#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n s ASN 2 N 0.00 3.87 0.47 3.17 -0.87 -1.26 -4.15 114.94 116.18 2k4n s ASN 2 Ca 0.00 -1.44 0.19 0.00 -1.57 0.00 0.00 52.86 50.03 2k4n s ASN 2 Cb 0.00 -0.15 1.17 0.00 -0.02 0.00 0.00 41.25 42.25 2k4n s ASN 2 CO 0.00 -0.56 2.03 0.77 -2.57 0.00 0.00 177.10 176.77 2k4n h SER 3 N 1.68 0.00 -0.56 -1.22 4.64 -1.95 -1.46 113.55 114.68 2k4n h SER 3 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2k4n h SER 3 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 2k4n h SER 3 CO 0.79 0.16 0.27 -0.08 -0.87 0.00 0.00 176.83 177.10 2k4n h GLU 4 N 0.00 0.81 -0.90 4.77 4.81 -1.99 0.77 114.58 122.86 2k4n h GLU 4 Ca -0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2k4n h GLU 4 Cb 0.31 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2k4n h GLU 4 CO 0.02 0.66 0.51 0.28 -0.73 0.00 0.00 179.01 179.75 2k4n h VAL 5 N 0.76 1.25 -0.67 0.32 2.07 -1.68 -1.88 116.25 116.42 2k4n h VAL 5 Ca 0.19 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2k4n h VAL 5 Cb 0.11 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 2k4n h VAL 5 CO -0.02 0.28 0.25 0.40 0.02 0.00 0.00 177.57 178.50 2k4n h ILE 6 N 1.25 1.24 -0.29 4.57 2.04 -0.83 -1.97 117.51 123.53 2k4n h ILE 6 Ca 0.32 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2k4n h ILE 6 Cb -0.01 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 2k4n h ILE 6 CO -0.05 0.31 -0.03 0.11 0.00 0.00 0.00 178.15 178.48 2k4n h LYS 7 N 0.96 0.04 -0.68 2.37 1.57 -0.13 0.27 116.57 120.97 2k4n h LYS 7 Ca 0.22 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2k4n h LYS 7 Cb 0.23 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2k4n h LYS 7 CO -0.02 0.03 0.44 0.93 -0.57 0.00 0.00 179.45 180.26 2k4n h GLU 8 N 0.05 0.91 -0.28 3.15 5.08 -1.11 0.31 114.58 122.68 2k4n h GLU 8 Ca 0.14 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2k4n h GLU 8 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k4n h GLU 8 CO -0.26 0.62 -0.10 0.35 -1.00 0.00 0.00 179.01 178.61 2k4n h PHE 9 N 0.93 0.65 -0.39 4.33 3.57 -0.56 -2.07 116.94 123.40 2k4n h PHE 9 Ca 0.25 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2k4n h PHE 9 Cb -0.08 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2k4n h PHE 9 CO 0.00 0.79 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.77 2k4n h LEU 10 N 0.32 0.70 -1.44 0.59 3.38 0.29 -1.10 115.31 118.05 2k4n h LEU 10 Ca 0.07 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2k4n h LEU 10 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2k4n h LEU 10 CO 0.04 0.87 -0.28 -0.33 0.09 0.00 0.00 178.44 178.83 2k4n h GLU 11 N 0.52 0.01 -0.01 1.13 4.39 -0.46 0.27 114.58 120.43 2k4n h GLU 11 Ca 0.10 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 2k4n h GLU 11 Cb 0.53 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2k4n h GLU 11 CO 0.03 0.28 -0.26 0.22 -1.16 0.00 0.00 179.01 178.12 2k4n h ASP 12 N 0.01 0.25 0.28 1.42 3.58 -1.04 -3.35 116.42 117.57 2k4n h ASP 12 Ca -0.00 -0.75 -0.28 0.00 0.42 0.00 0.00 57.03 56.42 2k4n h ASP 12 Cb 0.49 -0.08 0.02 0.00 1.72 0.00 0.00 39.33 41.48 2k4n h ASP 12 CO 0.04 0.96 -1.18 0.16 -2.88 0.00 0.00 179.24 176.34 2k4n h ILE 13 N -0.44 1.35 0.00 2.25 3.07 -1.12 -3.49 117.51 119.14 2k4n h ILE 13 Ca -0.03 -2.58 0.00 0.00 1.55 0.00 0.00 64.86 63.80 2k4n h ILE 13 Cb 0.99 2.69 0.00 0.00 -0.27 0.00 0.00 36.82 40.23 2k4n h ILE 13 CO 0.05 0.78 0.00 0.61 -1.05 0.00 0.00 178.15 178.54 2k4n n GLY 14 N 1.31 0.77 2.97 0.16 0.00 0.85 -5.10 105.19 106.15 2k4n n GLY 14 Ca -0.11 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.40 0.96 -0.43 1.61 2.56 -0.56 -5.02 118.70 117.41 2k4n s GLU 15 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.97 54.59 2k4n s GLU 15 Cb 0.00 -0.89 0.06 0.00 2.00 0.00 0.00 34.13 35.29 2k4n s GLU 15 CO 0.00 0.04 0.32 