#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 1.07 0.36 3.17 -0.87 -1.26 -4.60 114.94 112.80 2k4n s ASN 2 Ca 0.00 -1.48 0.05 0.00 -1.57 0.00 0.00 52.86 49.86 2k4n s ASN 2 Cb 0.00 0.34 0.67 0.00 -0.02 0.00 0.00 41.25 42.24 2k4n s ASN 2 CO 0.00 -0.84 1.93 0.28 -2.57 0.00 0.00 177.10 175.89 2k4n h SER 3 N 2.37 0.48 -0.10 -1.22 0.02 -1.97 -1.42 113.55 111.71 2k4n h SER 3 Ca -0.35 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.43 2k4n h SER 3 Cb 1.25 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2k4n h SER 3 CO 0.53 0.50 -0.27 -0.33 -1.14 0.00 0.00 176.83 176.13 2k4n h GLU 4 N 0.52 0.55 -0.34 3.45 3.07 -1.99 -2.34 114.58 117.50 2k4n h GLU 4 Ca 0.12 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 2k4n h GLU 4 Cb 0.22 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 2k4n h GLU 4 CO -0.00 0.77 -0.04 0.28 -1.40 0.00 0.00 179.01 178.62 2k4n h VAL 5 N 0.48 1.21 -0.41 3.13 2.07 -1.67 0.12 116.25 121.18 2k4n h VAL 5 Ca 0.07 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 2k4n h VAL 5 Cb 0.71 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2k4n h VAL 5 CO 0.05 0.30 0.15 0.40 0.02 0.00 0.00 177.57 178.49 2k4n h ILE 6 N 0.52 1.20 -0.37 4.57 2.04 -1.07 -1.62 117.51 122.79 2k4n h ILE 6 Ca 0.11 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2k4n h ILE 6 Cb 0.39 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2k4n h ILE 6 CO 0.02 0.23 0.24 0.11 0.00 0.00 0.00 178.15 178.75 2k4n h LYS 7 N 0.51 0.47 -0.47 2.37 1.57 -0.84 -0.52 116.57 119.67 2k4n h LYS 7 Ca 0.13 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.98 2k4n h LYS 7 Cb 0.22 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 2k4n h LYS 7 CO -0.01 0.31 -0.08 0.93 -0.57 0.00 0.00 179.45 180.03 2k4n h GLU 8 N 0.49 0.03 -0.55 3.15 4.39 -0.60 0.27 114.58 121.76 2k4n h GLU 8 Ca 0.14 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2k4n h GLU 8 Cb -0.05 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2k4n h GLU 8 CO -0.04 0.02 0.26 0.35 -1.16 0.00 0.00 179.01 178.45 2k4n h PHE 9 N 0.03 0.79 -0.24 4.33 3.57 -0.85 -0.85 116.94 123.73 2k4n h PHE 9 Ca 0.23 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 2k4n h PHE 9 Cb 0.35 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2k4n h PHE 9 CO -0.37 0.62 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.84 2k4n h LEU 10 N 0.74 0.60 -0.77 0.59 3.38 -0.35 -1.87 115.31 117.63 2k4n h LEU 10 Ca 0.19 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2k4n h LEU 10 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2k4n h LEU 10 CO -0.02 0.95 -0.49 -0.33 0.09 0.00 0.00 178.44 178.64 2k4n h GLU 11 N 0.47 0.32 0.33 1.13 5.08 -0.32 0.32 114.58 121.91 2k4n h GLU 11 Ca 0.04 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2k4n h GLU 11 Cb 0.92 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2k4n h GLU 11 CO 0.08 0.74 -0.16 0.22 -1.00 0.00 0.00 179.01 178.89 2k4n h ASP 12 N 0.25 -0.38 0.96 1.42 3.58 -0.77 -2.97 116.42 118.51 2k4n h ASP 12 Ca 0.01 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.33 2k4n h ASP 12 Cb 0.95 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2k4n h ASP 12 CO 0.08 -0.16 -0.28 0.16 -2.88 0.00 0.00 179.24 176.16 2k4n h ILE 13 N -0.58 0.65 -1.09 2.25 3.07 -1.36 -3.47 117.51 116.98 2k4n h ILE 13 Ca -0.05 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.07 2k4n h ILE 13 Cb 0.43 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 2k4n h ILE 13 CO 0.07 0.27 0.00 0.61 -1.05 0.00 0.00 178.15 178.06 2k4n n GLY 14 N 0.27 0.59 3.82 0.16 0.00 0.35 -5.10 105.19 105.29 2k4n n GLY 14 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2k4n n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k4n n GLU 15 N -0.54 0.68 -5.08 1.61 -0.58 0.85 -5.01 120.64 112.57 2k4n n GLU 15 Ca 0.00 -3.52 -0.30 