#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 4.19 0.49 3.17 -0.87 -1.26 -2.79 114.94 117.86 2k4n s ASN 2 Ca 0.00 -1.51 0.17 0.00 -1.57 0.00 0.00 52.86 49.94 2k4n s ASN 2 Cb 0.00 0.30 1.17 0.00 -0.02 0.00 0.00 41.25 42.70 2k4n s ASN 2 CO 0.00 -0.81 2.07 0.77 -2.57 0.00 0.00 177.10 176.56 2k4n h SER 3 N 1.33 0.00 -0.43 -1.22 4.64 -1.93 -2.04 113.55 113.90 2k4n h SER 3 Ca -0.43 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2k4n h SER 3 Cb 1.30 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 2k4n h SER 3 CO 0.73 0.11 0.19 -0.08 -0.87 0.00 0.00 176.83 176.90 2k4n h GLU 4 N 0.00 0.37 -0.73 4.77 4.81 -1.99 -0.80 114.58 121.00 2k4n h GLU 4 Ca -0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2k4n h GLU 4 Cb 0.20 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2k4n h GLU 4 CO 0.01 0.24 0.29 0.28 -0.73 0.00 0.00 179.01 179.11 2k4n h VAL 5 N 0.38 1.25 -0.50 0.32 2.07 -1.77 -1.32 116.25 116.67 2k4n h VAL 5 Ca 0.19 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2k4n h VAL 5 Cb 0.13 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2k4n h VAL 5 CO -0.16 0.31 0.18 0.40 0.02 0.00 0.00 177.57 178.33 2k4n h ILE 6 N 1.06 1.22 -0.53 4.57 2.04 -1.30 -1.91 117.51 122.67 2k4n h ILE 6 Ca 0.24 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2k4n h ILE 6 Cb 0.20 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2k4n h ILE 6 CO -0.02 0.26 0.31 0.11 0.00 0.00 0.00 178.15 178.82 2k4n h LYS 7 N 0.68 0.60 -0.37 2.37 1.57 -0.56 0.76 116.57 121.62 2k4n h LYS 7 Ca 0.17 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 2k4n h LYS 7 Cb 0.23 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2k4n h LYS 7 CO -0.01 0.40 0.15 1.49 -0.57 0.00 0.00 179.45 180.91 2k4n h GLU 8 N 0.62 0.31 -0.37 3.15 4.57 -0.99 0.14 114.58 122.01 2k4n h GLU 8 Ca 0.22 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2k4n h GLU 8 Cb 0.04 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2k4n h GLU 8 CO -0.10 0.21 0.22 0.35 -1.18 0.00 0.00 179.01 178.51 2k4n h PHE 9 N 0.32 0.50 -0.51 0.92 3.57 -0.85 0.11 116.94 121.00 2k4n h PHE 9 Ca 0.16 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 2k4n h PHE 9 Cb 0.11 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2k4n h PHE 9 CO -0.12 0.36 0.05 -0.07 -2.23 0.00 0.00 178.31 176.30 2k4n h LEU 10 N 0.48 0.78 -0.27 0.59 3.38 -0.29 0.47 115.31 120.45 2k4n h LEU 10 Ca 0.13 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 2k4n h LEU 10 Cb 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2k4n h LEU 10 CO -0.02 0.81 -0.83 -0.33 0.09 0.00 0.00 178.44 178.16 2k4n h GLU 11 N 0.77 0.46 -0.26 1.13 5.08 -0.54 -0.52 114.58 120.70 2k4n h GLU 11 Ca 0.16 -0.42 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 2k4n h GLU 11 Cb 0.40 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2k4n h GLU 11 CO 0.01 1.07 -0.29 0.22 -1.00 0.00 0.00 179.01 179.02 2k4n h ASP 12 N 0.29 0.53 1.52 1.42 3.58 -0.25 -1.95 116.42 121.56 2k4n h ASP 12 Ca -0.06 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2k4n h ASP 12 Cb 1.44 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2k4n h ASP 12 CO 0.15 0.80 -0.20 0.16 -2.88 0.00 0.00 179.24 177.26 2k4n h ILE 13 N 0.45 0.00 -2.40 2.25 3.07 -0.94 -3.48 117.51 116.46 2k4n h ILE 13 Ca 0.06 -0.72 -0.05 0.00 1.55 0.00 0.00 64.86 65.70 2k4n h ILE 13 Cb 0.73 1.60 0.02 0.00 -0.27 0.00 0.00 36.82 38.91 2k4n h ILE 13 CO 0.06 0.00 -0.11 0.61 -1.05 0.00 0.00 178.15 177.66 2k4n n GLY 14 N 1.23 0.39 3.46 0.16 0.00 -0.44 -5.07 105.19 104.92 2k4n n GLY 14 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.35 1.64 -0.27 1.61 -6.30 -0.34 -5.03 118.70 105.67 2k4n s GLU 15 Ca 0.01 -1.71 -0.15 0.00 -2.50 0.00 0.00 54.97 50.63 2k4n s GLU 15 Cb -0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 