0.34 -0.56 0.00 0.00 175.26 175.40 2k4n s ASP 16 N 0.44 5.97 0.15 -1.70 2.15 -1.26 -4.64 116.67 117.79 2k4n s ASP 16 Ca -0.07 -1.22 0.07 0.00 0.43 0.00 0.00 52.55 51.76 2k4n s ASP 16 Cb -0.11 -2.11 -0.04 0.00 -0.30 0.00 0.00 42.92 40.36 2k4n s ASP 16 CO 0.01 -0.54 -0.02 -0.72 -0.17 0.00 0.00 175.17 173.72 2k4n s TYR 17 N 1.59 2.84 -0.50 -5.34 -0.85 -1.26 -4.88 117.35 108.94 2k4n s TYR 17 Ca 0.04 -0.13 -0.22 0.00 -0.52 0.00 0.00 57.07 56.24 2k4n s TYR 17 Cb -0.22 -1.41 0.04 0.00 0.38 0.00 0.00 41.96 40.75 2k4n s TYR 17 CO 0.06 0.49 0.79 0.42 -1.52 0.00 0.00 175.55 175.80 2k4n s ILE 18 N -1.57 4.62 -0.66 -3.49 1.01 -1.02 -4.93 121.20 115.16 2k4n s ILE 18 Ca 0.26 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 2k4n s ILE 18 Cb -0.10 -4.39 0.12 0.00 0.01 0.00 0.00 42.46 38.09 2k4n s ILE 18 CO 0.17 -0.89 0.78 -0.70 0.00 0.00 0.00 174.94 174.30 2k4n s GLU 19 N 3.35 3.17 0.28 2.79 2.12 -1.26 -1.37 118.70 127.78 2k4n s GLU 19 Ca 0.26 -1.47 0.06 0.00 0.36 0.00 0.00 54.97 54.18 2k4n s GLU 19 Cb -0.14 -4.36 -0.02 0.00 0.26 0.00 0.00 34.13 29.86 2k4n s GLU 19 CO 0.18 -1.56 0.36 -0.51 -0.54 0.00 0.00 175.26 173.19 2k4n s LEU 20 N 2.50 4.08 -0.12 2.70 1.43 0.96 -5.01 118.68 125.23 2k4n s LEU 20 Ca 0.15 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 2k4n s LEU 20 Cb -0.20 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 2k4n s LEU 20 CO 0.03 -0.20 1.84 -0.70 0.23 0.00 0.00 176.35 177.55 2k4n s GLU 21 N -4.02 3.83 0.00 1.70 2.12 -1.26 -1.10 118.70 119.97 2k4n s GLU 21 Ca 0.38 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.80 2k4n s GLU 21 Cb -0.09 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.17 2k4n s GLU 21 CO 0.29 -1.28 0.00 0.09 -0.54 0.00 0.00 175.26 173.82 2k4n n ASN 22 N 8.59 -2.67 -3.63 -1.70 3.02 -1.26 -4.98 115.26 112.62 2k4n n ASN 22 Ca 0.21 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 2k4n n ASN 22 Cb 0.44 -0.99 -0.17 0.00 -0.61 0.00 0.00 39.78 38.44 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k4n s GLU 23 N -0.38 0.01 -0.27 3.52 2.02 -0.26 -1.15 118.70 122.19 2k4n s GLU 23 Ca 0.00 0.10 -0.06 0.00 0.02 0.00 0.00 54.97 55.03 2k4n s GLU 23 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.91 2k4n s GLU 23 CO 0.00 -0.54 0.04 0.42 0.02 0.00 0.00 175.26 175.20 2k4n s ILE 24 N 2.15 3.79 -0.26 -1.63 1.01 -0.47 -0.02 121.20 125.77 2k4n s ILE 24 Ca 0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 2k4n s ILE 24 Cb -0.14 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 2k4n s ILE 24 CO -0.07 0.18 0.25 -1.00 0.00 0.00 0.00 174.94 174.30 2k4n s HIS 25 N 1.49 3.26 0.30 3.97 3.76 -0.47 -0.21 115.29 127.39 2k4n s HIS 25 Ca 0.03 0.26 0.10 0.00 -0.15 0.00 0.00 55.06 55.31 2k4n s HIS 25 Cb -0.16 -2.41 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 2k4n s HIS 25 CO 0.01 -0.11 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.20 2k4n s LEU 26 N 1.61 2.86 0.40 0.89 1.43 -0.97 -2.43 118.68 122.47 2k4n s LEU 26 Ca 0.10 -0.94 -0.25 0.00 -1.03 0.00 0.00 54.13 52.01 2k4n s LEU 26 Cb -0.15 -1.31 -0.09 0.00 0.03 0.00 0.00 46.19 44.68 2k4n s LEU 26 CO 0.09 -0.07 1.11 -0.54 0.23 0.00 0.00 176.35 177.17 2k4n s LYS 27 N -3.62 4.09 0.45 1.70 1.02 -1.26 -4.58 119.74 117.54 2k4n s LYS 27 Ca 0.32 1.69 0.21 0.00 0.02 0.00 0.00 55.97 58.20 2k4n s LYS 27 Cb -0.03 -2.61 1.17 0.00 -0.52 0.00 0.00 37.83 35.84 2k4n s LYS 27 CO 0.17 -0.25 1.87 -1.35 -0.92 0.00 0.00 175.35 174.88 2k4n h PRO 28 N 2.56 0.30 0.16 -1.68 0.11 -1.97 0.32 132.00 131.81 2k4n h PRO 28 Ca -0.48 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.62 2k4n h PRO 28 Cb 1.23 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2k4n h PRO 28 CO 0.62 0.20 -0.41 1.49 -0.21 0.00 0.00 178.00 179.70 2k4n h GLU 29 N 0.31 -0.64 0.15 1.05 4.81 -1.96 -1.85 114.58 116.45 2k4n h GLU 29 Ca 