#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 5.76 0.45 3.17 -0.87 -1.26 -3.51 114.94 118.68 2k4n s ASN 2 Ca 0.00 0.65 0.22 0.00 -1.57 0.00 0.00 52.86 52.16 2k4n s ASN 2 Cb 0.00 -1.75 1.07 0.00 -0.02 0.00 0.00 41.25 40.55 2k4n s ASN 2 CO 0.00 -0.90 1.92 -1.28 -2.57 0.00 0.00 177.10 174.27 2k4n h SER 3 N 0.03 0.00 -0.66 -1.22 0.87 -1.95 -2.75 113.55 107.88 2k4n h SER 3 Ca -0.46 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.22 2k4n h SER 3 Cb 1.25 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.12 2k4n h SER 3 CO 0.60 0.23 0.20 -0.08 -0.53 0.00 0.00 176.83 177.26 2k4n h GLU 4 N 0.00 0.34 -0.82 2.24 4.81 -1.99 -0.83 114.58 118.33 2k4n h GLU 4 Ca -0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k4n h GLU 4 Cb 0.57 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2k4n h GLU 4 CO 0.03 0.22 0.48 0.28 -0.73 0.00 0.00 179.01 179.30 2k4n h VAL 5 N 0.35 1.23 -0.55 0.32 2.07 -1.88 -1.87 116.25 115.91 2k4n h VAL 5 Ca 0.35 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2k4n h VAL 5 Cb 0.51 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2k4n h VAL 5 CO -0.39 0.24 0.09 0.40 0.02 0.00 0.00 177.57 177.94 2k4n h ILE 6 N 1.12 1.25 -0.65 4.57 2.04 -1.41 -2.13 117.51 122.32 2k4n h ILE 6 Ca 0.29 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.26 2k4n h ILE 6 Cb -0.03 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 2k4n h ILE 6 CO -0.05 0.35 0.34 0.11 0.00 0.00 0.00 178.15 178.89 2k4n h LYS 7 N 0.80 0.60 -0.68 2.37 1.57 -0.63 0.11 116.57 120.71 2k4n h LYS 7 Ca 0.17 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2k4n h LYS 7 Cb 0.41 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2k4n h LYS 7 CO 0.01 0.40 0.28 0.93 -0.57 0.00 0.00 179.45 180.50 2k4n h GLU 8 N 0.62 1.01 -0.23 3.15 5.08 -1.08 0.24 114.58 123.36 2k4n h GLU 8 Ca 0.30 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2k4n h GLU 8 Cb 0.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k4n h GLU 8 CO -0.21 0.83 0.01 0.35 -1.00 0.00 0.00 179.01 179.00 2k4n h PHE 9 N 0.96 0.44 -0.20 4.33 3.57 -0.71 -2.36 116.94 122.97 2k4n h PHE 9 Ca 0.23 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 2k4n h PHE 9 Cb 0.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2k4n h PHE 9 CO 0.01 0.57 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.27 2k4n h LEU 10 N 0.18 0.43 -1.02 0.59 3.38 -0.66 -2.60 115.31 115.63 2k4n h LEU 10 Ca 0.07 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2k4n h LEU 10 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2k4n h LEU 10 CO 0.01 0.74 -0.26 -0.08 0.09 0.00 0.00 178.44 178.93 2k4n h GLU 11 N 0.36 0.39 0.42 1.13 4.81 -0.86 0.28 114.58 121.11 2k4n h GLU 11 Ca 0.04 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2k4n h GLU 11 Cb 0.75 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2k4n h GLU 11 CO 0.06 0.63 -0.20 0.22 -0.73 0.00 