#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 1.72 -0.04 6.12 3.02 -1.26 -3.98 115.26 120.84 2k4n n ASN 2 Ca 0.00 -1.55 0.12 0.00 -0.03 0.00 0.00 54.58 53.12 2k4n n ASN 2 Cb 0.00 0.02 0.53 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.22 0.31 -0.33 6.41 4.64 -1.96 -2.27 113.55 120.58 2k4n h SER 3 Ca -0.10 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.30 2k4n h SER 3 Cb 0.35 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 2k4n h SER 3 CO 0.16 0.19 -0.17 -0.08 -0.87 0.00 0.00 176.83 176.06 2k4n h GLU 4 N 0.34 -0.12 -0.12 4.77 4.81 -1.99 0.05 114.58 122.32 2k4n h GLU 4 Ca 0.25 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2k4n h GLU 4 Cb 0.52 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2k4n h GLU 4 CO -0.06 -0.08 0.07 0.28 -0.73 0.00 0.00 179.01 178.49 2k4n h VAL 5 N -0.12 1.08 -0.78 0.32 2.07 -1.79 -1.96 116.25 115.07 2k4n h VAL 5 Ca 0.17 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2k4n h VAL 5 Cb 0.38 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 2k4n h VAL 5 CO -0.41 0.08 0.41 0.40 0.02 0.00 0.00 177.57 178.07 2k4n h ILE 6 N 0.11 0.85 -0.22 4.57 2.04 -1.41 -1.06 117.51 122.39 2k4n h ILE 6 Ca 0.04 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.71 2k4n h ILE 6 Cb 0.06 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 2k4n h ILE 6 CO -0.01 0.12 0.01 0.11 0.00 0.00 0.00 178.15 178.39 2k4n h LYS 7 N 0.68 0.09 -0.83 2.37 1.57 -0.45 0.54 116.57 120.54 2k4n h LYS 7 Ca 0.39 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2k4n h LYS 7 Cb 0.42 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2k4n h LYS 7 CO -0.28 0.06 0.49 0.93 -0.57 0.00 0.00 179.45 180.08 2k4n h GLU 8 N 0.09 1.13 -0.17 3.15 5.08 -0.72 0.14 114.58 123.28 2k4n h GLU 8 Ca 0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k4n h GLU 8 Cb 0.12 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k4n h GLU 8 CO -0.16 0.80 0.09 0.35 -1.00 0.00 0.00 179.01 179.09 2k4n h PHE 9 N 1.14 0.25 -0.14 4.33 3.57 -0.70 -1.10 116.94 124.28 2k4n h PHE 9 Ca 0.30 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 2k4n h PHE 9 Cb -0.03 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2k4n h PHE 9 CO -0.00 0.27 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.84 2k4n h LEU 10 N 0.16 0.34 -0.56 0.59 3.38 -0.54 -1.58 115.31 117.10 2k4n h LEU 10 Ca 0.06 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2k4n h LEU 10 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2k4n h LEU 10 CO -0.01 0.73 0.05 -0.08 0.09 0.00 0.00 178.44 179.23 2k4n h GLU 11 N 0.26 0.96 -0.59 1.13 4.81 -0.57 0.31 114.58 120.90 2k4n h GLU 11 Ca 0.02 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2k4n h GLU 11 Cb 0.87 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2k4n h GLU 11 CO 0.07 0.94 0.14 0.22 -0.73 0.00 0.00 179.01 179.65 2k4n h ASP 12 N 0.85 0.86 -0.52 1.04 3.58 -0.85 -1.80 116.42 119.57 2k4n h ASP 12 Ca 0.17 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 2k4n h ASP 12 Cb 0.47 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2k4n h ASP 12 CO 0.02 0.84 -0.05 0.40 -2.88 0.00 0.00 179.24 177.57 2k4n h ILE 13 N 0.88 1.27 0.00 2.25 2.04 -1.03 -3.47 117.51 119.45 2k4n h ILE 13 Ca 0.19 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2k4n h ILE 13 Cb 0.32 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2k4n h ILE 13 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.17 2k4n n GLY 14 N -0.33 0.99 3.95 5.37 0.00 0.10 -5.08 105.19 110.20 2k4n n GLY 14 Ca 0.01 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2k4n n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4n s GLU 15 N -1.14 3.46 -0.34 1.61 0.41 -0.82 -5.02 118.70 116.86 2k4n s GLU 15 Ca 0.00 -0.58 -0.29 0.00 -0.41 0.00 0.00 54.97 53.69 2k4n s GLU 15 Cb 0.00 