0.45 0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 59.44 2k4n h GLU 29 Cb 1.25 0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.79 2k4n h GLU 29 CO -0.14 -0.43 -1.27 0.28 -0.73 0.00 0.00 179.01 176.72 2k4n h VAL 30 N -0.66 1.43 -0.95 0.32 2.07 -1.68 -3.25 116.25 113.53 2k4n h VAL 30 Ca 0.01 -2.91 0.11 0.00 0.82 0.00 0.00 66.70 64.74 2k4n h VAL 30 Cb 0.68 2.92 -0.07 0.00 -1.52 0.00 0.00 31.29 33.29 2k4n h VAL 30 CO -0.21 0.86 0.61 0.15 0.02 0.00 0.00 177.57 178.99 2k4n h PHE 31 N 0.11 1.03 -0.63 1.57 3.04 -0.38 0.14 116.94 121.82 2k4n h PHE 31 Ca -0.16 0.03 0.07 0.00 3.98 0.00 0.00 57.97 61.89 2k4n h PHE 31 Cb 1.98 -0.33 -0.06 0.00 2.56 0.00 0.00 35.95 40.10 2k4n h PHE 31 CO 0.08 0.44 0.31 -0.92 -2.02 0.00 0.00 178.31 176.19 2k4n h TYR 32 N 0.92 0.55 0.05 0.41 3.20 -1.37 0.14 116.97 120.88 2k4n h TYR 32 Ca 0.46 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 62.12 2k4n h TYR 32 Cb 0.47 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2k4n h TYR 32 CO -0.00 0.22 -1.05 0.93 -1.64 0.00 0.00 178.16 176.62 2k4n h GLU 33 N 0.55 0.15 -0.58 1.82 5.08 -1.26 -2.90 114.58 117.44 2k4n h GLU 33 Ca 0.30 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2k4n h GLU 33 Cb 0.27 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2k4n h GLU 33 CO -0.23 1.06 0.05 0.28 -1.00 0.00 0.00 179.01 179.18 2k4n h VAL 34 N 0.05 1.25 -0.80 3.13 2.07 -0.67 -0.05 116.25 121.24 2k4n h VAL 34 Ca -0.06 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.47 2k4n h VAL 34 Cb 1.77 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 2k4n h VAL 34 CO 0.16 0.38 0.50 -0.25 0.02 0.00 0.00 177.57 178.37 2k4n h TRP 35 N 0.90 0.93 -0.24 1.57 7.01 -0.67 0.13 115.95 125.57 2k4n h TRP 35 Ca 0.18 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 2k4n h TRP 35 Cb 0.45 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2k4n h TRP 35 CO 0.03 0.50 0.10 0.87 -2.79 0.00 0.00 178.44 177.15 2k4n h LYS 36 N 0.94 0.35 -0.64 2.65 6.56 -1.24 0.11 116.57 125.31 2k4n h LYS 36 Ca 0.33 -0.06 0.02 0.00 -1.06 0.00 0.00 60.65 59.89 2k4n h LYS 36 Cb 0.09 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 31.65 2k4n h LYS 36 CO -0.14 0.39 0.40 -0.92 -2.06 0.00 0.00 179.45 177.12 2k4n h TYR 37 N 0.24 0.76 0.00 -1.35 3.20 -0.10 -2.21 116.97 117.50 2k4n h TYR 37 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2k4n h TYR 37 Cb 0.16 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2k4n h TYR 37 CO -0.01 0.45 0.00 1.33 -1.64 0.00 0.00 178.16 178.28 2k4n n VAL 38 N -4.69 0.40 0.00 1.81 0.24 0.36 -4.84 118.33 111.61 2k4n n VAL 38 Ca 0.06 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2k4n n VAL 38 Cb 0.06 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 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 0.74 0.96 3.04 7.63 0.00 -0.83 -4.75 105.19 111.98 2k4n n GLY 39 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2k4n n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k4n n GLU 40 N -1.18 -1.94 -1.20 1.61 1.02 0.37 -5.01 120.64 114.32 2k4n n GLU 40 Ca 0.00 1.77 -0.06 0.00 -0.02 0.00 0.00 57.16 58.85 2k4n n GLU 40 Cb 0.00 -5.18 0.03 0.00 -0.02 0.00 0.00 31.44 26.27 2k4n n GLU 40 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2k4n n PRO 41 N -0.92 0.49 -2.38 3.49 -0.04 -1.26 -5.08 135.00 129.29 2k4n n PRO 41 Ca 0.03 -0.75 -0.36 0.00 -0.04 0.00 0.00 63.50 62.39 2k4n n PRO 41 Cb 0.51 -0.16 -0.02 0.00 -0.04 0.00 0.00 33.50 33.79 2k4n n PRO 41 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k4n s GLU 42 N -3.06 3.74 -0.12 0.54 2.02 -1.26 -5.04 118.70 115.52 2k4n s GLU 42 Ca 0.18 1.58 -0.01 0.00 0.02 0.00 0.00 54.97 56.74 2k4n s GLU 42 Cb -0.01 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 2k4n s GLU 42 CO 0.12 -0.53 -0.09 -0.51 0.02 0.00 0.00 175.26 174.27 2k4n s LEU 43 