0.00 -0.42 0.00 0.00 57.16 52.92 2k4n n GLU 15 Cb 0.31 0.47 -0.17 0.00 -0.57 0.00 0.00 31.44 31.48 2k4n n GLU 15 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2k4n s ASP 16 N -4.19 2.78 0.04 1.62 2.15 -1.26 -4.68 116.67 113.13 2k4n s ASP 16 Ca 0.27 -0.49 0.08 0.00 0.43 0.00 0.00 52.55 52.83 2k4n s ASP 16 Cb -0.02 -1.19 -0.03 0.00 -0.30 0.00 0.00 42.92 41.38 2k4n s ASP 16 CO 0.17 0.14 -0.23 -0.72 -0.17 0.00 0.00 175.17 174.37 2k4n s TYR 17 N 0.33 1.99 -0.65 -5.34 -0.85 -1.26 -4.67 117.35 106.90 2k4n s TYR 17 Ca -0.16 -0.39 -0.21 0.00 -0.52 0.00 0.00 57.07 55.79 2k4n s TYR 17 Cb -0.17 -1.19 0.08 0.00 0.38 0.00 0.00 41.96 41.07 2k4n s TYR 17 CO 0.07 0.10 0.89 0.42 -1.52 0.00 0.00 175.55 175.51 2k4n s ILE 18 N -0.79 4.48 -0.49 -3.49 1.01 -0.41 -4.97 121.20 116.54 2k4n s ILE 18 Ca 0.09 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2k4n s ILE 18 Cb -0.09 -4.63 0.04 0.00 0.01 0.00 0.00 42.46 37.79 2k4n s ILE 18 CO 0.02 -1.36 0.67 -0.70 0.00 0.00 0.00 174.94 173.56 2k4n s GLU 19 N 3.62 3.19 0.36 2.79 2.12 -1.26 -0.26 118.70 129.26 2k4n s GLU 19 Ca 0.19 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.95 2k4n s GLU 19 Cb -0.19 -4.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.11 2k4n s GLU 19 CO 0.08 -1.18 0.14 -0.51 -0.54 0.00 0.00 175.26 173.25 2k4n s LEU 20 N 2.85 3.19 -0.33 2.70 1.43 0.16 -5.01 118.68 123.67 2k4n s LEU 20 Ca 0.19 -0.87 -0.27 0.00 -1.03 0.00 0.00 54.13 52.15 2k4n s LEU 20 Cb -0.17 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 2k4n s LEU 20 CO 0.15 -0.36 2.28 -1.61 0.23 0.00 0.00 176.35 177.05 2k4n s GLU 21 N -3.85 2.72 -0.61 1.70 2.02 -1.26 -1.20 118.70 118.21 2k4n s GLU 21 Ca 0.38 1.76 0.00 0.00 0.02 0.00 0.00 54.97 57.13 2k4n s GLU 21 Cb -0.01 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.77 2k4n s GLU 21 CO 0.22 -2.58 0.00 0.09 0.02 0.00 0.00 175.26 173.02 2k4n n ASN 22 N 13.36 -4.55 -3.67 -0.19 4.13 -1.26 -4.98 115.26 118.11 2k4n n ASN 22 Ca 0.32 0.14 -0.24 0.00 1.68 0.00 0.00 54.58 56.48 2k4n n ASN 22 Cb 0.49 -2.56 -0.17 0.00 -1.54 0.00 0.00 39.78 36.00 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 -2.04 0.20 -0.43 3.52 2.02 -0.34 -0.28 118.70 121.34 2k4n s GLU 23 Ca 0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 54.97 54.88 2k4n s GLU 23 Cb 0.00 -1.45 0.08 0.00 0.10 0.00 0.00 34.13 32.86 2k4n s GLU 23 CO 0.00 -0.54 0.29 0.42 0.02 0.00 0.00 175.26 175.46 2k4n s ILE 24 N 2.08 4.44 -0.33 -1.63 1.01 0.20 0.40 121.20 127.36 2k4n s ILE 24 Ca 0.03 -1.34 -0.19 0.00 0.00 0.00 0.00 60.65 59.14 2k4n s ILE 24 Cb -0.15 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 2k4n s ILE 24 CO -0.07 -0.53 0.59 -1.00 0.00 0.00 0.00 174.94 173.93 2k4n s HIS 25 N 1.47 3.18 0.14 3.97 3.76 0.64 -0.24 115.29 128.21 2k4n s HIS 25 Ca 0.03 0.38 0.04 0.00 -0.15 0.00 0.00 55.06 55.36 2k4n s HIS 25 Cb -0.23 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 2k4n s HIS 25 CO 0.03 -0.54 0.13 -0.51 -0.85 0.00 0.00 174.74 173.00 2k4n s LEU 26 N 2.56 3.85 0.12 0.89 1.43 -0.23 -1.29 118.68 126.01 2k4n s LEU 26 Ca 0.23 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 2k4n s LEU 26 Cb -0.15 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 2k4n s LEU 26 CO 0.13 0.09 1.06 -0.54 0.23 0.00 0.00 176.35 177.32 2k4n s LYS 27 N -2.94 4.59 0.27 1.70 1.02 -1.26 -4.54 119.74 118.58 2k4n s LYS 27 Ca 0.31 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.91 2k4n s LYS 27 Cb -0.11 -3.34 0.61 0.00 -0.52 0.00 0.00 37.83 34.48 2k4n s LYS 27 CO 0.23 0.05 1.69 -1.00 -0.92 0.00 0.00 175.35 175.40 2k4n h PRO 28 N 5.74 0.34 -0.60 -1.68 0.13 -1.95 0.25 132.00 134.24 2k4n h PRO 28 Ca -0.43 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 2k4n h PRO 28 Cb 1.21 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2k4n h PRO 28 CO 0.74 0.23 0.40 