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 2k4n s GLU 15 CO 0.00 0.35 1.21 -0.51 -0.49 0.00 0.00 175.26 175.83 2k4n s ASP 16 N -3.84 6.72 -0.30 -0.19 1.11 -1.26 -4.66 116.67 114.25 2k4n s ASP 16 Ca 0.36 1.02 -0.05 0.00 0.18 0.00 0.00 52.55 54.06 2k4n s ASP 16 Cb -0.10 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.38 2k4n s ASP 16 CO 0.31 -1.07 0.05 -0.72 1.18 0.00 0.00 175.17 174.92 2k4n s TYR 17 N 4.23 3.20 -0.83 4.23 1.13 -1.26 -4.59 117.35 123.46 2k4n s TYR 17 Ca 0.52 -1.41 -0.23 0.00 -1.41 0.00 0.00 57.07 54.54 2k4n s TYR 17 Cb -0.14 -2.20 0.07 0.00 -1.10 0.00 0.00 41.96 38.60 2k4n s TYR 17 CO 0.23 -0.70 1.18 0.42 -2.51 0.00 0.00 175.55 174.17 2k4n s ILE 18 N 1.39 4.21 -0.33 -3.49 1.01 -0.56 -4.91 121.20 118.51 2k4n s ILE 18 Ca -0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 2k4n s ILE 18 Cb -0.18 -4.84 0.00 0.00 0.01 0.00 0.00 42.46 37.45 2k4n s ILE 18 CO 0.01 -1.67 1.30 -0.70 0.00 0.00 0.00 174.94 173.89 2k4n s GLU 19 N 4.28 3.86 0.40 2.79 2.12 -1.26 -0.74 118.70 130.14 2k4n s GLU 19 Ca 0.33 1.16 0.07 0.00 0.36 0.00 0.00 54.97 56.89 2k4n s GLU 19 Cb -0.08 -3.90 -0.06 0.00 0.26 0.00 0.00 34.13 30.35 2k4n s GLU 19 CO 0.02 -1.20 0.14 -0.51 -0.54 0.00 0.00 175.26 173.17 2k4n s LEU 20 N 4.52 3.08 -0.35 2.70 1.43 0.14 -5.00 118.68 125.21 2k4n s LEU 20 Ca 0.56 -1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 2k4n s LEU 20 Cb -0.16 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2k4n s LEU 20 CO 0.25 -0.49 2.04 -1.61 0.23 0.00 0.00 176.35 176.77 2k4n s GLU 21 N -3.86 3.00 0.00 1.70 2.02 -1.26 -1.33 118.70 118.97 2k4n s GLU 21 Ca 0.39 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.92 2k4n s GLU 21 Cb 0.04 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.93 2k4n s GLU 21 CO 0.22 -2.25 0.00 0.09 0.02 0.00 0.00 175.26 173.33 2k4n n ASN 22 N 11.88 -0.86 -4.11 -0.19 3.02 -1.26 -5.01 115.26 118.73 2k4n n ASN 22 Ca 0.27 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.68 2k4n n ASN 22 Cb 0.48 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.02 0.65 -0.21 3.52 2.02 -0.44 -1.57 118.70 122.64 2k4n s GLU 23 Ca 0.00 -0.88 -0.01 0.00 0.02 0.00 0.00 54.97 54.10 2k4n s GLU 23 Cb 0.00 -0.45 0.06 0.00 0.10 0.00 0.00 34.13 33.84 2k4n s GLU 23 CO 0.00 0.08 0.00 0.42 0.02 0.00 0.00 175.26 175.79 2k4n s ILE 24 N -1.56 0.93 -0.18 -1.63 1.01 0.78 0.26 121.20 120.83 2k4n s ILE 24 Ca -0.05 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 2k4n s ILE 24 Cb -0.09 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2k4n s ILE 24 CO 0.01 -0.18 0.59 -1.00 0.00 0.00 0.00 174.94 174.35 2k4n s HIS 25 N 1.67 3.41 0.47 3.97 3.76 0.08 -0.17 115.29 128.48 2k4n s HIS 25 Ca -0.03 0.91 0.03 0.00 -0.15 0.00 0.00 55.06 55.83 2k4n s HIS 25 Cb -0.18 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 2k4n s HIS 25 CO -0.08 -0.09 0.01 -0.51 -0.85 0.00 0.00 174.74 173.23 2k4n s LEU 26 N 1.57 2.47 0.25 0.89 1.43 -0.91 -1.50 118.68 122.87 2k4n s LEU 26 Ca 0.28 -1.55 -0.04 0.00 -1.03 0.00 0.00 54.13 51.78 2k4n s LEU 26 Cb -0.16 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 2k4n s LEU 26 CO 0.11 -0.71 0.50 -0.54 0.23 0.00 0.00 176.35 175.93 2k4n s LYS 27 N -3.81 3.62 0.17 1.70 1.02 -1.26 -4.72 119.74 116.46 2k4n s LYS 27 Ca 0.17 -0.06 -0.20 0.00 0.02 0.00 0.00 55.97 55.90 2k4n s LYS 27 Cb 0.05 -2.71 0.10 0.00 -0.52 0.00 0.00 37.83 34.74 2k4n s LYS 27 CO 0.09 0.29 1.61 -1.35 -0.92 0.00 0.00 175.35 175.07 2k4n h PRO 28 N 1.96 -0.17 -0.18 -1.68 0.11 -1.95 0.12 132.00 130.22 2k4n h PRO 28 Ca -0.47 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 2k4n h PRO 28 Cb 1.19 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k4n h PRO 28 CO 0.68 -0.11 -0.62 1.49 -0.21 0.00 0.00 178.00 179.22 2k4n h GLU 29 N -0.18 0.61 -0.74 1.05 4.81 -1.95 -2.59 114.58 115.60 2k4n h GLU 29 Ca 