34.13 32.30 2k4n s GLU 15 CO 0.11 0.35 0.36 0.34 0.02 0.00 0.00 175.26 176.43 2k4n s ASP 16 N -3.30 6.24 0.05 -1.70 2.15 -1.26 -4.62 116.67 114.24 2k4n s ASP 16 Ca 0.28 0.28 0.07 0.00 0.43 0.00 0.00 52.55 53.61 2k4n s ASP 16 Cb -0.06 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2k4n s ASP 16 CO 0.14 -0.16 -0.18 -0.72 -0.17 0.00 0.00 175.17 174.07 2k4n s TYR 17 N 1.99 2.55 -0.63 -5.34 1.13 -1.26 -4.86 117.35 110.92 2k4n s TYR 17 Ca 0.15 -0.26 -0.18 0.00 -1.41 0.00 0.00 57.07 55.37 2k4n s TYR 17 Cb -0.16 -1.44 0.13 0.00 -1.10 0.00 0.00 41.96 39.39 2k4n s TYR 17 CO 0.10 0.27 0.69 0.42 -2.51 0.00 0.00 175.55 174.52 2k4n s ILE 18 N -0.96 5.02 -0.17 -3.49 1.01 -0.60 -4.98 121.20 117.02 2k4n s ILE 18 Ca 0.15 -1.36 -0.19 0.00 0.00 0.00 0.00 60.65 59.25 2k4n s ILE 18 Cb -0.10 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 2k4n s ILE 18 CO 0.06 -1.08 0.56 -0.70 0.00 0.00 0.00 174.94 173.78 2k4n s GLU 19 N 2.08 4.24 0.00 2.79 2.12 -1.26 -0.21 118.70 128.46 2k4n s GLU 19 Ca 0.12 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.96 2k4n s GLU 19 Cb -0.22 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.63 2k4n s GLU 19 CO 0.02 -0.10 0.00 1.28 -0.54 0.00 0.00 175.26 175.92 2k4n n LEU 20 N 4.58 0.00 -4.56 2.70 4.77 0.15 -5.01 117.00 119.63 2k4n n LEU 20 Ca -0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 2k4n n LEU 20 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2k4n n LEU 20 CO 0.43 0.00 1.21 -1.61 -1.33 0.00 0.00 177.39 176.09 2k4n s GLU 21 N 0.51 3.18 -0.01 3.23 2.02 -1.26 -3.35 118.70 123.02 2k4n s GLU 21 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.95 2k4n s GLU 21 Cb 0.00 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 30.05 2k4n s GLU 21 CO 0.00 -2.14 0.00 0.09 0.02 0.00 0.00 175.26 173.23 2k4n n ASN 22 N 9.62 -4.58 -4.17 -0.19 3.02 -1.26 -4.98 115.26 112.72 2k4n n ASN 22 Ca 0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2k4n n ASN 22 Cb 0.49 -2.09 -0.16 0.00 -0.61 0.00 0.00 39.78 37.41 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 -1.07 2.28 -0.24 3.52 2.02 -1.21 -2.12 118.70 121.87 2k4n s GLU 23 Ca 0.00 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.30 2k4n s GLU 23 Cb 0.00 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.42 2k4n s GLU 23 CO 0.00 0.22 -0.11 0.42 0.02 0.00 0.00 175.26 175.81 2k4n s ILE 24 N 0.18 2.04 -0.22 -1.63 1.01 -0.65 0.35 121.20 122.28 2k4n s ILE 24 Ca -0.10 -1.46 -0.10 0.00 0.00 0.00 0.00 60.65 59.00 2k4n s ILE 24 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 2k4n s ILE 24 CO 0.05 0.05 0.13 -1.00 0.00 0.00 0.00 174.94 174.16 2k4n s HIS 25 N 1.18 3.32 0.50 3.97 3.76 0.70 0.24 115.29 128.96 2k4n s HIS 25 Ca -0.06 0.20 0.03 0.00 -0.15 0.00 0.00 55.06 55.07 2k4n s HIS 25 Cb -0.19 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.29 2k4n s HIS 25 CO -0.06 0.13 0.08 -0.51 -0.85 0.00 0.00 174.74 173.52 2k4n s LEU 26 N 0.75 2.47 0.29 0.89 1.43 -1.03 -1.56 118.68 121.91 2k4n s LEU 26 Ca 0.07 -1.53 -0.04 0.00 -1.03 0.00 0.00 54.13 51.60 2k4n s LEU 26 Cb -0.13 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 2k4n s LEU 26 CO 0.02 -0.83 0.54 -0.54 0.23 0.00 0.00 176.35 175.77 2k4n s LYS 27 N -3.93 3.62 0.17 1.70 1.02 -1.26 -4.77 119.74 116.29 2k4n s LYS 27 Ca 0.15 -0.03 -0.15 0.00 0.02 0.00 0.00 55.97 55.96 2k4n s LYS 27 Cb 0.02 -2.66 0.14 0.00 -0.52 0.00 0.00 37.83 34.81 2k4n s LYS 27 CO 0.09 0.22 1.70 -1.35 -0.92 0.00 0.00 175.35 175.08 2k4n h PRO 28 N 1.65 0.13 -0.18 -1.68 0.11 -1.93 0.17 132.00 130.28 2k4n h PRO 28 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2k4n h PRO 28 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2k4n h PRO 28 CO 0.66 0.09 0.05 0.93 -0.21 0.00 0.00 178.00 179.52 