0.93 -0.23 0.00 0.00 178.00 180.06 2k4n h GLU 29 N 0.35 0.53 0.02 0.86 4.39 -1.93 -2.57 114.58 116.22 2k4n h GLU 29 Ca 0.50 -0.03 -0.34 0.00 0.34 0.00 0.00 59.36 59.83 2k4n h GLU 29 Cb 0.90 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 2k4n h GLU 29 CO -0.52 0.35 -2.05 0.28 -1.16 0.00 0.00 179.01 175.91 2k4n n VAL 30 N -4.48 1.55 -0.15 3.13 0.31 0.03 -4.16 118.33 114.57 2k4n n VAL 30 Ca 0.09 -0.78 0.09 0.00 -0.01 0.00 0.00 64.34 63.73 2k4n n VAL 30 Cb 0.27 -0.96 0.42 0.00 -0.91 0.00 0.00 33.84 32.65 2k4n n VAL 30 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2k4n h PHE 31 N 0.01 0.63 -0.44 3.52 3.57 -0.23 -1.40 116.94 122.59 2k4n h PHE 31 Ca -0.42 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.13 2k4n h PHE 31 Cb 2.09 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.60 2k4n h PHE 31 CO 0.01 0.31 0.29 -0.92 -2.23 0.00 0.00 178.31 175.77 2k4n h TYR 32 N 0.60 0.46 0.07 0.41 3.20 -1.63 0.28 116.97 120.36 2k4n h TYR 32 Ca 0.31 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.02 2k4n h TYR 32 Cb 0.42 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.55 2k4n h TYR 32 CO -0.00 0.27 -0.71 0.93 -1.64 0.00 0.00 178.16 177.01 2k4n h GLU 33 N 0.48 0.35 -0.51 1.82 5.08 -1.49 -3.25 114.58 117.07 2k4n h GLU 33 Ca 0.18 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2k4n h GLU 33 Cb 0.11 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2k4n h GLU 33 CO -0.04 1.18 0.11 0.28 -1.00 0.00 0.00 179.01 179.54 2k4n h VAL 34 N -0.24 1.22 -0.59 3.13 2.07 -1.11 -0.96 116.25 119.77 2k4n h VAL 34 Ca -0.11 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2k4n h VAL 34 Cb 1.48 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 2k4n h VAL 34 CO 0.14 0.29 0.26 -0.25 0.02 0.00 0.00 177.57 178.03 2k4n h TRP 35 N 0.75 0.47 0.05 1.57 7.01 -0.54 -1.01 115.95 124.24 2k4n h TRP 35 Ca 0.17 0.03 -0.23 0.00 2.11 0.00 0.00 58.89 60.96 2k4n h TRP 35 Cb 0.29 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 2k4n h TRP 35 CO 0.02 0.17 -1.03 0.87 -2.79 0.00 0.00 178.44 175.68 2k4n h LYS 36 N 0.48 0.20 -0.79 2.65 1.57 -1.51 0.18 116.57 119.34 2k4n h LYS 36 Ca 0.28 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2k4n h LYS 36 Cb 0.28 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 2k4n h LYS 36 CO -0.24 1.06 0.52 -0.92 -0.57 0.00 0.00 179.45 179.30 2k4n h TYR 37 N 0.08 0.91 -0.29 -1.35 3.20 -0.53 -0.84 116.97 118.14 2k4n h TYR 37 Ca -0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2k4n h TYR 37 Cb 1.72 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.69 2k4n h TYR 37 CO 0.04 0.50 0.00 1.33 -1.64 0.00 0.00 178.16 178.39 2k4n n VAL 38 N -4.47 0.38 -0.01 1.81 0.24 -0.45 -4.88 118.33 110.96 2k4n n VAL 38 Ca 0.11 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2k4n n VAL 38 Cb 0.17 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 1.10 0.99 3.31 7.63 0.00 -0.32 -4.59 105.19 113.31 2k4n n GLY 39 Ca 0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.01 -1.45 -1.75 1.61 1.02 0.64 -4.98 120.64 113.70 2k4n n GLU 40 Ca 0.00 1.14 -0.30 0.00 -0.02 0.00 0.00 57.16 57.98 2k4n n GLU 40 Cb 0.00 -4.82 0.05 0.00 -0.02 0.00 0.00 31.44 26.64 2k4n n GLU 40 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2k4n s PRO 41 N -3.93 2.86 0.30 3.49 0.02 -1.26 -5.02 135.00 131.45 2k4n s PRO 41 Ca 0.11 0.64 -0.29 0.00 0.02 0.00 0.00 61.00 61.48 2k4n s PRO 41 Cb -0.03 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 2k4n s PRO 41 CO 0.79 -1.08 1.26 -1.21 -0.33 0.00 0.00 177.00 176.43 2k4n s GLU 42 N -5.22 4.43 -0.11 5.54 2.02 -1.26 -5.01 118.70 119.09 2k4n s GLU 42 Ca 0.58 2.08 -0.01 0.00 0.02 0.00 0.00 54.97 57.65 2k4n s GLU 42 Cb -0.12 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 2k4n s GLU 42 CO 0.53 -0.10 -0.08 -0.51 0.02 0.00 0.00 175.26 175.13 