0.20 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 2k4n h GLU 29 Cb 0.50 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2k4n h GLU 29 CO -0.55 1.04 0.26 0.28 -0.73 0.00 0.00 179.01 179.31 2k4n h VAL 30 N 0.45 1.26 -0.82 0.32 2.07 -1.79 -1.95 116.25 115.79 2k4n h VAL 30 Ca -0.01 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2k4n h VAL 30 Cb 1.19 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2k4n h VAL 30 CO 0.12 0.34 0.42 0.15 0.02 0.00 0.00 177.57 178.62 2k4n h PHE 31 N 1.08 1.15 -0.65 1.57 3.57 -0.68 -1.38 116.94 121.60 2k4n h PHE 31 Ca 0.24 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2k4n h PHE 31 Cb 0.27 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2k4n h PHE 31 CO 0.02 0.81 0.40 -0.92 -2.23 0.00 0.00 178.31 176.40 2k4n h TYR 32 N 1.15 0.84 -0.39 0.41 3.20 -1.00 0.17 116.97 121.36 2k4n h TYR 32 Ca 0.29 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2k4n h TYR 32 Cb 0.07 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 2k4n h TYR 32 CO 0.01 0.56 0.09 0.93 -1.64 0.00 0.00 178.16 178.12 2k4n h GLU 33 N 0.88 0.63 -0.58 1.82 4.39 -0.96 -2.77 114.58 117.99 2k4n h GLU 33 Ca 0.23 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2k4n h GLU 33 Cb -0.05 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2k4n h GLU 33 CO -0.05 0.66 0.05 0.28 -1.16 0.00 0.00 179.01 178.79 2k4n h VAL 34 N 0.49 1.26 -0.39 3.13 2.07 -0.91 -0.87 116.25 121.03 2k4n h VAL 34 Ca 0.12 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.64 2k4n h VAL 34 Cb 0.31 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2k4n h VAL 34 CO 0.00 0.39 0.07 -0.25 0.02 0.00 0.00 177.57 177.80 2k4n h TRP 35 N 0.90 0.11 -0.02 1.57 7.01 -0.57 -0.56 115.95 124.39 2k4n h TRP 35 Ca 0.17 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.06 2k4n h TRP 35 Cb 0.49 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2k4n h TRP 35 CO 0.04 0.01 -0.63 0.87 -2.79 0.00 0.00 178.44 175.94 2k4n h LYS 36 N 0.20 0.09 -0.52 2.65 1.57 -1.37 0.19 116.57 119.37 2k4n h LYS 36 Ca 0.19 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2k4n h LYS 36 Cb 0.23 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2k4n h LYS 36 CO -0.25 0.68 0.22 -0.92 -0.57 0.00 0.00 179.45 178.61 2k4n h TYR 37 N 0.06 0.77 -0.00 -1.35 3.20 -0.08 -2.57 116.97 117.01 2k4n h TYR 37 Ca -0.01 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2k4n h TYR 37 Cb 1.12 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2k4n h TYR 37 CO 0.01 0.63 -0.02 1.33 -1.64 0.00 0.00 178.16 178.47 2k4n n VAL 38 N -4.55 0.00 0.00 1.81 0.24 -0.32 -4.87 118.33 110.64 2k4n n VAL 38 Ca 0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2k4n n VAL 38 Cb 0.15 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 1.30 1.27 3.05 7.63 0.00 -0.97 -4.77 105.19 112.70 2k4n n GLY 39 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.15 -2.13 -2.58 1.61 1.02 0.64 -4.99 120.64 113.06 2k4n n GLU 40 Ca 0.00 1.86 -0.24 0.00 -0.02 0.00 0.00 57.16 58.76 2k4n n GLU 40 Cb 0.00 -4.83 0.12 0.00 -0.02 0.00 0.00 31.44 26.71 2k4n n GLU 40 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2k4n s PRO 41 N -2.72 1.48 0.06 3.49 0.04 -1.26 -5.03 135.00 131.06 2k4n s PRO 41 Ca 0.24 -1.19 -0.30 0.00 0.04 0.00 0.00 61.00 59.78 2k4n s PRO 41 Cb -0.05 -2.30 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 2k4n s PRO 41 CO 0.79 -1.61 1.78 -1.21 0.04 0.00 0.00 177.00 176.80 2k4n s GLU 42 N -5.22 4.16 -0.09 4.56 0.41 -1.26 -4.98 118.70 116.28 2k4n s GLU 42 Ca 0.68 2.46 -0.17 0.00 -0.41 0.00 0.00 54.97 57.52 2k4n s GLU 42 Cb -0.04 -3.81 -0.05 0.00 -1.78 0.00 0.00 34.13 28.46 2k4n s GLU 42 CO 0.45 -0.84 0.46 -0.51 -0.49 0.00 0.00 175.26 174.33 2k4n s LEU 43 N 3.37 4.32 -0.10 1.80 1.43 -1.26 -4.93 118.68 123.31 2k4n s LEU 43 Ca 0.80 0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 54.63 2k4n s LEU 43 Cb -0.41 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 2k4n s LEU 43 CO 0.35 0.07 0.24 -0.54 0.23 0.00 0.00 176.35 176.70 2k4n s LYS 44 N 0.25 3.76 -0.05 1.70 1.02 -0.76 -4.95 119.74 120.70 2k4n s LYS 44 Ca 0.25 0.05 0.05 0.00 0.02 0.00 0.00 55.97 56.34 2k4n s LYS 44 Cb -0.15 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2k4n s LYS 44 CO 0.11 0.63 -0.22 0.95 -0.92 0.00 0.00 175.35 175.90 2k4n s THR 45 N -0.69 1.80 -0.04 2.17 -4.23 -1.26 0.02 115.64 113.40 2k4n s THR 45 Ca 0.17 -0.