2k4n h GLU 29 N 0.13 0.28 -0.35 1.05 5.08 -1.95 -1.89 114.58 116.93 2k4n h GLU 29 Ca 0.22 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2k4n h GLU 29 Cb 0.31 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k4n h GLU 29 CO -0.34 0.39 0.17 0.28 -1.00 0.00 0.00 179.01 178.51 2k4n h VAL 30 N 0.11 1.17 -0.60 3.13 2.07 -1.86 -2.45 116.25 117.83 2k4n h VAL 30 Ca 0.06 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2k4n h VAL 30 Cb 0.23 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2k4n h VAL 30 CO -0.00 0.18 0.32 0.15 0.02 0.00 0.00 177.57 178.24 2k4n h PHE 31 N 0.43 0.60 -0.78 1.57 3.57 -0.57 0.17 116.94 121.92 2k4n h PHE 31 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2k4n h PHE 31 Cb 0.13 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 2k4n h PHE 31 CO -0.01 0.29 0.51 -0.92 -2.23 0.00 0.00 178.31 175.95 2k4n h TYR 32 N 0.61 0.97 -0.01 0.41 3.20 -1.11 0.57 116.97 121.62 2k4n h TYR 32 Ca 0.26 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.01 2k4n h TYR 32 Cb 0.15 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.11 2k4n h TYR 32 CO -0.09 0.59 -0.58 1.49 -1.64 0.00 0.00 178.16 177.93 2k4n h GLU 33 N 1.03 0.40 -0.58 1.82 4.81 -0.91 -3.12 114.58 118.03 2k4n h GLU 33 Ca 0.30 -0.43 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2k4n h GLU 33 Cb -0.07 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2k4n h GLU 33 CO -0.08 1.09 0.28 0.28 -0.73 0.00 0.00 179.01 179.85 2k4n h VAL 34 N -0.11 1.19 -0.04 0.32 2.07 -0.58 0.12 116.25 119.22 2k4n h VAL 34 Ca -0.07 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 66.94 2k4n h VAL 34 Cb 1.29 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2k4n h VAL 34 CO 0.11 0.23 -0.25 -0.25 0.02 0.00 0.00 177.57 177.43 2k4n h TRP 35 N 0.82 -0.66 0.00 1.57 7.01 -0.88 -0.58 115.95 123.22 2k4n h TRP 35 Ca 0.20 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.11 2k4n h TRP 35 Cb 0.09 0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 2k4n h TRP 35 CO 0.01 -0.34 -0.56 0.87 -2.79 0.00 0.00 178.44 175.63 2k4n h LYS 36 N -0.36 0.00 -0.75 2.65 1.57 -1.42 0.20 116.57 118.45 2k4n h LYS 36 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2k4n h LYS 36 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 2k4n h LYS 36 CO -0.25 0.56 0.45 -0.92 -0.57 0.00 0.00 179.45 178.73 2k4n h TYR 37 N 0.00 0.99 -0.01 -1.35 3.20 -0.22 -2.51 116.97 117.07 2k4n h TYR 37 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k4n h TYR 37 Cb 1.00 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2k4n h TYR 37 CO 0.00 0.67 -0.01 1.33 -1.64 0.00 0.00 178.16 178.51 2k4n n VAL 38 N -4.50 0.00 0.00 1.81 0.24 -0.30 -4.87 118.33 110.71 2k4n n VAL 38 Ca 0.07 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2k4n n VAL 38 Cb 0.06 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 1.12 1.26 3.10 7.63 0.00 -0.95 -4.74 105.19 112.61 2k4n n GLY 39 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.06 -1.56 -1.51 1.61 1.02 0.68 -4.98 120.64 114.84 2k4n n GLU 40 Ca 0.00 1.55 -0.29 0.00 -0.02 0.00 0.00 57.16 58.40 2k4n n GLU 40 Cb 0.00 -5.35 0.17 0.00 -0.02 0.00 0.00 31.44 26.24 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 -3.09 0.52 0.04 3.49 0.02 -1.26 -4.96 135.00 129.76 2k4n s PRO 41 Ca 0.06 0.08 -0.30 0.00 0.02 0.00 0.00 61.00 60.85 2k4n s PRO 41 Cb -0.01 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 2k4n s PRO 41 CO 0.77 -2.58 1.69 -2.00 -0.33 0.00 0.00 177.00 174.55 2k4n s GLU 42 N -5.42 4.19 -0.59 5.54 2.12 -1.26 -4.95 118.70 118.33 2k4n s GLU 42 Ca 0.67 2.34 -0.21 0.00 0.36 0.00 0.00 54.97 58.13 2k4n s GLU 42 Cb -0.12 -3.75 0.07 0.00 0.26 0.00 0.00 34.13 30.60 2k4n s GLU 42 CO 0.54 -0.79 0.82 -0.51 -0.54 0.00 0.00 175.26 174.78 2k4n s LEU 43 N 