2k4n s LEU 43 N -1.41 3.06 -0.10 1.80 1.43 -1.26 -4.83 118.68 117.37 2k4n s LEU 43 Ca 0.49 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2k4n s LEU 43 Cb -0.37 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2k4n s LEU 43 CO 0.47 0.25 0.05 -0.75 0.23 0.00 0.00 176.35 176.60 2k4n s LYS 44 N -0.14 3.21 -0.07 1.70 2.20 -0.47 -4.93 119.74 121.24 2k4n s LYS 44 Ca 0.01 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.29 2k4n s LYS 44 Cb -0.13 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 2k4n s LYS 44 CO 0.03 0.69 0.02 0.95 -0.36 0.00 0.00 175.35 176.67 2k4n s THR 45 N -0.81 4.41 0.15 3.43 -4.23 -1.26 -0.39 115.64 116.94 2k4n s THR 45 Ca 0.13 -0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.45 2k4n s THR 45 Cb -0.12 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 2k4n s THR 45 CO 0.03 0.56 -0.19 -0.72 -0.54 0.00 0.00 174.62 173.75 2k4n s TYR 46 N -0.94 1.83 -0.29 3.99 1.13 0.73 -4.97 117.35 118.84 2k4n s TYR 46 Ca 0.15 -0.45 -0.04 0.00 -1.41 0.00 0.00 57.07 55.32 2k4n s TYR 46 Cb -0.11 -0.94 0.03 0.00 -1.10 0.00 0.00 41.96 39.83 2k4n s TYR 46 CO 0.04 0.30 0.02 0.08 -2.51 0.00 0.00 175.55 173.48 2k4n s VAL 47 N -1.78 3.40 -0.43 -3.49 1.01 -1.26 -0.94 120.40 116.91 2k4n s VAL 47 Ca 0.13 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2k4n s VAL 47 Cb -0.07 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.58 2k4n s VAL 47 CO 0.06 0.06 0.29 -0.51 0.00 0.00 0.00 175.10 175.00 2k4n s ILE 48 N 1.39 4.53 -0.32 2.22 2.07 -0.05 -4.91 121.20 126.12 2k4n s ILE 48 Ca -0.00 -1.25 -0.24 0.00 -1.41 0.00 0.00 60.65 57.74 2k4n s ILE 48 Cb -0.18 -3.73 0.01 0.00 0.13 0.00 0.00 42.46 38.69 2k4n s ILE 48 CO -0.00 -0.50 0.84 -0.70 -1.91 0.00 0.00 174.94 172.67 2k4n s GLU 49 N 1.50 3.95 0.05 3.50 2.12 -1.26 -0.81 118.70 127.74 2k4n s GLU 49 Ca 0.03 0.63 0.04 0.00 0.36 0.00 0.00 54.97 56.03 2k4n s GLU 49 Cb -0.23 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 2k4n s GLU 49 CO 0.04 -0.75 -0.02 0.34 -0.54 0.00 0.00 175.26 174.33 2k4n s ASP 50 N 1.66 4.93 -0.29 -1.70 2.15 -0.11 -4.91 116.67 118.40 2k4n s ASP 50 Ca 0.35 -0.13 -0.10 0.00 0.43 0.00 0.00 52.55 53.09 2k4n s ASP 50 Cb -0.14 -1.19 -0.02 0.00 -0.30 0.00 0.00 42.92 41.27 2k4n s ASP 50 CO 0.14 0.23 0.15 -1.61 -0.17 0.00 0.00 175.17 173.91 2k4n s GLU 51 N -1.90 3.57 -0.06 4.34 2.02 -1.26 -0.40 118.70 125.01 2k4n s GLU 51 Ca 0.22 -0.56 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 2k4n s GLU 51 Cb -0.11 -3.56 -0.05 0.00 0.10 0.00 0.00 34.13 30.51 2k4n s GLU 51 CO 0.13 -0.32 0.56 -1.50 0.02 0.00 0.00 175.26 174.16 2k4n s ILE 52 N 1.66 5.05 0.09 -1.63 1.10 0.68 -4.87 121.20 123.28 2k4n s ILE 52 Ca 0.06 1.16 -0.16 0.00 -0.51 0.00 0.00 60.65 61.19 2k4n s ILE 52 Cb -0.16 -3.90 -0.07 0.00 0.15 0.00 0.00 42.46 38.48 2k4n s ILE 52 CO 0.07 0.35 0.52 -0.69 -2.11 0.00 0.00 174.94 173.09 2k4n s VAL 53 N 0.31 4.85 0.09 4.00 1.01 -1.26 -2.11 120.40 127.28 2k4n s VAL 53 Ca 0.30 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 63.04 2k4n s VAL 53 Cb -0.17 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 2k4n s VAL 53 CO 0.14 0.44 0.65 -0.70 0.00 0.00 0.00 175.10 175.63 2k4n s GLU 54 N -1.44 4.34 -0.30 2.72 2.12 -1.26 -4.92 118.70 119.97 2k4n s GLU 54 Ca 0.31 0.88 -0.26 0.00 0.36 0.00 0.00 54.97 56.26 2k4n s GLU 54 Cb -0.17 -3.27 -0.11 0.00 0.26 0.00 0.00 34.13 30.84 2k4n s GLU 54 CO 0.18 0.56 1.27 -2.30 -0.54 0.00 0.00 175.26 174.43 2k4n n PRO 55 N 1.88 0.00 -2.44 4.30 -0.02 -1.26 -4.83 135.00 132.63 2k4n n PRO 55 Ca -0.08 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.36 2k4n n PRO 55 Cb 0.50 -0.89 0.05 0.00 -0.02 0.00 0.00 33.50 33.13 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 4.42 2.68 0.18 -1.23 0.00 -1.26 -4.82 105.19 105.16 2k4n n GLY 56 Ca 0.32 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 