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2k4n s THR 45 Cb -0.13 -1.53 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 2k4n s THR 45 CO 0.06 0.51 -0.21 -0.72 -0.54 0.00 0.00 174.62 173.71 2k4n s TYR 46 N -0.10 2.06 -0.50 3.99 1.13 -0.06 -4.95 117.35 118.92 2k4n s TYR 46 Ca -0.03 -0.55 -0.17 0.00 -1.41 0.00 0.00 57.07 54.91 2k4n s TYR 46 Cb -0.13 -1.35 0.07 0.00 -1.10 0.00 0.00 41.96 39.45 2k4n s TYR 46 CO 0.03 -0.15 0.53 0.08 -2.51 0.00 0.00 175.55 173.53 2k4n s VAL 47 N -0.19 5.04 -0.38 -3.49 1.01 -1.26 -1.02 120.40 120.11 2k4n s VAL 47 Ca -0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2k4n s VAL 47 Cb -0.12 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.04 2k4n s VAL 47 CO 0.02 -0.72 0.26 -0.51 0.00 0.00 0.00 175.10 174.15 2k4n s ILE 48 N 2.18 5.15 -0.42 2.22 2.07 0.37 -4.84 121.20 127.93 2k4n s ILE 48 Ca 0.10 -0.52 -0.19 0.00 -1.41 0.00 0.00 60.65 58.62 2k4n s ILE 48 Cb -0.22 -3.78 0.02 0.00 0.13 0.00 0.00 42.46 38.61 2k4n s ILE 48 CO 0.09 -0.18 0.56 -0.70 -1.91 0.00 0.00 174.94 172.80 2k4n s GLU 49 N 1.68 3.29 0.20 3.50 2.12 -1.25 -0.33 118.70 127.90 2k4n s GLU 49 Ca 0.05 -0.44 0.10 0.00 0.36 0.00 0.00 54.97 55.04 2k4n s GLU 49 Cb -0.18 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2k4n s GLU 49 CO 0.10 -0.89 -0.14 0.34 -0.54 0.00 0.00 175.26 174.13 2k4n s ASP 50 N 1.90 3.98 -0.18 -1.70 -1.08 -0.58 -4.87 116.67 114.13 2k4n s ASP 50 Ca 0.19 -0.70 -0.08 0.00 -0.52 0.00 0.00 52.55 51.44 2k4n s ASP 50 Cb -0.15 -0.56 -0.04 0.00 -1.46 0.00 0.00 42.92 40.70 2k4n s ASP 50 CO 0.16 0.10 0.07 -1.61 0.52 0.00 0.00 175.17 174.41 2k4n s GLU 51 N -2.87 3.94 -0.17 4.34 2.02 -1.26 -0.58 118.70 124.11 2k4n s GLU 51 Ca 0.24 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 2k4n s GLU 51 Cb -0.08 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2k4n s GLU 51 CO 0.14 0.33 0.02 -0.89 0.02 0.00 0.00 175.26 174.88 2k4n n ILE 52 N 3.38 -8.14 -3.61 -1.63 5.41 -0.44 -4.96 119.36 109.37 2k4n n ILE 52 Ca -0.17 1.20 -0.40 0.00 1.00 0.00 0.00 62.75 64.38 2k4n n ILE 52 Cb 0.52 -5.68 -0.08 0.00 -0.71 0.00 0.00 39.64 33.69 2k4n n ILE 52 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2k4n s VAL 53 N -0.88 4.10 -0.02 1.39 1.01 -1.26 -5.06 120.40 119.68 2k4n s VAL 53 Ca -0.03 -2.25 -0.14 0.00 0.00 0.00 0.00 61.98 59.56 2k4n s VAL 53 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2k4n s VAL 53 CO 0.47 -0.82 0.38 -1.61 0.00 0.00 0.00 175.10 173.52 2k4n s GLU 54 N 0.77 3.88 0.13 2.72 2.02 -1.26 -5.02 118.70 121.95 2k4n s GLU 54 Ca 0.11 0.35 -0.22 0.00 0.02 0.00 0.00 54.97 55.24 2k4n s GLU 54 Cb -0.22 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2k4n s GLU 54 CO -0.03 0.68 1.68 -1.35 0.02 0.00 0.00 175.26 176.26 2k4n h PRO 55 N 4.80 -0.14 0.00 0.39 0.11 -2.01 -3.44 132.00 131.71 2k4n h PRO 55 Ca -0.52 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2k4n h PRO 55 Cb 1.22 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k4n h PRO 55 CO 0.62 -0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 2k4n n GLY 56 N -1.27 0.13 3.83 -0.55 0.00 -1.26 -5.10 105.19 100.97 2k4n n GLY 56 Ca -0.03 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2k4n n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4n