N -3.27 2.96 -0.05 1.80 1.43 -1.26 -4.82 118.68 115.46 2k4n s LEU 43 Ca 0.66 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 2k4n s LEU 43 Cb -0.23 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2k4n s LEU 43 CO 0.28 0.22 0.29 -0.54 0.23 0.00 0.00 176.35 176.82 2k4n s LYS 44 N 0.04 3.70 -0.01 1.70 1.02 0.26 -4.91 119.74 121.54 2k4n s LYS 44 Ca -0.03 0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.20 2k4n s LYS 44 Cb -0.14 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 2k4n s LYS 44 CO 0.04 0.73 -0.26 0.95 -0.92 0.00 0.00 175.35 175.88 2k4n s THR 45 N -1.07 2.09 0.01 2.17 -4.23 -1.26 0.04 115.64 113.38 2k4n s THR 45 Ca 0.20 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.63 2k4n s THR 45 Cb -0.14 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2k4n s THR 45 CO 0.09 0.54 -0.23 -0.72 -0.54 0.00 0.00 174.62 173.77 2k4n s TYR 46 N -0.65 2.02 -0.44 3.99 1.13 -0.13 -4.95 117.35 118.33 2k4n s TYR 46 Ca 0.10 -0.38 -0.17 0.00 -1.41 0.00 0.00 57.07 55.21 2k4n s TYR 46 Cb -0.10 -1.26 0.03 0.00 -1.10 0.00 0.00 41.96 39.53 2k4n s TYR 46 CO -0.00 0.02 0.44 0.08 -2.51 0.00 0.00 175.55 173.57 2k4n s VAL 47 N -0.63 5.11 -0.07 -3.49 1.01 -1.26 -1.67 120.40 119.39 2k4n s VAL 47 Ca 0.09 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2k4n s VAL 47 Cb -0.09 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2k4n s VAL 47 CO 0.00 -0.49 -0.12 -0.51 0.00 0.00 0.00 175.10 173.98 2k4n s ILE 48 N 2.06 3.22 -0.93 2.22 2.07 -0.92 -4.93 121.20 123.99 2k4n s ILE 48 Ca 0.10 -0.65 -0.15 0.00 -1.41 0.00 0.00 60.65 58.55 2k4n s ILE 48 Cb -0.19 -2.30 0.20 0.00 0.13 0.00 0.00 42.46 40.30 2k4n s ILE 48 CO 0.12 0.58 0.98 -1.61 -1.91 0.00 0.00 174.94 173.09 2k4n s GLU 49 N -0.49 3.73 -0.59 3.50 8.01 -1.26 -0.90 118.70 130.70 2k4n s GLU 49 Ca 0.07 -2.38 -0.19 0.00 0.01 0.00 0.00 54.97 52.48 2k4n s GLU 49 Cb -0.12 -4.64 0.10 0.00 -4.31 0.00 0.00 34.13 25.16 2k4n s GLU 49 CO 0.02 -1.46 0.72 0.16 0.01 0.00 0.00 175.26 174.71 2k4n s ASP 50 N 2.52 6.18 0.39 -0.19 -4.77 -1.02 -4.86 116.67 114.93 2k4n s ASP 50 Ca 0.26 -1.37 -0.23 0.00 -3.30 0.00 0.00 52.55 47.90 2k4n s ASP 50 Cb -0.08 -2.31 -0.10 0.00 -1.09 0.00 0.00 42.92 39.34 2k4n s ASP 50 CO -0.08 -1.14 0.99 -1.61 0.70 0.00 0.00 175.17 174.03 2k4n s GLU 51 N 2.81 4.27 -0.69 2.11 2.02 -1.26 -4.13 118.70 123.82 2k4n s GLU 51 Ca 0.13 1.34 -0.04 0.00 0.02 0.00 0.00 54.97 56.41 2k4n s GLU 51 Cb -0.23 -2.47 0.18 0.00 0.10 0.00 0.00 34.13 31.70 2k4n s GLU 51 CO 0.07 -0.02 0.53 0.42 0.02 0.00 0.00 175.26 176.28 2k4n s ILE 52 N -1.82 4.02 -0.73 -1.63 -1.09 -0.61 -4.91 121.20 114.44 2k4n s ILE 52 Ca 0.58 -3.08 -0.18 0.00 -2.23 0.00 0.00 60.65 55.74 2k4n s ILE 52 Cb -0.17 -3.58 0.14 0.00 -1.58 0.00 0.00 42.46 37.27 2k4n s ILE 52 CO 0.22 -0.93 0.82 -0.69 -1.23 0.00 0.00 174.94 173.13 2k4n s VAL 53 N -0.28 4.97 -0.23 2.92 1.01 -1.25 -3.75 120.40 123.79 2k4n s VAL 53 Ca 0.19 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.60 2k4n s VAL 53 Cb -0.17 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 2k4n s VAL 53 CO -0.05 -1.20 0.18 -1.83 0.00 0.00 0.00 175.10 172.20 2k4n s GLU 54 N 2.13 4.09 1.05 2.72 -1.05 -1.23 -5.00 118.70 121.41 2k4n s GLU 54 Ca 0.18 -0.21 -0.12 0.00 -0.15 0.00 0.00 54.97 54.66 2k4n s GLU 54 Cb -0.16 -3.53 0.22 0.00 -0.44 0.00 0.00 34.13 30.22 2k4n s GLU 54 CO -0.01 0.08 1.07 -2.14 0.95 0.00 0.00 175.26 175.21 2k4n s PRO 55 N 1.01 0.03 -0.30 -4.83 0.02 -1.26 -4.72 135.00 124.95 2k4n s PRO 55 Ca 0.09 0.64 0.18 0.00 0.02 0.00 0.00 61.00 61.92 2k4n s PRO 55 Cb -0.13 -1.68 0.48 0.00 0.02 0.00 0.00 34.50 33.18 2k4n s PRO 55 CO 0.04 -3.03 1.07 0.41 -0.33 0.00 0.00 177.00 175.16 2k4n n GLY 56 N -0.49 2.74 3.48 0.52 0.00 -1.26 -5.03 105.19 105.15 2k4n n GLY 56 Ca 0.05 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 