45.00 2k4n n GLY 56 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k4n h GLU 57 N 2.27 0.05 0.00 1.61 4.81 -2.03 -3.44 114.58 117.85 2k4n h GLU 57 Ca -0.05 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.79 2k4n h GLU 57 Cb 1.39 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.70 2k4n h GLU 57 CO 0.27 0.48 -0.28 0.66 -0.73 0.00 0.00 179.01 179.41 2k4n n TYR 58 N -4.02 0.41 -3.98 0.92 4.01 -1.26 -5.16 117.16 108.09 2k4n n TYR 58 Ca -0.02 -1.50 -0.33 0.00 -0.16 0.00 0.00 57.90 55.89 2k4n n TYR 58 Cb 0.47 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 2k4n n TYR 58 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2k4n s ASP 59 N -2.57 6.10 0.78 7.72 1.01 -1.26 -5.10 116.67 123.35 2k4n s ASP 59 Ca 0.06 0.26 -0.11 0.00 0.71 0.00 0.00 52.55 53.47 2k4n s ASP 59 Cb 0.00 -1.85 0.06 0.00 1.01 0.00 0.00 42.92 42.14 2k4n s ASP 59 CO 0.04 0.26 1.09 -2.84 0.21 0.00 0.00 175.17 173.92 2k4n s PRO 60 N -1.92 2.24 0.52 8.23 0.02 -1.26 -4.95 135.00 137.87 2k4n s PRO 60 Ca 0.26 1.06 0.28 0.00 0.02 0.00 0.00 61.00 62.62 2k4n s PRO 60 Cb -0.12 -1.90 1.41 0.00 0.02 0.00 0.00 34.50 33.90 2k4n s PRO 60 CO 0.18 -1.62 2.04 -1.35 -0.33 0.00 0.00 177.00 175.92 2k4n h PRO 61 N -1.11 0.00 -6.79 5.54 0.11 -1.99 -3.44 132.00 124.33 2k4n h PRO 61 Ca -0.45 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.22 2k4n h PRO 61 Cb 1.24 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.39 2k4n h PRO 61 CO 0.53 0.12 -0.05 -1.21 -0.21 0.00 0.00 178.00 177.18 2k4n s GLU 62 N -4.08 2.74 -0.24 1.05 2.02 -1.26 -5.01 118.70 113.93 2k4n s GLU 62 Ca -0.02 -0.66 0.11 0.00 0.02 0.00 0.00 54.97 54.42 2k4n s GLU 62 Cb 0.12 -2.51 0.72 0.00 0.10 0.00 0.00 34.13 32.56 2k4n s GLU 62 CO 0.58 -0.55 1.65 -1.33 0.02 0.00 0.00 175.26 175.63 2k4n n MET 63 N -2.25 4.17 -4.85 1.61 2.81 -1.26 -4.90 117.12 112.45 2k4n n MET 63 Ca 0.05 -2.81 -0.29 0.00 -1.81 0.00 0.00 57.70 52.84 2k4n n MET 63 Cb 0.59 -2.17 -0.15 0.00 -0.71 0.00 0.00 33.22 30.78 2k4n n MET 63 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k4n s LYS 64 N -2.63 1.71 0.00 0.03 1.02 -1.26 -5.13 119.74 113.48 2k4n s LYS 64 Ca 0.49 -1.08 0.04 0.00 0.02 0.00 0.00 55.97 55.43 2k4n s LYS 64 Cb 0.38 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.78 2k4n s LYS 64 CO 0.14 0.49 -0.08 0.71 -0.92 0.00 0.00 175.35 175.68 2k4n s TYR 65 N -0.81 2.86 0.70 3.18 1.51 -1.26 -4.91 117.35 118.61 2k4n s TYR 65 Ca 0.11 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 56.11 2k4n s TYR 65 Cb -0.10 -1.60 0.14 0.00 -0.11 0.00 0.00 41.96 40.29 2k4n s TYR 65 CO 0.02 0.36 0.96 0.25 -1.11 0.00 0.00 175.55 176.03 2k4n n THR 66 N 1.57 0.00 -2.86 -0.71 -2.24 -1.26 -5.11 114.28 103.68 2k4n n THR 66 Ca -0.16 -1.51 -0.22 0.00 -2.27 0.00 0.00 64.05 59.89 2k4n n THR 66 Cb 0.52 -0.91 0.02 0.00 -2.10 0.00 0.00 70.33 67.86 2k4n n THR 66 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2k4n s ASN 67 N -4.90 5.65 0.51 3.42 0.01 -1.26 -5.08 114.94 113.29 2k4n s ASN 67 Ca 0.63 0.20 -0.17 0.00 -0.71 0.00 0.00 52.86 52.81 2k4n s ASN 67 Cb -0.04 -1.32 -0.08 0.00 0.41 0.00 0.00 41.25 40.22 2k4n s ASN 67 CO 0.42 -0.85 0.99 -0.69 -1.51 0.00 0.00 177.10 175.46 2k4n s VAL 68 N -2.63 4.44 -0.33 1.60 1.01 -1.26 -4.89 120.40 118.34 2k4n s VAL 68 Ca 0.51 1.22 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 2k4n s VAL 68 Cb -0.10 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2k4n s VAL 68 CO 0.38 -0.62 0.23 -0.75 0.00 0.00 0.00 175.10 174.34 2k4n s LYS 69 N -3.95 3.60 -0.03 2.72 2.20 -0.90 -4.96 119.74 118.42 2k4n s LYS 69 Ca 0.60 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 55.39 2k4n s LYS 69 Cb -0.10 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 2k4n s LYS 69 CO 0.29 -0.38 0.77 0.15 -0.36 0.00 0.00 175.35 175.82 2k4n s LYS 