s GLU 57 N -0.87 3.76 0.41 1.61 2.12 -1.26 -5.09 118.70 119.38 2k4n s GLU 57 Ca 0.00 -0.03 -0.14 0.00 0.36 0.00 0.00 54.97 55.15 2k4n s GLU 57 Cb 0.00 -3.27 -0.08 0.00 0.26 0.00 0.00 34.13 31.04 2k4n s GLU 57 CO 0.00 0.61 0.83 0.71 -0.54 0.00 0.00 175.26 176.86 2k4n s TYR 58 N -0.58 3.42 0.20 5.30 2.02 -1.26 -4.91 117.35 121.54 2k4n s TYR 58 Ca 0.15 1.25 -0.32 0.00 -0.37 0.00 0.00 57.07 57.78 2k4n s TYR 58 Cb -0.13 -2.59 -0.12 0.00 -0.40 0.00 0.00 41.96 38.72 2k4n s TYR 58 CO 0.04 -0.10 1.71 -3.47 -1.57 0.00 0.00 175.55 172.16 2k4n n ASP 59 N -1.00 3.89 -4.36 2.29 2.03 -1.26 -4.79 116.55 113.35 2k4n n ASP 59 Ca 0.04 1.06 -0.61 0.00 0.52 0.00 0.00 54.79 55.80 2k4n n ASP 59 Cb 0.54 -1.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.27 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 4.01 0.10 -1.81 -0.67 -0.04 -1.26 -4.77 135.00 130.56 2k4n n PRO 60 Ca 0.16 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.37 2k4n n PRO 60 Cb 0.34 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.17 2k4n n PRO 60 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2k4n s PRO 61 N 5.47 2.21 0.43 0.54 0.04 -1.26 -4.90 135.00 137.52 2k4n s PRO 61 Ca 1.16 0.50 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2k4n s PRO 61 Cb -1.45 -4.73 -0.03 0.00 0.04 0.00 0.00 34.50 28.34 2k4n s PRO 61 CO 0.67 -3.51 0.09 -1.21 0.04 0.00 0.00 177.00 173.09 2k4n s GLU 62 N 7.81 1.97 -1.20 4.56 0.41 -1.26 -5.05 118.70 125.93 2k4n s GLU 62 Ca 0.82 -2.21 -0.19 0.00 -0.41 0.00 0.00 54.97 52.98 2k4n s GLU 62 Cb -0.12 -0.86 0.07 0.00 -1.78 0.00 0.00 34.13 31.44 2k4n s GLU 62 CO 0.12 -0.42 1.62 1.41 -0.49 0.00 0.00 175.26 177.50 2k4n s MET 63 N -3.76 3.87 -0.14 1.61 -2.45 -1.26 -4.88 119.30 112.30 2k4n s MET 63 Ca 0.21 -1.78 -0.26 0.00 -1.25 0.00 0.00 55.69 52.61 2k4n s MET 63 Cb 0.03 -5.44 0.06 0.00 1.25 0.00 0.00 34.83 30.73 2k4n s MET 63 CO 0.12 -2.20 0.63 0.21 1.05 0.00 0.00 175.02 174.83 2k4n s LYS 64 N 4.22 0.88 -0.74 4.11 2.20 -1.26 -5.11 119.74 124.04 2k4n s LYS 64 Ca 0.50 0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 56.46 2k4n s LYS 64 Cb 0.02 0.42 0.16 0.00 -1.51 0.00 0.00 37.83 36.92 2k4n s LYS 64 CO 0.02 -0.20 0.77 -0.47 -0.36 0.00 0.00 175.35 175.10 2k4n s TYR 65 N -0.50 3.37 0.27 4.03 5.04 -1.26 -5.04 117.35 123.27 2k4n s TYR 65 Ca -0.06 -1.52 -0.29 0.00 -2.44 0.00 0.00 57.07 52.76 2k4n s TYR 65 Cb -0.03 -3.95 -0.09 0.00 0.35 0.00 0.00 41.96 38.24 2k4n s TYR 65 CO 0.05 -1.16 1.00 0.99 -1.34 0.00 0.00 175.55 175.09 2k4n s THR 66 N 1.47 3.88 0.09 4.34 2.01 -1.26 -4.97 115.64 121.20 2k4n s THR 66 Ca 0.16 1.83 -0.31 0.00 0.31 0.00 0.00 61.69 63.69 2k4n s THR 66 Cb -0.16 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 2k4n s THR 66 CO -0.03 0.39 1.78 0.20 -0.69 0.00 0.00 174.62 176.27 2k4n s ASN 67 N -1.15 6.49 -0.43 3.53 0.01 -1.26 -4.94 114.94 117.19 2k4n s ASN 67 Ca 0.44 2.64 -0.23 0.00 -0.71 0.00 0.00 52.86 55.00 2k4n s ASN 67 Cb -0.27 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 38.85 2k4n s ASN 67 CO 0.34 -0.97 0.76 -0.69 -1.51 0.00 0.00 177.10 175.03 2k4n s VAL 68 N 2.92 4.69 -0.18 1.60 1.01 -1.26 -4.93 120.40 124.25 2k4n s VAL 68 Ca 0.79 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.18 2k4n s VAL 68 Cb -0.43 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 2k4n s VAL 68 CO 0.35 -0.65 0.01 -0.75 0.00 0.00 0.00 175.10 174.06 2k4n s LYS 69 N 3.19 3.73 -0.10 2.72 2.36 -1.26 -4.93 119.74 125.45 2k4n s LYS 69 Ca 0.29 -0.47 -0.23 0.00 -2.55 0.00 0.00 55.97 53.01 2k4n s LYS 69 Cb -0.13 -3.07 -0.03 0.00 -1.05 0.00 0.00 37.83 33.55 2k4n s LYS 69 CO 0.21 0.16 0.68 0.15 1.55 0.00 0.00 175.35 178.10 2k4n s LYS 70 N 0.63 4.38 -0.23 4.03 1.02 -1.26 -1.33 119.74 126.98 2k4n s LYS 70 Ca -0.00 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.81 2k4n s LYS 70 Cb -0.14 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 2k4n s LYS 70 CO 0.02 -0.01 -0.12 0.08 -0.92 0.00 0.00 175.35 174.40 2k4n s VAL 71 N 1.09 2.45 -0.64 3.17 1.01 0.26 -4.95 120.40 122.79 2k4n s VAL 71 Ca 0.35 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 2k4n s VAL 71 Cb -0.17 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.01 2k4n s VAL 71 CO 0.16 0.25 1.16 -0.54 0.00 0.00 0.00 175.10 176.12 2k4n s LYS 72 N 1.26 3.33 -0.43 2.72 1.02 -1.26 -1.53 119.74 124.85 2k4n s LYS 72 Ca -0.01 -0.