 120.18 2k4n s GLU 79 Ca 0.31 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.71 2k4n s GLU 79 Cb -0.04 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.68 2k4n s GLU 79 CO 0.16 0.60 0.75 0.95 0.02 0.00 0.00 175.26 177.74 2k4n s THR 80 N -0.65 2.78 -0.99 3.63 -4.23 -0.67 -4.98 115.64 110.53 2k4n s THR 80 Ca 0.10 -0.68 0.21 0.00 -1.18 0.00 0.00 61.69 60.14 2k4n s THR 80 Cb -0.11 -3.03 0.18 0.00 1.34 0.00 0.00 72.50 70.87 2k4n s THR 80 CO 0.01 -0.02 1.68 0.18 -0.54 0.00 0.00 174.62 175.93 2k4n n LEU 81 N -2.29 0.02 -0.90 4.79 4.32 -1.20 -2.41 117.00 119.34 2k4n n LEU 81 Ca 0.08 0.50 0.07 0.00 -0.02 0.00 0.00 56.01 56.64 2k4n n LEU 81 Cb 0.59 -0.50 0.21 0.00 -1.62 0.00 0.00 43.42 42.10 2k4n n LEU 81 CO 0.45 -0.15 0.67 -0.67 -1.22 0.00 0.00 177.39 176.47 2k4n n ASP 82 N -1.52 2.62 -0.93 -1.43 2.03 -1.26 -4.89 116.55 111.16 2k4n n ASP 82 Ca 0.05 -2.06 -0.12 0.00 0.52 0.00 0.00 54.79 53.19 2k4n n ASP 82 Cb 0.25 -0.34 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k4n n ASN 83 N 0.81 -4.35 -4.63 1.67 3.02 -1.01 -4.95 115.26 105.82 2k4n n ASN 83 Ca 0.16 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.61 2k4n n ASN 83 Cb 0.43 -2.93 -0.10 0.00 -0.61 0.00 0.00 39.78 36.58 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k4n s VAL 84 N -2.44 5.07 -0.21 2.41 1.01 -1.26 -4.86 120.40 120.11 2k4n s VAL 84 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2k4n s VAL 84 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2k4n s VAL 84 CO 0.00 0.38 0.37 -0.13 0.00 0.00 0.00 175.10 175.72 2k4n s ARG 85 N 0.89 4.14 -0.47 2.72 0.52 1.00 -1.67 118.95 126.08 2k4n s ARG 85 Ca 0.06 0.13 -0.18 0.00 -0.52 0.00 0.00 55.73 55.22 2k4n s ARG 85 Cb -0.13 -3.55 0.04 0.00 0.52 0.00 0.00 34.95 31.83 2k4n s ARG 85 CO 0.03 -0.06 0.55 0.08 0.02 0.00 0.00 175.30 175.91 2k4n s VAL 86 N 1.39 4.97 -0.11 3.52 1.01 -0.18 -0.06 120.40 130.95 2k4n s VAL 86 Ca 0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2k4n s VAL 86 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2k4n s VAL 86 CO 0.08 -0.63 0.04 -0.69 0.00 0.00 0.00 175.10 173.89 2k4n s VAL 87 N 2.41 4.62 0.08 2.92 1.01 0.09 -2.19 120.40 129.33 2k4n s VAL 87 Ca 0.14 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 2k4n s VAL 87 Cb -0.18 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.25 2k4n s VAL 87 CO 0.13 0.59 0.38 -0.89 0.00 0.00 0.00 175.10 175.31 2k4n s THR 88 N -0.75 0.07 0.01 3.92 2.01 0.67 -2.28 115.64 119.29 2k4n s THR 88 Ca 0.12 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 2k4n s THR 88 Cb -0.12 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 71.28 2k4n s THR 88 CO 0.02 -0.32 1.49 -1.81 -0.69 0.00 0.00 174.62 173.32 2k4n s ASP 89 N -2.37 6.77 0.30 3.53 1.01 -1.26 0.17 116.67 124.82 2k4n s ASP 89 Ca -0.02 2.22 0.06 0.00 0.71 0.00 0.00 52.55 55.53 2k4n s ASP 89 Cb 0.01 -2.56 0.47 0.00 1.01 0.00 0.00 42.92 41.85 2k4n s ASP 89 CO -0.07 -0.78 1.72 0.22 0.21 0.00 0.00 175.17 176.47 2k4n h TYR 90 