3.15 4.72 0.26 2.70 1.43 -1.26 -4.58 118.68 125.10 2k4n s LEU 43 Ca 0.76 -0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 52.64 2k4n s LEU 43 Cb -0.39 -2.47 -0.09 0.00 0.03 0.00 0.00 46.19 43.28 2k4n s LEU 43 CO 0.33 -1.20 0.84 -0.54 0.23 0.00 0.00 176.35 176.01 2k4n s LYS 44 N 3.37 4.47 -0.03 1.70 1.02 -0.43 -4.85 119.74 125.00 2k4n s LYS 44 Ca 0.19 1.14 0.07 0.00 0.02 0.00 0.00 55.97 57.39 2k4n s LYS 44 Cb -0.18 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 2k4n s LYS 44 CO 0.11 0.37 -0.24 0.95 -0.92 0.00 0.00 175.35 175.63 2k4n s THR 45 N -1.50 1.90 -0.00 2.17 -4.23 -1.26 -0.77 115.64 111.95 2k4n s THR 45 Ca 0.45 -1.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 2k4n s THR 45 Cb -0.19 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2k4n s THR 45 CO 0.23 0.53 -0.17 -0.72 -0.54 0.00 0.00 174.62 173.96 2k4n s TYR 46 N -0.46 1.51 -0.48 3.99 1.13 -0.21 -4.96 117.35 117.87 2k4n s TYR 46 Ca 0.06 -0.30 -0.16 0.00 -1.41 0.00 0.00 57.07 55.26 2k4n s TYR 46 Cb -0.10 -0.95 0.07 0.00 -1.10 0.00 0.00 41.96 39.88 2k4n s TYR 46 CO 0.00 -0.00 0.44 0.54 -2.51 0.00 0.00 175.55 174.02 2k4n s VAL 47 N -0.49 5.16 -0.19 -3.49 0.11 -1.26 -0.33 120.40 119.90 2k4n s VAL 47 Ca 0.06 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 58.00 2k4n s VAL 47 Cb -0.07 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 2k4n s VAL 47 CO -0.00 -0.63 0.41 -0.51 -3.33 0.00 0.00 175.10 171.04 2k4n s ILE 48 N 1.85 5.19 -0.51 7.04 2.07 0.14 -4.83 121.20 132.15 2k4n s ILE 48 Ca 0.06 0.74 -0.20 0.00 -1.41 0.00 0.00 60.65 59.84 2k4n s ILE 48 Cb -0.23 -3.74 0.05 0.00 0.13 0.00 0.00 42.46 38.67 2k4n s ILE 48 CO 0.08 0.25 0.70 -0.70 -1.91 0.00 0.00 174.94 173.36 2k4n s GLU 49 N 1.27 3.18 -0.21 3.50 2.12 -1.26 -0.67 118.70 126.62 2k4n s GLU 49 Ca 0.20 -0.72 -0.17 0.00 0.36 0.00 0.00 54.97 54.64 2k4n s GLU 49 Cb -0.15 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.13 2k4n s GLU 49 CO 0.08 -1.28 0.47 -0.51 -0.54 0.00 0.00 175.26 173.48 2k4n s ASP 50 N 2.70 6.48 -0.64 -1.70 1.01 0.28 -4.86 116.67 119.95 2k4n s ASP 50 Ca 0.19 0.58 -0.18 0.00 0.71 0.00 0.00 52.55 53.85 2k4n s ASP 50 Cb -0.17 -2.27 0.12 0.00 1.01 0.00 0.00 42.92 41.61 2k4n s ASP 50 CO 0.14 -0.16 0.73 -1.61 0.21 0.00 0.00 175.17 174.48 2k4n s GLU 51 N 1.65 3.14 -0.25 8.23 2.02 -1.26 -1.02 118.70 131.20 2k4n s GLU 51 Ca 0.21 -1.52 -0.17 0.00 0.02 0.00 0.00 54.97 53.52 2k4n s GLU 51 Cb -0.15 -4.34 -0.03 0.00 0.10 0.00 0.00 34.13 29.70 2k4n s GLU 51 CO 0.09 -1.52 0.48 -1.50 0.02 0.00 0.00 175.26 172.83 2k4n s ILE 52 N 2.32 5.10 -0.07 -1.63 2.07 0.11 -4.91 121.20 124.19 2k4n s ILE 52 Ca 0.13 0.82 -0.19 0.00 -1.41 0.00 0.00 60.65 60.00 2k4n s ILE 52 Cb -0.22 -3.80 -0.05 0.00 0.13 0.00 0.00 42.46 38.53 2k4n s ILE 52 CO 0.03 0.12 0.52 -0.69 -1.91 0.00 0.00 174.94 173.01 2k4n s VAL 53 N 2.14 5.09 -0.22 4.00 1.01 -1.26 -1.67 120.40 129.49 2k4n s VAL 53 Ca 0.20 1.07 -0.22 0.00 0.00 0.00 0.00 61.98 63.03 2k4n s VAL 53 Cb -0.16 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2k4n s VAL 53 CO 0.09 0.36 0.70 -1.61 0.00 0.00 0.00 175.10 174.65 2k4n s GLU 54 N 0.28 4.20 -0.18 2.72 2.02 -1.26 -4.99 118.70 121.49 2k4n s GLU 54 Ca 0.28 0.73 -0.29 0.00 0.02 0.00 0.00 54.97 55.71 2k4n s GLU 54 Cb -0.16 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 2k4n s GLU 54 CO 0.13 -0.35 2.01 -2.14 0.02 0.00 0.00 175.26 174.93 2k4n s PRO 55 N 2.27 3.49 -0.17 0.39 0.02 -1.26 -4.83 135.00 134.91 2k4n s PRO 55 Ca 0.31 2.01 0.21 0.00 0.02 0.00 0.00 61.00 63.54 2k4n s PRO 55 Cb -0.16 -4.25 0.47 0.00 0.02 0.00 0.00 34.50 30.58 2k4n s PRO 55 CO 0.10 -1.69 1.15 0.41 -0.33 0.00 0.00 177.00 176.64 2k4n n GLY 56 N 5.27 2.46 1.26 0.52 0.00 -1.26 -4.82 105.19 108.61 2k4n n GLY 56 Ca 0.25 -1.23 