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.71 2k4n s LYS 72 Cb -0.16 -4.10 0.03 0.00 -0.52 0.00 0.00 37.83 33.08 2k4n s LYS 72 CO -0.07 -1.83 0.38 0.42 -0.92 0.00 0.00 175.35 173.33 2k4n s ILE 73 N 5.00 5.17 -0.60 2.17 1.01 0.55 -4.88 121.20 129.62 2k4n s ILE 73 Ca 0.36 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.17 2k4n s ILE 73 Cb -0.09 -4.02 0.05 0.00 0.01 0.00 0.00 42.46 38.41 2k4n s ILE 73 CO 0.19 -0.42 0.95 -0.75 0.00 0.00 0.00 174.94 174.91 2k4n s LYS 74 N 1.89 3.22 0.31 2.79 2.20 -1.26 -0.48 119.74 128.41 2k4n s LYS 74 Ca 0.08 -0.53 0.07 0.00 -0.36 0.00 0.00 55.97 55.23 2k4n s LYS 74 Cb -0.19 -4.14 -0.03 0.00 -1.51 0.00 0.00 37.83 31.97 2k4n s LYS 74 CO 0.11 -1.65 0.30 0.15 -0.36 0.00 0.00 175.35 173.90 2k4n s LYS 75 N 4.03 2.86 -0.02 4.03 1.02 -0.19 -2.95 119.74 128.52 2k4n s LYS 75 Ca 0.26 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 55.14 2k4n s LYS 75 Cb -0.14 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2k4n s LYS 75 CO 0.15 0.17 -0.20 0.54 -0.92 0.00 0.00 175.35 175.10 2k4n s VAL 76 N -2.23 2.61 0.02 3.17 0.11 0.43 -0.88 120.40 123.62 2k4n s VAL 76 Ca 0.39 -0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 58.34 2k4n s VAL 76 Cb -0.07 -2.00 0.02 0.00 -1.53 0.00 0.00 36.38 32.80 2k4n s VAL 76 CO 0.27 0.53 0.28 -0.72 -3.33 0.00 0.00 175.10 172.13 2k4n s TYR 77 N -0.73 -0.11 0.03 1.54 1.13 0.10 -0.80 117.35 118.51 2k4n s TYR 77 Ca 0.12 0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.88 2k4n s TYR 77 Cb -0.10 0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.81 2k4n s TYR 77 CO 0.01 -0.43 -0.12 -0.59 -2.51 0.00 0.00 175.55 171.91 2k4n s PHE 78 N -1.94 1.08 -0.19 -3.49 -0.71 -0.94 -1.84 117.98 109.96 2k4n s PHE 78 Ca -0.09 -0.31 -0.08 0.00 -1.04 0.00 0.00 56.93 55.40 2k4n s PHE 78 Cb -0.03 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 41.08 2k4n s PHE 78 CO 0.00 0.01 0.09 -1.21 -1.34 0.00 0.00 175.22 172.77 2k4n s GLU 79 N -0.91 4.04 1.08 1.99 2.02 -1.26 -1.65 118.70 124.01 2k4n s GLU 79 Ca 0.01 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 54.54 2k4n s GLU 79 Cb -0.07 -3.30 0.25 0.00 0.10 0.00 0.00 34.13 31.11 2k4n s GLU 79 CO 0.01 0.31 1.25 0.95 0.02 0.00 0.00 175.26 177.80 2k4n s THR 80 N 0.30 1.83 0.18 3.63 -4.23 -0.93 -4.86 115.64 111.56 2k4n s THR 80 Ca 0.06 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.81 2k4n s THR 80 Cb -0.12 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.16 2k4n s THR 80 CO -0.01 0.00 1.87 -0.07 -0.54 0.00 0.00 174.62 175.87 2k4n h LEU 81 N -2.08 0.00 -1.34 4.79 4.07 -1.92 -0.09 115.31 118.73 2k4n h LEU 81 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2k4n h LEU 81 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 2k4n h LEU 81 CO 0.33 0.21 0.00 -0.90 -1.08 0.00 0.00 178.44 177.00 2k4n n ASP 82 N -3.42 1.96 -1.75 -0.43 5.75 -1.26 -4.92 116.55 112.49 2k4n n ASP 82 Ca -0.00 -1.95 -0.15 0.00 -0.01 0.00 0.00 54.79 52.68 2k4n n ASP 82 Cb 0.40 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2k4n n ASN 83 N 0.56 -4.55 -4.69 -1.12 5.03 -0.05 -4.99 115.26 105.44 2k4n n ASN 83 Ca 0.13 -0.03 -0.40 0.00 0.87 0.00 0.00 54.58 55.16 2k4n n ASN 83 Cb 0.32 -3.67 -0.05 0.00 -1.02 0.00 0.00 39.78 35.36 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k4n