70 N 1.73 4.47 -0.12 4.03 1.02 -1.26 -0.23 119.74 129.38 2k4n s LYS 70 Ca 0.06 1.02 -0.00 0.00 0.02 0.00 0.00 55.97 57.07 2k4n s LYS 70 Cb -0.17 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2k4n s LYS 70 CO 0.11 0.09 -0.10 0.14 -0.92 0.00 0.00 175.35 174.66 2k4n s VAL 71 N 0.67 1.20 -0.35 3.17 -7.23 0.47 -4.95 120.40 113.38 2k4n s VAL 71 Ca 0.40 -0.40 -0.28 0.00 -1.81 0.00 0.00 61.98 59.90 2k4n s VAL 71 Cb -0.19 -1.18 0.02 0.00 0.56 0.00 0.00 36.38 35.59 2k4n s VAL 71 CO 0.21 0.40 1.02 -0.54 -0.31 0.00 0.00 175.10 175.88 2k4n s LYS 72 N 1.62 3.96 -0.42 4.82 1.02 -1.26 -0.93 119.74 128.55 2k4n s LYS 72 Ca 0.05 0.85 -0.18 0.00 0.02 0.00 0.00 55.97 56.71 2k4n s LYS 72 Cb -0.13 -3.77 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 2k4n s LYS 72 CO -0.09 -0.95 0.50 0.42 -0.92 0.00 0.00 175.35 174.31 2k4n s ILE 73 N 3.64 5.01 -0.34 2.17 1.01 0.01 -4.93 121.20 127.77 2k4n s ILE 73 Ca 0.43 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.71 2k4n s ILE 73 Cb -0.12 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2k4n s ILE 73 CO 0.18 -0.45 0.66 -0.75 0.00 0.00 0.00 174.94 174.58 2k4n s LYS 74 N 2.34 3.75 0.37 2.79 2.20 -1.26 -0.87 119.74 129.06 2k4n s LYS 74 Ca 0.15 0.17 0.08 0.00 -0.36 0.00 0.00 55.97 56.02 2k4n s LYS 74 Cb -0.16 -3.79 -0.07 0.00 -1.51 0.00 0.00 37.83 32.31 2k4n s LYS 74 CO 0.15 -0.71 -0.00 0.15 -0.36 0.00 0.00 175.35 174.58 2k4n s LYS 75 N 2.75 1.98 0.10 4.03 1.02 -0.12 -3.20 119.74 126.30 2k4n s LYS 75 Ca 0.26 -1.93 0.08 0.00 0.02 0.00 0.00 55.97 54.39 2k4n s LYS 75 Cb -0.14 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 2k4n s LYS 75 CO 0.14 0.05 -0.20 0.54 -0.92 0.00 0.00 175.35 174.97 2k4n s VAL 76 N -2.62 1.60 0.19 3.17 0.11 0.52 -0.19 120.40 123.18 2k4n s VAL 76 Ca 0.35 -1.50 -0.17 0.00 -2.93 0.00 0.00 61.98 57.73 2k4n s VAL 76 Cb 0.04 -1.47 0.03 0.00 -1.53 0.00 0.00 36.38 33.45 2k4n s VAL 76 CO 0.18 -0.10 0.51 -0.72 -3.33 0.00 0.00 175.10 171.64 2k4n s TYR 77 N -1.20 -0.08 0.07 1.54 1.13 0.47 -0.03 117.35 119.24 2k4n s TYR 77 Ca 0.05 -0.26 0.03 0.00 -1.41 0.00 0.00 57.07 55.48 2k4n s TYR 77 Cb -0.10 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 41.09 2k4n s TYR 77 CO 0.04 -0.90 -0.09 -0.59 -2.51 0.00 0.00 175.55 171.50 2k4n s PHE 78 N -3.88 0.85 -0.21 -3.49 -0.71 -0.91 -1.37 117.98 108.26 2k4n s PHE 78 Ca 0.10 -0.59 -0.09 0.00 -1.04 0.00 0.00 56.93 55.31 2k4n s PHE 78 Cb -0.01 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 2k4n s PHE 78 CO -0.03 -0.06 0.10 -1.21 -1.34 0.00 0.00 175.22 172.69 2k4n s GLU 79 N -2.20 3.99 0.82 1.99 2.02 -1.26 -1.28 118.70 122.79 2k4n s GLU 79 Ca -0.02 -0.32 -0.10 0.00 0.02 0.00 0.00 54.97 54.55 2k4n s GLU 79 Cb -0.06 -3.36 0.13 0.00 0.10 0.00 0.00 34.13 30.94 2k4n s GLU 79 CO -0.00 0.15 1.15 0.95 0.02 0.00 0.00 175.26 177.53 2k4n s THR 80 N 0.75 2.10 -0.78 3.63 -4.23 0.76 -4.94 115.64 112.92 2k4n s THR 80 Ca 0.05 -0.20 0.20 0.00 -1.18 0.00 0.00 61.69 60.56 2k4n s THR 80 Cb -0.13 -2.90 0.19 0.00 1.34 0.00 0.00 72.50 70.99 2k4n s THR 80 CO 0.02 0.00 1.61 0.18 -0.54 0.00 0.00 174.62 175.89 2k4n n LEU 81 N -3.29 0.31 -0.71 4.79 4.32 -1.26 -1.87 117.00 119.28 2k4n n LEU 81 Ca 0.12 0.57 0.11 0.00 -0.02 0.00 0.00 56.01 56.79 2k4n n LEU 81 Cb 0.60 -0.52 0.32 0.00 -1.62 0.00 0.00 43.42 42.20 2k4n n LEU 81 CO 0.48 -0.35 0.75 0.47 -1.22 0.00 0.00 177.39 177.52 2k4n n ASP 82 N -1.83 2.12 -0.78 -1.43 8.00 -1.26 -4.89 116.55 116.49 2k4n n ASP 82 Ca 0.03 -1.80 -0.10 0.00 0.71 0.00 0.00 54.79 53.64 2k4n n ASP 82 Cb 0.22 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 2k4n n ASP 82 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k4n n ASN 83 N 0.63 -4.04 -4.83 -2.24 5.15 -0.78 -5.01 115.26 104.14 2k4n n ASN 83 Ca 0.17 0.21 -0.36 0.00 -0.60 0.00 0.00 54.58 53.99 2k4n n ASN 83 Cb 0.40 -2.50 -0.07 