2k4n n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k4n n GLU 57 N -0.44 0.86 0.00 1.61 -0.58 -1.26 -3.89 120.64 116.95 2k4n n GLU 57 Ca 0.16 -1.88 0.00 0.00 -0.42 0.00 0.00 57.16 55.02 2k4n n GLU 57 Cb 0.82 -3.44 0.00 0.00 -0.57 0.00 0.00 31.44 28.25 2k4n n GLU 57 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2k4n n TYR 58 N 13.89 0.00 0.00 -0.32 4.01 -1.26 -5.12 117.16 128.36 2k4n n TYR 58 Ca 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 2k4n n TYR 58 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 2k4n n TYR 58 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k4n n ASP 59 N -0.98 0.00 -4.52 7.72 2.03 -1.25 -5.12 116.55 114.42 2k4n n ASP 59 Ca 0.00 0.00 -0.49 0.00 0.52 0.00 0.00 54.79 54.82 2k4n n ASP 59 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2k4n n ASP 59 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k4n n PRO 60 N 0.00 1.41 0.13 -0.67 -0.04 -1.26 -4.84 135.00 129.73 2k4n n PRO 60 Ca 0.00 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 2k4n n PRO 60 Cb 0.00 -2.64 0.04 0.00 -0.04 0.00 0.00 33.50 30.86 2k4n n PRO 60 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2k4n h PRO 61 N 12.36 0.00 -6.82 0.54 0.13 -2.00 -3.46 132.00 132.74 2k4n h PRO 61 Ca -0.34 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.10 2k4n h PRO 61 Cb 1.30 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.20 2k4n h PRO 61 CO 0.99 0.05 -0.86 -1.21 -0.23 0.00 0.00 178.00 176.75 2k4n s GLU 62 N -3.26 1.59 0.00 0.86 2.02 -1.26 -5.15 118.70 113.50 2k4n s GLU 62 Ca 0.02 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2k4n s GLU 62 Cb 0.08 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2k4n s GLU 62 CO 0.76 0.47 0.00 -1.33 0.02 0.00 0.00 175.26 175.18 2k4n n MET 63 N 1.14 1.57 -2.06 1.61 2.81 -1.26 -4.58 117.12 116.35 2k4n n MET 63 Ca -0.17 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.54 2k4n n MET 63 Cb 0.53 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.01 2k4n n MET 63 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2k4n n LYS 64 N -0.68 -1.35 -3.28 0.03 5.02 -1.26 -4.97 118.16 111.67 2k4n n LYS 64 Ca 0.00 0.94 -0.38 0.00 -2.02 0.00 0.00 58.31 56.85 2k4n n LYS 64 Cb 0.00 -5.35 -0.06 0.00 -0.02 0.00 0.00 35.03 29.60 2k4n n LYS 64 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2k4n s TYR 65 N -2.81 3.48 -0.18 2.13 5.04 -1.26 -5.05 117.35 118.70 2k4n s TYR 65 Ca 0.00 0.88 -0.01 0.00 -2.44 0.00 0.00 57.07 55.50 2k4n s TYR 65 Cb 0.00 -2.60 0.05 0.00 0.35 0.00 0.00 41.96 39.76 2k4n s TYR 65 CO 0.00 0.09 -0.02 0.99 -1.34 0.00 0.00 175.55 175.27 2k4n s THR 66 N 0.89 0.97 0.07 4.34 2.01 -1.26 -5.01 115.64 117.65 2k4n s THR 66 Ca 0.26 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 2k4n s THR 66 Cb -0.15 -1.26 -0.13 0.00 0.01 0.00 0.00 72.50 70.97 2k4n s THR 66 CO 0.10 -0.01 1.35 0.78 -0.69 0.00 0.00 174.62 176.15 2k4n h ASN 67 N 8.14 0.59 -1.01 3.53 4.21 -1.95 -3.39 115.58 125.70 2k4n h ASN 67 Ca -0.20 -0.52 -0.58 0.00 1.21 0.00 0.00 56.30 56.21 2k4n h ASN 67 Cb 1.11 -0.17 -0.09 0.00 -1.12 0.00 0.00 38.32 38.05 2k4n h ASN 67 CO 0.37 1.00 1.54 -0.69 -1.29 0.00 0.00 177.43 178.36 2k4n s VAL 68 N -4.17 3.90 -0.44 2.81 1.01 -1.26 -3.57 120.40 118.69 2k4n s VAL 68 Ca -0.13 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.77 2k4n s VAL 68 Cb 0.07 -4.97 0.04 0.00 0.00 0.00 0.00 36.38 31.52 2k4n s VAL 68 CO 0.80 -1.84 0.34 -0.75 0.00 0.00 0.00 175.10 173.65 2k4n s LYS 69 N 5.08 2.96 -0.44 2.72 2.20 -1.25 -5.03 119.74 125.98 2k4n s LYS 69 Ca 0.50 -1.17 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 2k4n s LYS 69 Cb 0.00 -4.04 0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2k4n s LYS 69 CO -0.05 -0.87 1.11 0.15 -0.36 0.00 0.00 175.35 175.32 2k4n s LYS 70 N 1.66 3.79 -0.47 4.03 1.02 -1.26 -1.57 119.74 126.94 2k4n s LYS 70 Ca 0.04 0.66 -0.12 0.00 0.02 0.00 0.00 55.97 56.57 2k4n s LYS 70 Cb -0.21 -3.87 0.10 0.00 -0.52 0.00 0.00 37.83 33.32 2k4n s LYS 70 CO 0.08 -1.27 0.37 0.08 -0.92 0.00 0.00 175.35 173.69 2k4n s VAL 71 N 4.24 4.71 -0.75 3.17 1.01 -1.26 -4.98 120.40 126.54 2k4n s VAL 71 Ca 0.47 -1.41 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 2k4n s VAL 71 Cb -0.08 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2k4n s VAL 71 CO 0.28 -0.66 1.22 -0.54 0.00 0.00 0.00 175.10 175.40 2k4n s LYS 72 N 1.51 3.21 -0.27 2.72 1.02 -1.26 -2.43 119.74 124.23 2k4n s LYS 72 Ca 0.04 -0.46 -0.13 0.00 0.02 0.00 0.00 55.97 55.43 2k4n s LYS 72 Cb -0.25 -4.30 -0.04 0.00 -0.52 0.00 0.00 37.83 32.72 2k4n s LYS 72 CO 0.03 -2.08 0.30 0.42 -0.92 0.00 0.00 175.35 173.10 2k4n s ILE 73 N 5.27 5.23 -0.64 2.17 -1.09 -0.07 -4.90 121.20 127.17 2k4n s ILE 73 Ca 0.33 0.41 -0.24 0.00 -2.23 0.00 0.00 60.65 58.92 2k4n s ILE 73 Cb -0.09 -3.63 0.05 0.00 -1.58 0.00 0.00 42.46 37.21 2k4n s ILE 73 CO 0.12 0.20 1.03 -0.75 -1.23 0.00 0.00 174.94 174.31 2k4n s LYS 74 N 1.91 3.20 0.16 2.79 2.20 -1.26 -2.17 119.74 126.57 2k4n s LYS 74 Ca 0.12 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 2k4n s LYS 74 Cb -0.16 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 2k4n s LYS 74 CO 0.10 -1.79 0.22 0.15 -0.36 0.00 0.00 175.35 173.67 2k4n s LYS 75 N 4.42 3.21 0.08 4.03 1.02 -0.67 -3.99 119.74 127.84 2k4n s LYS 75 Ca 0.28 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.64 2k4n s LYS 75 Cb -0.13 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2k4n s LYS 75 CO 0.14 0.50 -0.19 0.54 -0.92 0.00 0.00 175.35 175.42 2k4n s VAL 76 N -1.75 2.72 0.03 3.17 0.11 -1.01 -0.95 120.40 122.72 2k4n s VAL 76 Ca 0.33 -1.40 -0.19 0.00 -2.93 0.00 0.00 61.98 57.79 2k4n s VAL 76 Cb -0.11 -2.19 0.04 0.00 -1.53 0.00 0.00 36.38 32.59 2k4n s VAL 76 CO 0.26 0.21 0.44 -0.72 -3.33 0.00 0.00 175.10 171.96 2k4n s TYR 77 N -1.03 -0.31 0.10 1.54 1.13 0.11 -0.78 117.35 118.11 2k4n s TYR 77 Ca 0.16 0.32 0.09 0.00 -1.41 0.00 0.00 57.07 56.23 2k4n s TYR 77 Cb -0.10 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.96 2k4n s TYR 77 CO 0.07 -0.57 -0.22 -0.59 -2.51 0.00 0.00 175.55 171.73 2k4n s PHE 78 N -2.30 1.92 -0.14 -3.49 -0.71 -0.91 -0.57 117.98 111.78 2k4n s PHE 78 Ca -0.06 -0.41 -0.06 0.00 -1.04 0.00 0.00 56.93 55.36 2k4n s PHE 78 Cb -0.01 -1.06 -0.04 0.00 -1.21 0.00 0.00 43.02 40.70 2k4n s PHE 78 CO -0.01 0.23 0.08 -1.21 -1.34 0.00 0.00 175.22 172.97 2k4n s GLU 79 N -1.88 3.59 0.51 1.99 2.02 -1.26 -0.15 118.70 123.51 2k4n s GLU 79 Ca 0.08 -0.27 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 2k4n s GLU 79 Cb -0.10 -3.13 0.10 0.00 0.10 0.00 0.00 34.13 31.10 2k4n s GLU 79 CO 0.04 0.55 0.69 0.25 0.02 0.00 0.00 175.26 176.82 2k4n n THR 80 N 2.68 0.00 0.27 3.63 -2.24 0.20 -4.93 114.28 113.89 2k4n n THR 80 Ca -0.18 -0.94 0.14 0.00 -2.27 0.00 0.00 64.05 60.79 2k4n n THR 80 Cb 0.53 -1.19 0.78 0.00 -2.10 0.00 0.00 70.33 68.35 2k4n n THR 80 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k4n h LEU 81 N 0.00 0.00 -0.18 3.22 7.12 -1.89 -1.47 115.31 122.12 2k4n h LEU 81 Ca -0.23 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.78 2k4n h LEU 81 Cb 0.79 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 2k4n h LEU 81 CO 0.22 0.09 0.00 0.47 -0.13 0.00 0.00 178.44 179.09 2k4n n ASP 82 N -3.65 0.27 0.00 1.25 9.92 -1.26 -4.84 116.55 118.24 2k4n n ASP 82 Ca -0.02 -1.