s VAL 84 N -2.77 5.04 -0.46 2.41 1.01 -1.26 -4.78 120.40 119.59 2k4n s VAL 84 Ca 0.02 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.11 2k4n s VAL 84 Cb -0.01 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.42 2k4n s VAL 84 CO 0.02 0.19 0.61 -0.13 0.00 0.00 0.00 175.10 175.80 2k4n s ARG 85 N 1.26 3.20 -0.45 2.72 0.52 -0.61 -2.19 118.95 123.40 2k4n s ARG 85 Ca 0.33 -0.60 -0.27 0.00 -0.52 0.00 0.00 55.73 54.66 2k4n s ARG 85 Cb -0.17 -4.01 0.03 0.00 0.52 0.00 0.00 34.95 31.33 2k4n s ARG 85 CO 0.14 -1.07 1.04 0.08 0.02 0.00 0.00 175.30 175.51 2k4n s VAL 86 N 2.68 4.36 -0.08 3.52 1.01 -0.66 -0.15 120.40 131.08 2k4n s VAL 86 Ca 0.19 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.26 2k4n s VAL 86 Cb -0.16 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 2k4n s VAL 86 CO 0.16 -0.87 -0.12 -0.69 0.00 0.00 0.00 175.10 173.58 2k4n s VAL 87 N 4.05 3.21 0.04 2.92 1.01 0.77 -2.21 120.40 130.19 2k4n s VAL 87 Ca 0.43 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2k4n s VAL 87 Cb -0.09 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2k4n s VAL 87 CO 0.27 0.57 0.25 -0.89 0.00 0.00 0.00 175.10 175.31 2k4n s THR 88 N -0.45 0.10 0.07 3.92 2.01 0.02 -2.14 115.64 119.17 2k4n s THR 88 Ca 0.06 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 2k4n s THR 88 Cb -0.12 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.40 2k4n s THR 88 CO 0.02 -0.43 1.55 -0.62 -0.69 0.00 0.00 174.62 174.45 2k4n s ASP 89 N -2.06 6.68 0.32 3.53 2.15 -1.26 -0.43 116.67 125.60 2k4n s ASP 89 Ca -0.05 2.39 0.16 0.00 0.43 0.00 0.00 52.55 55.48 2k4n s ASP 89 Cb -0.01 -2.57 0.38 0.00 -0.30 0.00 0.00 42.92 40.42 2k4n s ASP 89 CO -0.03 -0.81 1.59 0.22 -0.17 0.00 0.00 175.17 175.96 2k4n h TYR 90 N 7.84 0.00 -0.25 -5.34 3.20 -1.81 -2.55 116.97 118.06 2k4n h TYR 90 Ca -0.41 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.35 2k4n h TYR 90 Cb 1.20 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 2k4n h TYR 90 CO 0.74 0.48 -0.24 1.03 -1.64 0.00 0.00 178.16 178.53 2k4n h SER 91 N 0.00 0.64 -0.66 -2.11 0.87 -1.91 0.16 113.55 110.55 2k4n h SER 91 Ca -0.00 -0.47 -0.06 0.00 -1.23 0.00 0.00 61.79 60.02 2k4n h SER 91 Cb 1.15 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.90 2k4n h SER 91 CO 0.06 0.98 0.17 -0.33 -0.53 0.00 0.00 176.83 177.18 2k4n h GLU 92 N 0.31 1.06 -0.57 2.24 4.39 -1.94 -1.52 114.58 118.56 2k4n h GLU 92 Ca 0.04 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 2k4n h GLU 92 Cb 0.80 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2k4n h GLU 92 CO 0.06 0.94 0.16 0.35 -1.16 0.00 0.00 179.01 179.36 2k4n h PHE 93 N 1.01 0.93 -0.77 4.33 3.57 -1.25 -2.45 116.94 122.31 2k4n h PHE 93 Ca 0.21 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2k4n h PHE 93 Cb 0.35 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2k4n h PHE 93 CO 0.03 0.79 0.47 1.96 -2.23 0.00 0.00 178.31 179.33 2k4n h GLN 94 N 0.80 1.03 -0.25 1.11 1.08 -0.38 -1.33 115.11 117.17 2k4n h GLN 94 Ca 0.18 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.34 2k4n h GLN 94 Cb 0.31 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 2k4n h GLN 94 CO -0.00 0.72 -0.03 0.87 -0.95 0.00 0.00 178.83 179.43 2k4n h LYS 95 N 1.06 0.03 -0.69 1.46 1.57 -0.83 -0.48 116.57 118.69 2k4n h LYS 95 Ca 0.28 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 2k4n h LYS 95 Cb -0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2k4n h LYS 95 CO -0.05 0.02 0.21 0.82 -0.57 0.00 0.00 179.45 179.88 2k4n h ILE 96 N 0.03 1.26 -0.38 1.86 2.04 -1.09 0.41 117.51 121.64 2k4n h ILE 96 Ca 0.12 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.11 2k4n h ILE 96 Cb 0.17 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2k4n h ILE 96 CO -0.23 0.34 0.21 -0.07 0.00 0.00 0.00 178.15 178.41 2k4n h LEU 97 N 1.02 0.33 -0.41 