N 8.10 0.30 -0.88 4.23 3.20 -1.84 -1.02 116.97 129.06 2k4n h TYR 90 Ca -0.39 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.47 2k4n h TYR 90 Cb 1.18 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 2k4n h TYR 90 CO 0.77 0.61 0.55 0.77 -1.64 0.00 0.00 178.16 179.22 2k4n h SER 91 N 0.22 0.85 0.78 -2.11 0.02 -1.91 0.31 113.55 111.72 2k4n h SER 91 Ca 0.02 0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.75 2k4n h SER 91 Cb 0.77 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2k4n h SER 91 CO 0.06 0.53 -1.28 -0.33 -1.14 0.00 0.00 176.83 174.67 2k4n h GLU 92 N 0.98 0.03 -0.18 3.45 5.08 -1.89 -2.40 114.58 119.65 2k4n h GLU 92 Ca 0.39 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2k4n h GLU 92 Cb 0.22 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k4n h GLU 92 CO -0.19 0.85 0.08 0.35 -1.00 0.00 0.00 179.01 179.11 2k4n h PHE 93 N 0.01 0.27 -0.92 4.33 3.57 -0.63 -0.86 116.94 122.70 2k4n h PHE 93 Ca -0.12 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.41 2k4n h PHE 93 Cb 1.87 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.47 2k4n h PHE 93 CO 0.01 0.30 0.59 1.96 -2.23 0.00 0.00 178.31 178.94 2k4n h GLN 94 N 0.16 1.09 -0.59 1.11 4.20 -0.47 -2.16 115.11 118.46 2k4n h GLN 94 Ca 0.06 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2k4n h GLN 94 Cb 0.14 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2k4n h GLN 94 CO -0.01 0.72 0.32 -0.22 -0.67 0.00 0.00 178.83 178.97 2k4n h LYS 95 N 1.13 0.58 -0.21 1.46 3.64 -0.92 -0.52 116.57 121.73 2k4n h LYS 95 Ca 0.38 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 2k4n h LYS 95 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2k4n h LYS 95 CO -0.14 0.38 0.04 0.82 -2.27 0.00 0.00 179.45 178.29 2k4n h ILE 96 N 0.60 1.21 0.12 2.00 2.04 -0.67 -0.44 117.51 122.37 2k4n h ILE 96 Ca 0.26 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2k4n h ILE 96 Cb 0.16 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2k4n h ILE 96 CO -0.17 0.22 -0.06 -0.07 0.00 0.00 0.00 178.15 178.07 2k4n h LEU 97 N 0.14 -0.14 -0.79 1.44 3.38 -1.12 -2.64 115.31 115.59 2k4n h LEU 97 Ca 0.06 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2k4n h LEU 97 Cb 0.29 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2k4n h LEU 97 CO 0.00 -0.09 -0.53 0.11 0.09 0.00 0.00 178.44 178.02 2k4n h LYS 98 N -0.17 0.00 0.00 1.13 1.57 -1.08 0.36 116.57 118.38 2k4n h LYS 98 Ca -0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2k4n h LYS 98 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2k4n h LYS 98 CO 0.03 0.53 -0.53 1.57 -0.57 0.00 0.00 179.45 180.47 2k4n h LYS 99 N 0.00 0.00 0.11 3.15 2.10 -0.95 -2.84 116.57 118.14 2k4n h LYS 99 Ca -0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.43 2k4n h LYS 99 Cb 1.04 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.40 2k4n h LYS 99 CO 0.07 0.53 -0.90 0.00 -2.00 0.00 0.00 179.45 177.15 2k4n h ARG 100 N 0.00 0.41 0.00 0.07 3.08 -1.21 -3.48 114.38 113.24 2k4n h ARG 