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.03 2k4n n ASP 82 Cb 0.20 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k4n n ASN 83 N -0.73 -2.84 -4.73 -2.24 3.02 -0.55 -4.99 115.26 102.21 2k4n n ASN 83 Ca 0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.35 2k4n n ASN 83 Cb 0.14 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 37.73 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 -1.96 4.80 -0.18 2.41 1.01 -1.26 -4.76 120.40 120.46 2k4n s VAL 84 Ca 0.00 1.74 -0.09 0.00 0.00 0.00 0.00 61.98 63.63 2k4n s VAL 84 Cb 0.00 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2k4n s VAL 84 CO 0.00 0.29 0.11 0.00 0.00 0.00 0.00 175.10 175.49 2k4n s ARG 85 N 0.37 4.01 -0.41 2.72 1.70 -0.30 -0.63 118.95 126.42 2k4n s ARG 85 Ca 0.42 -0.26 -0.19 0.00 -0.47 0.00 0.00 55.73 55.24 2k4n s ARG 85 Cb -0.20 -3.31 0.02 0.00 -0.57 0.00 0.00 34.95 30.88 2k4n s ARG 85 CO 0.24 0.36 0.53 0.08 -1.08 0.00 0.00 175.30 175.42 2k4n s VAL 86 N 0.18 4.97 -0.05 4.99 1.01 0.79 -1.37 120.40 130.93 2k4n s VAL 86 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2k4n s VAL 86 Cb -0.12 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2k4n s VAL 86 CO -0.01 -0.44 0.06 -0.69 0.00 0.00 0.00 175.10 174.02 2k4n s VAL 87 N 2.45 4.65 0.12 2.92 1.01 0.70 -2.15 120.40 130.11 2k4n s VAL 87 Ca 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2k4n s VAL 87 Cb -0.16 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2k4n s VAL 87 CO 0.16 0.47 0.19 1.07 0.00 0.00 0.00 175.10 176.98 2k4n n THR 88 N 1.61 0.00 -2.88 3.92 5.66 0.04 -2.30 114.28 120.34 2k4n n THR 88 Ca -0.16 -0.53 -0.42 0.00 -3.05 0.00 0.00 64.05 59.90 2k4n n THR 88 Cb 0.53 0.36 -0.04 0.00 -1.55 0.00 0.00 70.33 69.63 2k4n n THR 88 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k4n s ASP 89 N -1.71 6.82 0.12 1.09 2.15 -1.26 -2.40 116.67 121.48 2k4n s ASP 89 Ca 0.09 1.00 -0.12 0.00 0.43 0.00 0.00 52.55 53.94 2k4n s ASP 89 Cb -0.01 -2.44 -0.07 0.00 -0.30 0.00 0.00 42.92 40.10 2k4n s ASP 89 CO 0.06 -0.55 1.43 0.22 -0.17 0.00 0.00 175.17 176.17 2k4n h TYR 90 N 7.74 1.04 0.60 -5.34 3.20 -1.88 -2.41 116.97 119.91 2k4n h TYR 90 Ca -0.23 -0.33 -0.02 0.00 3.14 0.00 0.00 58.73 61.29 2k4n h TYR 90 Cb 1.09 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 2k4n h TYR 90 CO 0.76 1.14 -0.35 0.77 -1.64 0.00 0.00 178.16 178.84 2k4n h SER 91 N 0.64 -0.87 0.97 -2.11 0.02 -1.93 -0.96 113.55 109.31 2k4n h SER 91 Ca 0.04 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2k4n h SER 91 Cb 1.00 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 2k4n h SER 91 CO 0.10 -0.56 -0.56 -0.33 -1.14 0.00 0.00 176.83 174.34 2k4n h GLU 92 N -0.89 0.00 -0.19 3.45 5.08 -1.99 -2.30 114.58 117.74 2k4n h GLU 92 Ca -0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k4n h GLU 92 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2k4n h GLU 92 CO 0.09 0.56 0.10 0.35 -1.00 0.00 0.00 179.01 179.11 2k4n h PHE 93 N 0.00 0.27 0.00 4.33 3.57 -1.28 -1.78 116.94 122.04 2k4n h PHE 93 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2k4n h PHE 93 Cb 1.20 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2k4n h PHE 93 CO 0.00 0.26 -0.24 1.96 -2.23 0.00 0.00 178.31 178.06 2k4n h GLN 94 N 0.20 0.00 0.00 1.11 1.08 -1.05 -0.57 115.11 115.88 2k4n h GLN 94 Ca 0.07 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 2k4n h GLN 94 Cb 0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2k4n h GLN 94 CO -0.01 0.24 -0.21 0.87 -0.95 0.00 0.00 178.83 178.76 2k4n h LYS 95 N 0.00 0.00 -0.18 1.46 1.57 -0.90 0.29 116.57 118.82 2k4n h LYS 95 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2k4n h LYS 95 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 2k4n h LYS 95 CO 0.03 0.21 -0.72 0.82 -0.57 0.00 0.00 179.45 179.22 2k4n h ILE 96 N 0.00 1.28 -0.77 1.86 2.04 -0.26 0.27 117.51 121.94 2k4n h ILE 96 Ca -0.00 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.88 2k4n h ILE 96 Cb 0.59 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 2k4n h ILE 96 CO 0.03 0.61 0.31 -0.07 0.00 0.00 0.00 178.15 179.03 2k4n h LEU 97 N 0.55 1.05 -0.89 1.44 -0.00 -1.05 -0.28 115.31 116.13 2k4n h LEU 97 Ca -0.04 -0.16 -0.07 0.00 -0.00 0.00 0.00 57.88 57.61 2k4n h LEU 97 Cb 1.34 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.71 2k4n h LEU 97 CO 0.15 0.93 0.01 0.11 -0.00 0.00 0.00 178.44 179.64 2k4n h LYS 98 N 1.11 0.83 -0.19 1.13 1.79 -0.82 0.21 116.57 120.63 2k4n h LYS 98 Ca 0.26 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2k4n h LYS 98 Cb 0.21 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2k4n h LYS 98 CO -0.02 0.82 0.08 -0.22 -1.08 0.00 0.00 179.45 179.03 2k4n h LYS 99 N 0.77 0.29 -0.10 3.15 3.64 0.28 -2.88 116.57 121.72 2k4n h LYS 99 Ca 0.15 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 2k4n h LYS 99 Cb 0.45 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2k4n h LYS 99 CO 0.02 0.35 -0.62 -0.09 -2.27 0.00 0.00 179.45 176.83 2k4n h ARG 100 N 0.16 0.37 -0.32 1.90 2.43 -1.03 -3.48 114.38 114.42 2k4n h ARG 100 Ca 0.06 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2k4n h ARG 100 Cb 0.17 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2k4n h ARG 100 CO -0.01 0.87 0.00 0.41 -1.51 0.00 0.00 179.97 179.74 2k4n n GLY 101 N 0.34 0.94 0.13 2.80 0.00 0.49 -5.00 105.19 104.88 2k4n n GLY 101 Ca -0.03 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.84 2k4n n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k4n h THR 102 N 0.00 0.56 -3.65 2.61 2.02 -1.13 -3.41 112.91 109.91 2k4n h THR 102 Ca 0.00 -1.87 -0.68 0.00 0.77 0.00 0.00 66.41 64.63 2k4n h THR 102 Cb 0.29 2.15 -0.36 0.00 -1.74 0.00 0.00 68.15 68.49 2k4n h THR 102 CO 0.00 0.32 -0.66 -0.54 0.37 0.00 0.00 175.52 175.01 2k4n s LYS 103 N -3.02 2.00 0.14 6.66 1.02 -1.25 -5.06 119.74 120.21 2k4n s LYS 103 Ca 0.02 -1.64 -0.24 0.00 0.02 0.00 0.00 55.97 54.13 2k4n s LYS 103 Cb 0.08 -3.31 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 2k4n s LYS 103 CO 0.76 -0.87 0.72 -0.51 -0.92 0.00 0.00 175.35 174.53 2k4n s LEU 104 N 1.10 4.57 0.00 3.17 1.43 -1.26 -4.83 118.68 122.86 2k4n s LEU 104 Ca 0.04 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2k4n s LEU 104 Cb -0.21 -3.18 0.10 0.00 0.03 0.00 0.00 46.19 42.93 2k4n s LEU 104 CO -0.04 0.22 0.70 -0.62 0.23 0.00 0.00 176.35 176.84 2k4n n GLU 105 N 1.68 0.13 0.11 1.70 4.71 -1.26 -4.99 120.64 122.72 2k4n n GLU 105 Ca -0.07 -1.94 0.13 0.00 -0.01 0.00 0.00 57.16 55.27 2k4n n GLU 105 Cb 0.49 -0.46 0.43 0.00 -1.01 0.00 0.00 31.44 30.89 2k4n n GLU 105 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2k4n n HIS 106 N -2.40 0.90 -0.74 -0.32 -0.00 -1.26 -3.70 115.22 107.69 2k4n n HIS 106 Ca 0.12 0.28 -0.08 0.00 -0.00 0.00 0.00 57.72 58.04 2k4n n HIS 106 Cb 0.42 -0.96 -0.02 0.00 -0.00 0.00 0.00 29.99 29.43 2k4n n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k4n n HIS 107 N -2.25 0.47 0.00 1.57 -0.00 -1.26 -3.45 115.22 110.30 2k4n n HIS 107 Ca 0.05 -1.38 0.00 0.00 -0.00 0.00 0.00 57.72 56.39 2k4n n HIS 107 Cb 0.39 -0.85 0.00 0.00 -0.00 0.00 0.00 29.99 29.53 2k4n n HIS 107 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k4n n HIS 108 N 1.35 0.00 0.16 1.57 8.25 -1.24 -4.77 115.22 120.54 2k4n n HIS 108 Ca 0.18 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 2k4n n HIS 108 Cb 0.59 0.02 0.24 0.00 1.12 0.00 0.00 29.99 31.96 2k4n n HIS 108 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k4n h HIS 109 N 0.00 0.00 -3.49 4.41 2.76 -1.82 -3.41 115.15 113.61 2k4n h HIS 109 Ca 0.00 0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 57.50 2k4n h HIS 109 Cb 0.48 0.00 -0.29 0.00 1.55 0.00 0.00 27.41 29.16 2k4n h HIS 109 CO 0.00 0.52 -0.81 -1.58 -1.30 0.00 0.00 177.93 174.76 2k4n s HIS 110 N -3.69 2.69 -2.67 5.26 5.65 -1.25 -5.22 115.29 116.07 2k4n s HIS 110 Ca -0.01 -0.70 0.27 0.00 0.25 0.00 0.00 55.06 54.86 2k4n s HIS 110 Cb 0.12 -1.76 0.75 0.00 -1.18 0.00 0.00 32.58 30.52 2k4n s HIS 110 CO 0.74 -0.22 1.58 1.58 -0.65 0.00 0.00 174.74 177.76