1.44 3.38 -0.87 0.14 115.31 120.33 2k4n h LEU 97 Ca 0.22 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 2k4n h LEU 97 Cb 0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2k4n h LEU 97 CO -0.01 0.24 -0.74 0.11 0.09 0.00 0.00 178.44 178.14 2k4n h LYS 98 N 0.43 0.36 -0.38 1.13 1.57 -0.76 0.13 116.57 119.05 2k4n h LYS 98 Ca 0.16 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 2k4n h LYS 98 Cb 0.03 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2k4n h LYS 98 CO -0.09 0.95 0.10 -0.22 -0.57 0.00 0.00 179.45 179.62 2k4n h LYS 99 N 0.24 0.60 0.00 3.15 3.64 0.15 -2.92 116.57 121.42 2k4n h LYS 99 Ca -0.03 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2k4n h LYS 99 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2k4n h LYS 99 CO 0.12 0.63 -0.47 0.00 -2.27 0.00 0.00 179.45 177.46 2k4n h ARG 100 N 0.46 0.00 -0.75 1.90 3.08 -0.99 -3.48 114.38 114.61 2k4n h ARG 100 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 2k4n h ARG 100 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2k4n h ARG 100 CO -0.00 0.00 -0.06 0.41 -1.07 0.00 0.00 179.97 179.25 2k4n n GLY 101 N 1.19 0.48 3.71 0.04 0.00 0.17 -4.98 105.19 105.80 2k4n n GLY 101 Ca 0.03 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.46 2.58 -0.49 2.61 2.01 0.22 -4.92 115.64 115.20 2k4n s THR 102 Ca 0.02 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.04 2k4n s THR 102 Cb -0.01 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.34 2k4n s THR 102 CO 0.03 0.01 1.12 -0.54 -0.69 0.00 0.00 174.62 174.55 2k4n s LYS 103 N 1.75 3.67 0.40 4.92 -0.14 -1.26 -4.87 119.74 124.20 2k4n s LYS 103 Ca 0.74 0.47 -0.11 0.00 -1.36 0.00 0.00 55.97 55.71 2k4n s LYS 103 Cb -0.44 -3.93 -0.07 0.00 -1.68 0.00 0.00 37.83 31.71 2k4n s LYS 103 CO 0.32 -1.41 0.76 -0.51 -0.76 0.00 0.00 175.35 173.75 2k4n s LEU 104 N 4.45 3.85 -0.60 3.17 1.43 -1.26 -4.98 118.68 124.74 2k4n s LEU 104 Ca 0.46 1.13 -0.27 0.00 -1.03 0.00 0.00 54.13 54.43 2k4n s LEU 104 Cb -0.07 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 2k4n s LEU 104 CO 0.30 -0.38 1.82 -1.61 0.23 0.00 0.00 176.35 176.71 2k4n s GLU 105 N -3.79 2.71 -0.62 1.70 2.02 -1.26 -4.93 118.70 114.53 2k4n s GLU 105 Ca 0.51 0.61 -0.28 0.00 0.02 0.00 0.00 54.97 55.84 2k4n s GLU 105 Cb -0.10 -4.36 0.02 0.00 0.10 0.00 0.00 34.13 29.79 2k4n s GLU 105 CO 0.30 -2.64 1.31 -1.01 0.02 0.00 0.00 175.26 173.25 2k4n s HIS 106 N 8.73 2.38 -0.11 1.61 3.76 -1.26 -5.00 115.29 125.40 2k4n s HIS 106 Ca 0.66 0.31 -0.06 0.00 -0.15 0.00 0.00 55.06 55.83 2k4n s HIS 106 Cb -0.13 -4.50 -0.04 0.00 1.11 0.00 0.00 32.58 29.02 2k4n s HIS 106 CO 0.21 -1.87 0.10 -1.01 -0.85 0.00 0.00 174.74 171.33 2k4n s HIS 107 N 5.66 3.48 0.03 1.40 3.76 -1.26 -4.99 115.29 123.37 2k4n s HIS 107 Ca 0.44 0.44 0.10 0.00 -0.15 0.00 0.00 55.06 55.89 2k4n s HIS 107 Cb -0.09 -1.90 -0.17 0.00 1.11 0.00 0.00 32.58 31.53 2k4n s HIS 107 CO 0.22 0.67 1.15 1.25 -0.85 0.00 0.00 174.74 177.18 2k4n h HIS 108 N 5.04 0.00 -3.26 1.40 2.76 -2.06 -3.42 115.15 115.61 2k4n h HIS 108 Ca -0.54 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.13 2k4n h HIS 108 Cb 1.22 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.78 2k4n h HIS 108 CO 0.73 0.90 -0.76 -1.01 -1.30 0.00 0.00 177.93 176.48 2k4n s HIS 109 N -2.74 0.96 0.08 5.26 3.76 -1.26 -5.01 115.29 116.34 2k4n s HIS 109 Ca 0.00 -0.75 -0.20 0.00 -0.15 0.00 0.00 55.06 53.96 2k4n s HIS 109 Cb 0.09 -0.99 -0.10 0.00 1.11 0.00 0.00 32.58 32.69 2k4n s HIS 109 CO 0.81 -0.57 1.57 1.12 -0.85 0.00 0.00 174.74 176.82 2k4n h HIS 110 N 8.26 0.30 0.00 1.40 -0.00 -2.02 -3.54 115.15 119.54 2k4n h HIS 110 Ca -0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 2k4n h HIS 110 Cb 1.12 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2k4n h HIS 110 CO 0.31 0.41 0.00 0.72 -0.00 0.00 0.00 177.93 179.37