0.00 -0.53 0.00 0.00 39.78 37.08 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2k4n s VAL 84 N -2.37 5.47 -0.25 3.44 1.01 -1.26 -4.87 120.40 121.57 2k4n s VAL 84 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 2k4n s VAL 84 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2k4n s VAL 84 CO 0.00 0.56 0.05 -0.13 0.00 0.00 0.00 175.10 175.58 2k4n s ARG 85 N -0.54 3.52 -0.43 2.72 0.52 0.61 -0.17 118.95 125.19 2k4n s ARG 85 Ca 0.12 -0.56 -0.22 0.00 -0.52 0.00 0.00 55.73 54.55 2k4n s ARG 85 Cb -0.12 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.10 2k4n s ARG 85 CO 0.02 -0.23 0.72 0.08 0.02 0.00 0.00 175.30 175.91 2k4n s VAL 86 N 1.57 4.74 -0.08 3.52 1.01 -0.40 -0.63 120.40 130.13 2k4n s VAL 86 Ca 0.06 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 2k4n s VAL 86 Cb -0.15 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2k4n s VAL 86 CO 0.02 -0.60 0.03 -0.69 0.00 0.00 0.00 175.10 173.86 2k4n s VAL 87 N 3.06 4.54 0.02 2.92 1.01 0.67 -2.15 120.40 130.46 2k4n s VAL 87 Ca 0.27 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 2k4n s VAL 87 Cb -0.13 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2k4n s VAL 87 CO 0.20 0.59 0.24 -0.89 0.00 0.00 0.00 175.10 175.24 2k4n s THR 88 N -0.93 0.08 0.07 3.92 2.01 0.96 -1.07 115.64 120.67 2k4n s THR 88 Ca 0.14 -0.68 -0.31 0.00 0.31 0.00 0.00 61.69 61.15 2k4n s THR 88 Cb -0.11 -0.74 -0.07 0.00 0.01 0.00 0.00 72.50 71.58 2k4n s THR 88 CO 0.03 -0.38 1.49 -0.62 -0.69 0.00 0.00 174.62 174.46 2k4n s ASP 89 N -1.72 6.74 0.16 3.53 -1.08 -1.26 -0.36 116.67 122.68 2k4n s ASP 89 Ca -0.09 2.33 0.07 0.00 -0.52 0.00 0.00 52.55 54.34 2k4n s ASP 89 Cb -0.03 -2.57 -0.07 0.00 -1.46 0.00 0.00 42.92 38.79 2k4n s ASP 89 CO -0.00 -0.76 1.36 0.22 0.52 0.00 0.00 175.17 176.51 2k4n h TYR 90 N 7.60 0.02 -0.23 -5.34 3.20 -1.83 -1.47 116.97 118.92 2k4n h TYR 90 Ca -0.41 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.26 2k4n h TYR 90 Cb 1.20 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2k4n h TYR 90 CO 0.72 0.91 -0.58 1.03 -1.64 0.00 0.00 178.16 178.60 2k4n h SER 91 N 0.01 0.92 -0.19 -2.11 0.87 -1.91 0.33 113.55 111.46 2k4n h SER 91 Ca -0.01 -0.56 -0.14 0.00 -1.23 0.00 0.00 61.79 59.84 2k4n h SER 91 Cb 1.60 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2k4n h SER 91 CO 0.12 1.32 -0.38 -0.33 -0.53 0.00 0.00 176.83 177.02 2k4n h GLU 92 N 0.56 0.72 -0.25 2.24 5.08 -1.92 -0.87 114.58 120.14 2k4n h GLU 92 Ca -0.01 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2k4n h GLU 92 Cb 1.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2k4n h GLU 92 CO 0.13 0.98 0.13 0.35 -1.00 0.00 0.00 179.01 179.60 2k4n h PHE 93 N 0.60 0.35 -0.09 4.33 3.57 -1.12 -0.64 116.94 123.93 2k4n h PHE 93 Ca 0.05 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2k4n h PHE 93 Cb 0.92 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2k4n h PHE 93 CO 0.05 0.30 -0.24 1.96 -2.23 0.00 0.00 178.31 178.15 2k4n h GLN 94 N 0.29 0.15 -0.38 1.11 1.08 -0.87 -1.31 115.11 115.17 2k4n h GLN 94 Ca 0.09 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 2k4n h GLN 94 Cb 0.08 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2k4n h GLN 94 CO -0.01 0.38 -0.12 -0.22 -0.95 0.00 0.00 178.83 177.91 2k4n h LYS 95 N 0.14 0.67 -0.49 1.46 1.63 -0.67 -1.71 116.57 117.59 2k4n h LYS 95 Ca 0.02 -0.21 -0.11 0.00 -0.85 0.00 0.00 60.65 59.50 2k4n h LYS 95 Cb 0.50 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2k4n h LYS 95 CO 0.03 0.77 -0.13 0.82 -3.45 0.00 0.00 179.45 177.49 2k4n h ILE 96 N 0.61 1.27 0.00 2.00 2.04 -0.28 -1.68 117.51 121.46 2k4n h ILE 96 Ca 0.11 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 2k4n h ILE 96 Cb 0.56 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2k4n h ILE 96 CO 0.03 0.44 -0.09 -0.07 0.00 0.00 0.00 178.15 