100 Ca -0.01 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2k4n h ARG 100 Cb 0.95 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2k4n h ARG 100 CO 0.07 1.25 0.00 0.41 -1.07 0.00 0.00 179.97 180.63 2k4n n GLY 101 N 1.47 1.48 3.85 0.04 0.00 -0.24 -5.13 105.19 106.66 2k4n n GLY 101 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2k4n n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4n s THR 102 N -1.48 5.31 0.33 2.61 2.01 0.11 -4.97 115.64 119.56 2k4n s THR 102 Ca 0.00 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.52 2k4n s THR 102 Cb 0.00 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 2k4n s THR 102 CO 0.00 0.58 0.48 -0.54 -0.69 0.00 0.00 174.62 174.46 2k4n s LYS 103 N -0.91 3.21 0.20 4.92 1.02 -1.26 -3.84 119.74 123.08 2k4n s LYS 103 Ca 0.18 -0.83 0.22 0.00 0.02 0.00 0.00 55.97 55.57 2k4n s LYS 103 Cb -0.14 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2k4n s LYS 103 CO 0.07 0.10 1.05 -0.07 -0.92 0.00 0.00 175.35 175.59 2k4n h LEU 104 N 0.87 0.00 -9.00 3.17 3.38 -1.99 -3.45 115.31 108.29 2k4n h LEU 104 Ca -0.47 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.87 2k4n h LEU 104 Cb 1.25 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 2k4n h LEU 104 CO 0.56 0.04 -0.53 -1.61 0.09 0.00 0.00 178.44 176.99 2k4n s GLU 105 N -3.33 3.98 -1.17 1.13 2.02 -1.26 -5.02 118.70 115.05 2k4n s GLU 105 Ca -0.00 -0.32 -0.18 0.00 0.02 0.00 0.00 54.97 54.49 2k4n s GLU 105 Cb 0.09 -3.47 0.10 0.00 0.10 0.00 0.00 34.13 30.95 2k4n s GLU 105 CO 0.79 0.03 1.53 -1.01 0.02 0.00 0.00 175.26 176.62 2k4n s HIS 106 N 1.11 2.94 -0.19 1.61 3.76 -1.26 -4.97 115.29 118.29 2k4n s HIS 106 Ca 0.06 -1.55 -0.17 0.00 -0.15 0.00 0.00 55.06 53.25 2k4n s HIS 106 Cb -0.14 -4.58 -0.04 0.00 1.11 0.00 0.00 32.58 28.93 2k4n s HIS 106 CO 0.05 -1.70 0.47 -1.01 -0.85 0.00 0.00 174.74 171.70 2k4n s HIS 107 N 3.57 3.39 -0.15 1.40 3.76 -1.26 -4.91 115.29 121.09 2k4n s HIS 107 Ca 0.47 0.73 0.22 0.00 -0.15 0.00 0.00 55.06 56.32 2k4n s HIS 107 Cb 0.00 -2.61 -0.32 0.00 1.11 0.00 0.00 32.58 30.77 2k4n s HIS 107 CO 0.00 -0.04 0.53 1.58 -0.85 0.00 0.00 174.74 175.96 2k4n n HIS 108 N 4.57 0.00 -4.06 1.40 -0.00 -1.26 -4.97 115.22 110.90 2k4n n HIS 108 Ca -0.06 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.93 2k4n n HIS 108 Cb 0.51 -0.43 -0.02 0.00 -0.12 0.00 0.00 29.99 29.93 2k4n n HIS 108 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k4n n HIS 109 N -2.15 -0.21 0.00 1.57 8.25 -1.26 -5.10 115.22 116.31 2k4n n HIS 109 Ca -0.03 -1.56 0.00 0.00 -0.26 0.00 0.00 57.72 55.87 2k4n n HIS 109 Cb 0.53 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2k4n n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k4n n HIS 110 N -1.13 0.00 -1.21 4.41 -0.00 -1.26 -5.17 115.22 110.86 2k4n n HIS 110 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2k4n n HIS 110 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 2k4n n HIS 110 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06