0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.30 2.58 0.01 1.61 1.02 -1.26 -3.90 120.64 120.39 2k4n n GLU 57 Ca 0.13 -2.45 0.12 0.00 -0.02 0.00 0.00 57.16 54.94 2k4n n GLU 57 Cb 0.93 -1.53 0.32 0.00 -0.02 0.00 0.00 31.44 31.13 2k4n n GLU 57 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2k4n n TYR 58 N 1.50 0.07 -3.81 -0.32 9.36 -1.26 -4.86 117.16 117.85 2k4n n TYR 58 Ca 0.23 0.02 -0.13 0.00 3.32 0.00 0.00 57.90 61.34 2k4n n TYR 58 Cb 0.57 -0.35 -0.12 0.00 -0.63 0.00 0.00 39.34 38.81 2k4n n TYR 58 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2k4n s ASP 59 N -3.16 -0.19 -0.36 2.98 2.15 -1.25 -5.11 116.67 111.73 2k4n s ASP 59 Ca 0.11 0.38 -0.39 0.00 0.43 0.00 0.00 52.55 53.08 2k4n s ASP 59 Cb 0.17 0.38 -0.15 0.00 -0.30 0.00 0.00 42.92 43.02 2k4n s ASP 59 CO 0.67 -0.07 2.01 -2.65 -0.17 0.00 0.00 175.17 174.96 2k4n n PRO 60 N 3.01 0.88 -1.70 4.34 -0.02 -1.26 -4.83 135.00 135.42 2k4n n PRO 60 Ca -0.13 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 2k4n n PRO 60 Cb 0.59 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2k4n n PRO 60 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k4n n PRO 61 N 6.99 2.62 -0.12 0.52 -0.04 -1.26 -4.90 135.00 138.80 2k4n n PRO 61 Ca 0.38 0.95 -0.09 0.00 -0.04 0.00 0.00 63.50 64.70 2k4n n PRO 61 Cb 0.14 -2.80 -0.01 0.00 -0.04 0.00 0.00 33.50 30.79 2k4n n PRO 61 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k4n h GLU 62 N 7.31 0.56 -4.92 0.54 5.08 -1.96 -3.41 114.58 117.78 2k4n h GLU 62 Ca -0.45 -0.10 -0.62 0.00 -1.00 0.00 0.00 59.36 57.20 2k4n h GLU 62 Cb 1.22 -0.09 -0.34 0.00 0.50 0.00 0.00 28.75 30.04 2k4n h GLU 62 CO 0.94 0.53 -0.85 -1.64 -1.00 0.00 0.00 179.01 176.99 2k4n s MET 63 N -5.58 2.50 0.27 2.33 -1.94 -1.26 -5.02 119.30 110.60 2k4n s MET 63 Ca -0.13 -0.67 -0.03 0.00 -1.71 0.00 0.00 55.69 53.15 2k4n s MET 63 Cb 0.10 -2.06 0.36 0.00 2.01 0.00 0.00 34.83 35.24 2k4n s MET 63 CO 0.75 -0.02 1.85 0.87 -0.01 0.00 0.00 175.02 178.45 2k4n h LYS 64 N 7.30 0.97 -4.62 2.03 1.57 -2.01 -3.39 116.57 118.42 2k4n h LYS 64 Ca -0.30 -0.16 -0.70 0.00 -1.87 0.00 0.00 60.65 57.62 2k4n h LYS 64 Cb 1.19 -0.17 -0.21 0.00 0.08 0.00 0.00 32.23 33.12 2k4n h LYS 64 CO 0.51 0.79 -0.47 0.71 -0.57 0.00 0.00 179.45 180.41 2k4n s TYR 65 N -5.46 3.23 -0.04 -1.35 2.02 -1.26 -5.05 117.35 109.44 2k4n s TYR 65 Ca -0.11 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.14 2k4n s TYR 65 Cb 0.16 -2.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 2k4n s TYR 65 CO 0.81 -0.50 -0.13 0.99 -1.57 0.00 0.00 175.55 175.15 2k4n s THR 66 N 1.68 1.11 0.11 -0.71 2.01 -1.26 -5.12 115.64 113.45 2k4n s THR 66 Ca 0.05 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 2k4n s THR 66 Cb -0.18 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.28 2k4n s THR 66 CO 0.09 0.33 1.23 0.20 -0.69 0.00 0.00 174.62 175.79 2k4n s ASN 67 N 0.24 7.03 0.65 3.53 -0.87 -1.26 -5.03 114.94 119.24 2k4n s ASN 67 Ca -0.06 2.15 -0.05 0.00 -1.57 0.00 0.00 52.86 53.33 2k4n s ASN 67 Cb -0.11 -2.59 0.05 0.00 -0.02 0.00 0.00 41.25 38.57 2k4n s ASN 67 CO 0.02 -0.47 0.95 0.68 -2.57 0.00 0.00 177.10 175.71 2k4n s VAL 68 N 0.70 2.64 -0.46 1.60 -7.23 -1.26 -4.94 120.40 111.45 2k4n s VAL 68 Ca 0.58 -0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 60.30 2k4n s VAL 68 Cb -0.32 -3.10 0.04 0.00 0.56 0.00 0.00 36.38 33.56 2k4n s VAL 68 CO 0.32 -0.10 0.50 -0.54 -0.31 0.00 0.00 175.10 174.97 2k4n s LYS 69 N -5.11 3.09 -0.68 4.82 1.02 -0.67 -4.96 119.74 117.25 2k4n s LYS 69 Ca 0.58 -0.89 -0.21 0.00 0.02 0.00 0.00 55.97 55.47 2k4n s LYS 69 Cb -0.11 -4.04 0.09 0.00 -0.52 0.00 0.00 37.83 33.25 2k4n s LYS 69 CO 0.44 -1.01 0.93 0.15 -0.92 0.00 0.00 175.35 174.93 2k4n s LYS 70 N 2.24 3.16 -0.21 1.68 1.02 -1.26 -0.71 119.74 125.65 2k4n s LYS 70 Ca 0.12 -1.06 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 2k4n s LYS 70 Cb -0.19 -4.32 -0.05 0.00 -0.52 0.00 0.00 37.83 32.75 2k4n s LYS 70 CO 0.12 -1.75 0.16 0.14 -0.92 0.00 0.00 175.35 173.10 2k4n s VAL 71 N 3.58 5.38 -0.68 3.17 -7.23 -0.19 -4.92 120.40 119.51 2k4n s VAL 71 Ca 0.21 0.24 -0.23 0.00 -1.81 0.00 0.00 61.98 60.39 2k4n s VAL 71 Cb -0.17 -3.50 0.07 0.00 0.56 0.00 0.00 36.38 33.34 2k4n s VAL 71 CO 0.07 0.40 0.99 -0.54 -0.31 0.00 0.00 175.10 175.71 2k4n s LYS 72 N 0.58 3.14 -0.34 4.82 1.02 -1.26 -0.56 119.74 127.14 2k4n s LYS 72 Ca 0.09 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 2k4n s LYS 72 Cb -0.12 -4.27 -0.01 0.00 -0.52 0.00 0.00 37.83 32.92 2k4n s LYS 72 CO 0.01 -1.84 0.22 0.42 -0.92 0.00 0.00 175.35 173.24 2k4n s ILE 73 N 4.09 5.01 -0.14 2.17 1.01 0.15 -4.91 121.20 128.59 2k4n s ILE 73 Ca 0.23 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 2k4n s ILE 73 Cb -0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2k4n s ILE 73 CO 0.09 -0.05 0.98 -0.75 0.00 0.00 0.00 174.94 175.22 2k4n s LYS 74 N 1.67 4.38 0.33 2.79 2.20 -1.26 -0.68 119.74 129.16 2k4n s LYS 74 Ca 0.05 1.33 0.10 0.00 -0.36 0.00 0.00 55.97 57.09 2k4n s LYS 74 Cb -0.18 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 2k4n s LYS 74 CO 0.09 -0.37 -0.12 0.15 -0.36 0.00 0.00 175.35 174.74 2k4n s LYS 75 N 2.23 1.78 0.09 4.03 1.02 0.55 -3.39 119.74 126.05 2k4n s LYS 75 Ca 0.46 -1.90 0.09 0.00 0.02 0.00 0.00 55.97 54.64 2k4n s LYS 75 Cb -0.17 -1.71 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 2k4n s LYS 75 CO 0.15 0.18 -0.23 0.54 -0.92 0.00 0.00 175.35 175.07 2k4n s VAL 76 N -2.60 1.91 0.02 3.17 0.11 -0.41 -1.05 120.40 121.56 2k4n s VAL 76 Ca 0.32 -1.52 -0.19 0.00 -2.93 0.00 0.00 61.98 57.66 2k4n s VAL 76 Cb 0.01 -1.70 0.04 0.00 -1.53 0.00 0.00 36.38 33.20 2k4n s VAL 76 CO 0.16 0.09 0.41 -0.72 -3.33 0.00 0.00 175.10 171.71 2k4n s TYR 77 N -1.02 -0.28 0.21 1.54 1.13 0.06 -0.75 117.35 118.24 2k4n s TYR 77 Ca 0.09 0.32 0.10 0.00 -1.41 0.00 0.00 57.07 56.17 2k4n s TYR 77 Cb -0.10 0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.92 2k4n s TYR 77 CO 0.04 -0.53 -0.20 -0.59 -2.51 0.00 0.00 175.55 171.76 2k4n s PHE 78 N -2.10 2.07 0.07 -3.49 -0.12 -0.81 -1.31 117.98 112.29 2k4n s PHE 78 Ca -0.08 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.41 2k4n s PHE 78 Cb -0.02 -0.98 -0.04 0.00 -0.63 0.00 0.00 43.02 41.35 2k4n s PHE 78 CO 0.00 0.49 0.12 -1.21 -0.05 0.00 0.00 175.22 174.57 2k4n s GLU 79 N -3.08 3.05 0.52 1.99 2.02 -1.26 -0.82 118.70 121.12 2k4n s GLU 79 Ca 0.22 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.66 2k4n s GLU 79 Cb -0.05 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.38 2k4n s GLU 79 CO 0.10 0.58 0.42 0.95 0.02 0.00 0.00 175.26 177.33 2k4n s THR 80 N -1.42 1.89 0.35 3.63 -4.23 -0.68 -4.97 115.64 110.21 2k4n s THR 80 Ca 0.31 -1.44 0.22 0.00 -1.18 0.00 0.00 61.69 59.60 2k4n s THR 80 Cb -0.12 -2.33 0.21 0.00 1.34 0.00 0.00 72.50 71.60 2k4n s THR 80 CO 0.24 0.00 1.95 0.25 -0.54 0.00 0.00 174.62 176.51 2k4n h LEU 81 N 0.79 0.00 -0.31 4.79 5.85 -1.84 -2.27 115.31 122.32 2k4n h LEU 81 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2k4n h LEU 81 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2k4n h LEU 81 CO 0.57 0.22 0.00 0.47 -0.34 0.00 0.00 178.44 179.36 2k4n n ASP 82 N -3.76 0.47 -0.04 1.25 8.00 -1.26 -4.84 116.55 116.37 2k4n n ASP 82 Ca -0.01 -1.45 -0.00 0.00 0.71 0.00 0.00 54.79 54.03 2k4n n ASP 82 Cb 0.33 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k4n n ASN 83 N -0.50 -4.26 -4.70 -2.24 5.03 -0.85 -4.99 115.26 102.74 2k4n n ASN 83 Ca 0.16 0.01 -0.41 0.00 0.87 0.00 0.00 54.58 55.21 2k4n n ASN 83 Cb 0.14 -1.80 -0.04 0.00 -1.02 0.00 0.00 39.78 37.06 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 -1.61 4.95 -0.17 2.41 1.01 -1.26 -4.82 120.40 120.91 2k4n s VAL 84 Ca 0.00 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 2k4n s VAL 84 Cb 0.00 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2k4n s VAL 84 CO 0.00 0.16 -0.00 -0.13 0.00 0.00 0.00 175.10 175.13 2k4n s ARG 85 N 1.26 3.75 -0.39 2.72 0.52 -0.90 -1.69 118.95 124.21 2k4n s ARG 85 Ca 0.41 -0.47 -0.20 0.00 -0.52 0.00 0.00 55.73 54.95 2k4n s ARG 85 Cb -0.18 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2k4n s ARG 85 CO 0.19 0.22 0.63 0.08 0.02 0.00 0.00 175.30 176.44 2k4n s VAL 86 N 0.46 4.86 -0.08 3.52 1.01 0.00 -1.64 120.40 128.53 2k4n s VAL 86 Ca -0.01 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 2k4n s VAL 86 Cb -0.14 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2k4n s VAL 86 CO 0.02 -0.44 0.03 -0.69 0.00 0.00 0.00 175.10 174.03 2k4n s VAL 87 N 2.75 4.56 -0.04 2.92 1.01 0.14 -1.92 120.40 129.81 2k4n s VAL 87 Ca 0.23 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2k4n s VAL 87 Cb -0.14 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2k4n s VAL 87 CO 0.17 0.57 0.39 -0.89 0.00 0.00 0.00 175.10 175.33 2k4n s THR 88 N -0.95 0.04 0.18 3.92 2.01 0.07 -2.46 115.64 118.45 2k4n s THR 88 Ca 0.15 -0.34 -0.33 0.00 0.31 0.00 0.00 61.69 61.48 2k4n s THR 88 Cb -0.12 -0.68 -0.12 0.00 0.01 0.00 0.00 72.50 71.59 2k4n s THR 88 CO 0.04 -0.19 1.70 -0.67 -0.69 0.00 0.00 174.62 174.81 2k4n n ASP 89 N 1.38 3.73 0.18 3.53 2.03 -1.26 -1.29 116.55 124.86 2k4n n ASP 89 Ca -0.20 1.06 0.07 0.00 0.52 0.00 0.00 54.79 56.23 2k4n n ASP 89 Cb 0.56 -1.52 0.22 0.00 -0.72 0.00 0.00 41.12 39.66 2k4n n ASP 89 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2k4n h TYR 90 N 6.79 0.00 0.32 -0.67 3.20 -1.85 -2.49 116.97 122.27 2k4n h TYR 90 Ca -0.44 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2k4n h TYR 90 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2k4n h TYR 90 CO 0.66 0.33 -0.15 0.77 -1.64 0.00 0.00 178.16 178.12 2k4n h SER 91 N 0.00 -0.36 0.68 -2.11 0.02 -1.90 -0.64 113.55 109.23 2k4n h SER 91 Ca -0.00 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 2k4n h SER 91 Cb 1.08 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2k4n h SER 91 CO 0.04 -0.06 -0.46 -0.33 -1.14 0.00 0.00 176.83 174.89 2k4n h GLU 92 N -0.69 0.00 -0.06 3.45 5.08 -1.96 0.06 114.58 120.45 2k4n h GLU 92 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2k4n h GLU 92 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k4n h GLU 92 CO 0.07 0.46 0.02 0.35 -1.00 0.00 0.00 179.01 178.91 2k4n h PHE 93 N 0.00 0.10 -0.26 4.33 3.57 -1.35 -0.73 116.94 122.59 2k4n h PHE 93 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2k4n h PHE 93 Cb 0.92 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2k4n h PHE 93 CO 0.00 0.23 -0.12 1.96 -2.23 0.00 0.00 178.31 178.15 2k4n h GLN 94 N -0.07 0.43 -0.63 1.11 1.08 -0.97 -2.36 115.11 113.71 2k4n h GLN 94 Ca 0.02 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2k4n h GLN 94 Cb 0.18 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2k4n h GLN 94 CO -0.00 0.56 0.37 -0.22 -0.95 0.00 0.00 178.83 178.58 2k4n h LYS 95 N 0.41 0.68 -0.20 1.46 3.64 -0.61 -1.10 116.57 120.86 2k4n h LYS 95 Ca 0.08 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2k4n h LYS 95 Cb 0.46 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2k4n h LYS 95 CO 0.03 0.45 -0.36 0.82 -2.27 0.00 0.00 179.45 178.12 2k4n h ILE 96 N 0.70 1.29 -0.62 2.00 2.04 -0.79 0.90 117.51 123.03 2k4n h ILE 96 Ca 0.26 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2k4n h ILE 96 Cb 0.09 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2k4n h ILE 96 CO -0.14 0.45 0.29 -0.07 0.00 0.00 0.00 178.15 178.69 2k4n h LEU 97 N 0.36 0.80 -0.21 1.44 