178.46 2k4n h LEU 97 N 0.82 0.00 -0.07 1.44 3.38 -0.85 -0.49 115.31 119.53 2k4n h LEU 97 Ca 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2k4n h LEU 97 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2k4n h LEU 97 CO 0.05 0.09 -0.65 0.11 0.09 0.00 0.00 178.44 178.13 2k4n h LYS 98 N 0.00 0.00 0.15 1.13 1.57 -0.61 0.12 116.57 118.94 2k4n h LYS 98 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k4n h LYS 98 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2k4n h LYS 98 CO 0.01 0.65 -0.07 0.87 -0.57 0.00 0.00 179.45 180.34 2k4n h LYS 99 N 0.00 -0.19 0.00 3.15 1.57 -0.21 -3.29 116.57 117.59 2k4n h LYS 99 Ca -0.01 0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 2k4n h LYS 99 Cb 1.47 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.78 2k4n h LYS 99 CO 0.08 -0.05 -1.43 0.00 -0.57 0.00 0.00 179.45 177.48 2k4n h ARG 100 N -0.30 0.00 -1.84 3.15 3.08 -1.53 -3.49 114.38 113.46 2k4n h ARG 100 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2k4n h ARG 100 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2k4n h ARG 100 CO 0.03 0.69 0.00 0.41 -1.07 0.00 0.00 179.97 180.04 2k4n n GLY 101 N 1.47 0.47 3.63 0.04 0.00 0.34 -4.98 105.19 106.17 2k4n n GLY 101 Ca -0.10 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.79 3.34 -2.01 2.61 2.01 -0.64 -4.85 115.64 113.31 2k4n s THR 102 Ca 0.00 0.38 0.12 0.00 0.31 0.00 0.00 61.69 62.50 2k4n s THR 102 Cb 0.00 -3.34 0.34 0.00 0.01 0.00 0.00 72.50 69.51 2k4n s THR 102 CO 0.00 -0.14 1.45 0.29 -0.69 0.00 0.00 174.62 175.53 2k4n n LYS 103 N 7.92 1.03 0.22 4.92 5.02 -1.26 -3.27 118.16 132.74 2k4n n LYS 103 Ca 0.22 -0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 2k4n n LYS 103 Cb 0.44 -1.19 0.44 0.00 -0.02 0.00 0.00 35.03 34.70 2k4n n LYS 103 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2k4n h LEU 104 N 0.08 0.00 -8.53 -0.35 3.38 -2.00 -3.44 115.31 104.45 2k4n h LEU 104 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2k4n h LEU 104 Cb 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 2k4n h LEU 104 CO 0.00 0.22 -0.72 -1.61 0.09 0.00 0.00 178.44 176.42 2k4n s GLU 105 N -3.59 0.94 -0.32 1.13 2.02 -1.20 -5.01 118.70 112.67 2k4n s GLU 105 Ca 0.01 -1.30 -0.05 0.00 0.02 0.00 0.00 54.97 53.65 2k4n s GLU 105 Cb 0.10 -0.53 0.01 0.00 0.10 0.00 0.00 34.13 33.80 2k4n s GLU 105 CO 0.64 0.07 0.16 0.72 0.02 0.00 0.00 175.26 176.87 2k4n n HIS 106 N 0.16 -3.54 0.34 1.61 8.25 -1.26 -4.88 115.22 115.90 2k4n n HIS 106 Ca -0.13 1.53 0.11 0.00 -0.26 0.00 0.00 57.72 58.97 2k4n n HIS 106 Cb 0.59 -3.74 -0.04 0.00 1.12 0.00 0.00 29.99 27.93 2k4n n HIS 106 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k4n n HIS 107 N 0.49 0.33 -4.42 4.41 8.25 -1.26 -4.85 115.22 118.18 2k4n n HIS 107 Ca 0.03 0.10 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 2k4n n HIS 107 Cb 0.17 -0.54 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 2k4n n HIS 107 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k4n s HIS 108 N -3.31 3.09 -1.00 4.41 3.76 -1.26 -5.05 115.29 115.94 2k4n s HIS 108 Ca -0.00 0.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.80 2k4n s HIS 108 Cb 0.13 -1.81 0.13 0.00 1.11 0.00 0.00 32.58 32.14 2k4n s HIS 108 CO 0.83 0.34 1.22 -1.01 -0.85 0.00 0.00 174.74 175.27 2k4n s HIS 109 N -0.60 3.16 -0.05 1.40 0.09 -1.26 -4.99 115.29 113.04 2k4n s HIS 109 Ca 0.10 -1.52 -0.18 0.00 -0.00 0.00 0.00 55.06 53.46 2k4n s HIS 109 Cb -0.12 -4.32 -0.05 0.00 -0.00 0.00 0.00 32.58 28.09 2k4n s HIS 109 CO 0.02 -1.50 0.50 -1.58 -0.00 0.00 0.00 174.74 172.18 2k4n s HIS 110 N 2.60 3.63 -2.67 1.40 5.04 -1.26 -5.30 115.29 118.73 2k4n s HIS 110 Ca 0.36 1.02 0.27 0.00 -1.54 0.00 0.00 55.06 55.17 2k4n s HIS 110 Cb -0.04 -2.50 0.75 0.00 0.04 0.00 0.00 32.58 30.83 2k4n s HIS 110 CO -0.07 0.36 1.58 0.72 -2.34 0.00 0.00 174.74 174.98