3.38 -0.87 0.35 115.31 120.57 2k4n h LEU 97 Ca 0.04 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 2k4n h LEU 97 Cb 0.80 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2k4n h LEU 97 CO 0.06 0.69 -0.73 0.11 0.09 0.00 0.00 178.44 178.66 2k4n h LYS 98 N 0.88 0.78 -0.26 1.13 1.57 -0.79 0.19 116.57 120.07 2k4n h LYS 98 Ca 0.22 -0.61 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 2k4n h LYS 98 Cb 0.11 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2k4n h LYS 98 CO -0.03 1.22 0.05 -0.22 -0.57 0.00 0.00 179.45 179.91 2k4n h LYS 99 N 0.54 0.42 -0.00 3.15 1.63 -0.16 -3.03 116.57 119.12 2k4n h LYS 99 Ca -0.04 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2k4n h LYS 99 Cb 1.36 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2k4n h LYS 99 CO 0.15 0.53 -0.41 0.54 -3.45 0.00 0.00 179.45 176.81 2k4n n ARG 100 N -4.70 0.25 -1.85 1.90 1.74 0.12 -4.94 116.66 109.18 2k4n n ARG 100 Ca -0.03 -0.14 -0.05 0.00 -0.77 0.00 0.00 57.85 56.86 2k4n n ARG 100 Cb 0.19 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.13 2k4n n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4n n GLY 101 N 1.45 0.32 0.16 -0.13 0.00 -0.23 -4.92 105.19 101.84 2k4n n GLY 101 Ca 0.08 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 0.71 -3.20 2.61 2.02 -0.98 -3.40 112.91 110.67 2k4n h THR 102 Ca -0.11 -1.90 -0.74 0.00 0.77 0.00 0.00 66.41 64.43 2k4n h THR 102 Cb 0.89 2.28 -0.22 0.00 -1.74 0.00 0.00 68.15 69.35 2k4n h THR 102 CO 0.13 0.39 0.24 -0.75 0.37 0.00 0.00 175.52 175.90 2k4n s LYS 103 N -3.09 3.41 0.40 6.66 2.20 -1.07 -5.04 119.74 123.20 2k4n s LYS 103 Ca 0.04 -1.95 -0.24 0.00 -0.36 0.00 0.00 55.97 53.46 2k4n s LYS 103 Cb 0.08 -4.49 -0.09 0.00 -1.51 0.00 0.00 37.83 31.82 2k4n s LYS 103 CO 0.72 -1.47 1.04 -0.51 -0.36 0.00 0.00 175.35 174.77 2k4n s LEU 104 N 1.49 4.13 -0.18 5.43 2.01 -1.26 -4.89 118.68 125.41 2k4n s LEU 104 Ca 0.18 2.00 0.12 0.00 0.01 0.00 0.00 54.13 56.44 2k4n s LEU 104 Cb -0.14 -4.21 -0.23 0.00 0.01 0.00 0.00 46.19 41.62 2k4n s LEU 104 CO -0.04 -0.47 0.13 -1.84 1.01 0.00 0.00 176.35 175.14 2k4n n GLU 105 N -0.10 0.68 -4.07 1.70 -0.00 -1.26 -4.84 120.64 112.74 2k4n n GLU 105 Ca 0.05 0.10 -0.33 0.00 -0.00 0.00 0.00 57.16 56.98 2k4n n GLU 105 Cb 0.50 -1.58 -0.15 0.00 -0.00 0.00 0.00 31.44 30.21 2k4n n GLU 105 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2k4n s HIS 106 N -2.52 2.95 -0.69 -1.84 3.76 -1.26 -4.97 115.29 110.72 2k4n s HIS 106 Ca -0.15 -1.75 0.25 0.00 -0.15 0.00 0.00 55.06 53.26 2k4n s HIS 106 Cb 0.07 -1.96 0.51 0.00 1.11 0.00 0.00 32.58 32.31 2k4n s HIS 106 CO 0.78 -0.80 1.47 1.58 -0.85 0.00 0.00 174.74 176.92 2k4n n HIS 107 N 4.60 0.63 -5.18 1.40 -0.00 -1.26 -4.78 115.22 110.63 2k4n n HIS 107 Ca -0.19 0.18 -0.32 0.00 0.46 0.00 0.00 57.72 57.86 2k4n n HIS 107 Cb 0.48 -0.72 -0.16 0.00 -0.12 0.00 0.00 29.99 29.46 2k4n n HIS 107 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k4n s HIS 108 N -3.14 2.54 0.39 1.57 5.65 -1.26 -5.13 115.29 115.92 2k4n s HIS 108 Ca 0.08 -0.81 0.03 0.00 0.25 0.00 0.00 55.06 54.61 2k4n s HIS 108 Cb 0.13 -1.67 -0.03 0.00 -1.18 0.00 0.00 32.58 29.83 2k4n s HIS 108 CO 0.68 -0.27 0.10 -1.01 -0.65 0.00 0.00 174.74 173.59 2k4n s HIS 109 N 0.05 1.84 0.19 3.88 0.09 -1.26 -5.05 115.29 115.03 2k4n s HIS 109 Ca -0.09 -1.17 -0.06 0.00 -0.00 0.00 0.00 55.06 53.73 2k4n s HIS 109 Cb -0.15 -1.23 0.11 0.00 -0.00 0.00 0.00 32.58 31.30 2k4n s HIS 109 CO 0.06 -0.17 1.57 1.12 -0.00 0.00 0.00 174.74 177.31 2k4n h HIS 110 N 1.84 0.93 0.00 1.40 2.07 -2.02 -3.56 115.15 115.82 2k4n h HIS 110 Ca -0.37 -0.25 0.00 0.00 -2.85 0.00 0.00 60.37 56.90 2k4n h HIS 110 Cb 1.27 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 31.04 2k4n h HIS 110 CO 1.25 1.01 0.00 1.58 -3.07 0.00 0.00 177.93 178.70