0.00 179.01 178.98 2k4n h ASP 12 N 0.34 -0.48 -0.36 1.04 1.82 -1.04 -3.26 116.42 114.48 2k4n h ASP 12 Ca 0.05 -0.08 -0.15 0.00 -0.39 0.00 0.00 57.03 56.46 2k4n h ASP 12 Cb 0.65 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 2k4n h ASP 12 CO 0.05 -0.20 -0.37 0.16 -1.61 0.00 0.00 179.24 177.27 2k4n h ILE 13 N -0.75 1.27 0.00 2.25 3.07 -1.45 -3.47 117.51 118.43 2k4n h ILE 13 Ca -0.06 -1.54 0.00 0.00 1.55 0.00 0.00 64.86 64.81 2k4n h ILE 13 Cb 0.52 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 2k4n h ILE 13 CO 0.09 0.52 0.00 0.61 -1.05 0.00 0.00 178.15 178.32 2k4n n GLY 14 N 0.09 0.99 3.72 0.16 0.00 0.08 -5.07 105.19 105.16 2k4n n GLY 14 Ca -0.02 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.68 4.45 -0.03 1.61 0.41 -1.20 -5.01 118.70 118.25 2k4n s GLU 15 Ca 0.00 0.93 -0.30 0.00 -0.41 0.00 0.00 54.97 55.19 2k4n s GLU 15 Cb 0.00 -3.45 -0.05 0.00 -1.78 0.00 0.00 34.13 28.85 2k4n s GLU 15 CO 0.00 0.06 1.51 -0.51 -0.49 0.00 0.00 175.26 175.82 2k4n s ASP 16 N 0.81 6.76 -0.10 -0.19 1.01 -1.26 -4.83 116.67 118.87 2k4n s ASP 16 Ca 0.39 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.80 2k4n s ASP 16 Cb -0.18 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 2k4n s ASP 16 CO 0.19 -0.82 -0.11 -0.72 0.21 0.00 0.00 175.17 173.92 2k4n s TYR 17 N 3.17 2.83 -0.79 4.23 1.13 -1.26 -4.45 117.35 122.21 2k4n s TYR 17 Ca 0.67 -0.38 -0.20 0.00 -1.41 0.00 0.00 57.07 55.75 2k4n s TYR 17 Cb -0.32 -1.79 0.11 0.00 -1.10 0.00 0.00 41.96 38.87 2k4n s TYR 17 CO 0.27 -0.01 1.00 0.42 -2.51 0.00 0.00 175.55 174.72 2k4n s ILE 18 N -0.09 4.63 -0.47 -3.49 1.01 0.24 -4.90 121.20 118.13 2k4n s ILE 18 Ca -0.01 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.27 2k4n s ILE 18 Cb -0.14 -4.70 0.03 0.00 0.01 0.00 0.00 42.46 37.66 2k4n s ILE 18 CO 0.03 -1.42 0.94 -0.70 0.00 0.00 0.00 174.94 173.79 2k4n s GLU 19 N 3.07 3.51 0.00 2.79 2.12 -1.26 0.11 118.70 129.05 2k4n s GLU 19 Ca 0.26 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.72 2k4n s GLU 19 Cb -0.12 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.33 2k4n s GLU 19 CO -0.01 -1.27 0.00 1.28 -0.54 0.00 0.00 175.26 174.72 2k4n n LEU 20 N 7.25 0.00 -4.55 2.70 4.77 0.24 -4.95 117.00 122.45 2k4n n LEU 20 Ca 0.06 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 2k4n n LEU 20 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2k4n n LEU 20 CO 0.64 -0.09 1.58 -0.70 -1.33 0.00 0.00 177.39 177.49 2k4n s GLU 21 N 1.96 2.35 -1.64 3.23 2.12 -1.26 -2.71 118.70 122.75 2k4n s GLU 21 Ca 0.00 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.87 2k4n s GLU 21 Cb 0.00 -4.66 0.00 0.00 0.26 0.00 0.00 34.13 29.73 2k4n s GLU 21 CO 0.00 -3.26 0.00 0.09 -0.54 0.00 0.00 175.26 171.55 2k4n n ASN 22 N 14.58 -4.86 -3.77 -1.70 3.02 -1.26 -4.97 115.26 116.31 2k4n n ASN 22 Ca 0.33 0.38 -0.26 0.00 -0.03 0.00 0.00 54.58 54.99 2k4n n ASN 22 Cb 0.50 -3.73 -0.17 0.00 -0.61 0.00 0.00 39.78 35.77 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 -3.33 0.74 -0.58 3.52 2.02 -1.10 -0.06 118.70 119.90 2k4n s GLU 23 Ca 0.00 -0.24 -0.19 0.00 0.02 0.00 0.00 54.97 54.55 2k4n s GLU 23 Cb 0.00 -1.70 0.09 0.00 0.10 0.00 0.00 34.13 32.62 2k4n s GLU 23 CO 0.00 -0.50 0.70 0.42 0.02 0.00 0.00 175.26 175.90 2k4n s ILE 24 N 1.87 4.81 -0.53 -1.63 1.01 0.68 0.79 121.20 128.21 2k4n s ILE 24 Ca 0.01 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.55 2k4n s ILE 24 Cb -0.15 -4.46 0.04 0.00 0.01 0.00 0.00 42.46 37.90 2k4n s ILE 24 CO -0.07 -1.07 0.98 -1.00 0.00 0.00 0.00 174.94 173.78 2k4n s HIS 25 N 2.73 2.80 0.51 3.97 3.76 0.12 -0.16 115.29 129.02 2k4n s HIS 25 Ca 0.13 0.17 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 2k4n s HIS 25 Cb -0.23 -4.12 0.03 0.00 1.11 0.00 0.00 32.58 29.36 2k4n s HIS 25 CO 0.08 -1.32 0.71 -0.51 -0.85 0.00 0.00 174.74 172.85 2k4n s LEU 26 N 4.07 3.40 0.04 0.89 1.43 0.05 -0.60 118.68 127.96 2k4n s LEU 26 Ca 0.34 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.11 2k4n s LEU 26 Cb -0.11 -2.82 -0.06 0.00 0.03 0.00 0.00 46.19 43.23 2k4n s LEU 26 CO 0.22 -1.01 0.66 -0.54 0.23 0.00 0.00 176.35 175.91 2k4n s LYS 27 N -4.63 4.38 0.29 1.70 1.02 -1.26 -4.65 119.74 116.58 2k4n s LYS 27 Ca 0.56 0.88 0.03 0.00 0.02 0.00 0.00 55.97 57.46 2k4n s LYS 27 Cb -0.10 -3.33 0.71 0.00 -0.52 0.00 0.00 37.83 34.60 2k4n s LYS 27 CO 0.37 0.40 1.67 -1.35 -0.92 0.00 0.00 175.35 175.52 2k4n h PRO 28 N 5.36 0.30 -0.62 -1.68 0.11 -1.93 0.19 132.00 133.73 2k4n h PRO 28 Ca -0.46 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2k4n h PRO 28 Cb 1.20 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2k4n h PRO 28 CO 0.69 0.20 0.34 1.49 -0.21 0.00 0.00 178.00 180.50 2k4n h GLU 29 N 0.31 0.61 0.02 1.05 4.57 -1.93 -0.92 114.58 118.28 2k4n h GLU 29 Ca 0.55 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.61 2k4n h GLU 29 Cb 1.08 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2k4n h GLU 29 CO -0.58 0.40 -0.36 0.28 -1.18 0.00 0.00 179.01 177.58 2k4n h VAL 30 N 0.63 1.54 -0.88 0.32 2.07 -1.24 -3.25 116.25 115.45 2k4n h VAL 30 Ca 0.28 -2.08 0.09 0.00 0.82 0.00 0.00 66.70 65.81 2k4n h VAL 30 Cb 0.17 2.84 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 2k4n h VAL 30 CO -0.18 0.57 0.57 0.15 0.02 0.00 0.00 177.57 178.71 2k4n h PHE 31 N -0.46 0.95 -0.35 1.57 3.57 -0.68 0.25 116.94 121.80 2k4n h PHE 31 Ca -0.05 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2k4n h PHE 31 Cb 1.14 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2k4n h PHE 31 CO 0.18 0.45 0.24 -0.92 -2.23 0.00 0.00 178.31 176.04 2k4n h TYR 32 N 0.90 0.26 0.04 0.41 3.20 -1.20 -0.07 116.97 120.52 2k4n h TYR 32 Ca 0.40 0.01 -0.36 0.00 3.14 0.00 0.00 58.73 61.91 2k4n h TYR 32 Cb 0.36 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2k4n h TYR 32 CO -0.00 0.15 -2.19 0.39 -1.64 0.00 0.00 178.16 174.87 2k4n n GLU 33 N -4.48 0.69 -0.08 1.82 -0.58 -0.15 -4.22 120.64 113.64 2k4n n GLU 33 Ca 0.04 0.19 -0.00 0.00 -0.42 0.00 0.00 57.16 56.96 2k4n n GLU 33 Cb 0.23 -1.63 0.27 0.00 -0.57 0.00 0.00 31.44 29.74 2k4n n GLU 33 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k4n h VAL 34 N 0.03 1.19 -0.84 2.62 2.07 -0.37 -1.43 116.25 119.53 2k4n h VAL 34 Ca -0.48 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 66.51 2k4n h VAL 34 Cb 2.01 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 2k4n h VAL 34 CO 0.01 0.24 0.54 -0.25 0.02 0.00 0.00 177.57 178.14 2k4n h TRP 35 N 0.71 0.81 -0.06 1.57 7.01 -1.19 -1.34 115.95 123.45 2k4n h TRP 35 Ca 0.17 0.02 -0.23 0.00 2.11 0.00 0.00 58.89 60.96 2k4n h TRP 35 Cb 0.19 -0.26 0.02 0.00 -2.10 0.00 0.00 29.16 27.00 2k4n h TRP 35 CO 0.01 0.36 -0.84 0.87 -2.79 0.00 0.00 178.44 176.05 2k4n h LYS 36 N 0.74 0.68 -0.86 2.65 1.57 -1.46 0.47 116.57 120.35 2k4n h LYS 36 Ca 0.40 -0.65 0.05 0.00 -1.87 0.00 0.00 60.65 58.57 2k4n h LYS 36 Cb 0.52 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 2k4n h LYS 36 CO -0.16 1.25 0.55 -0.92 -0.57 0.00 0.00 179.45 179.59 2k4n h TYR 37 N 0.35 1.02 -0.04 -1.35 3.20 -0.50 -0.98 116.97 118.67 2k4n h TYR 37 Ca -0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2k4n h TYR 37 Cb 1.50 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2k4n h TYR 37 CO 0.11 0.56 0.00 1.33 -1.64 0.00 0.00 178.16 178.51 2k4n n VAL 38 N -4.58 0.04 -1.11 1.81 0.24 -0.61 -4.91 118.33 109.21 2k4n n VAL 38 Ca 0.11 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2k4n n VAL 38 Cb 0.13 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 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 1.06 0.93 3.45 7.63 0.00 -0.37 -4.55 105.19 113.33 2k4n n GLY 39 Ca 0.19 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.25 -1.40 -1.65 1.61 4.71 0.15 -4.99 120.64 118.82 2k4n n GLU 40 Ca 0.00 0.98 -0.29 0.00 -0.01 0.00 0.00 57.16 57.84 2k4n n GLU 40 Cb 0.23 -4.25 0.21 0.00 -1.01 0.00 0.00 31.44 26.62 2k4n n GLU 40 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2k4n n PRO 41 N -2.69 -1.74 -2.15 3.49 -0.04 -1.26 -4.99 135.00 125.62 2k4n n PRO 41 Ca -0.13 -1.94 -0.42 0.00 -0.04 0.00 0.00 63.50 60.98 2k4n n PRO 41 Cb 0.59 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 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 -5.74 4.33 -0.39 0.54 0.41 -1.26 -4.99 118.70 111.60 2k4n s GLU 42 Ca 0.73 2.12 -0.09 0.00 -0.41 0.00 0.00 54.97 57.31 2k4n s GLU 42 Cb -0.03 -3.21 0.05 0.00 -1.78 0.00 0.00 34.13 29.17 2k4n s GLU 42 CO 0.52 -0.38 0.21 -0.51 -0.49 0.00 0.00 175.26 174.61 2k4n s LEU 43 N 0.51 4.85 -0.29 1.80 1.43 -1.26 -4.42 118.68 121.30 2k4n s LEU 43 Ca 0.62 -1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 2k4n s LEU 43 Cb -0.38 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2k4n s LEU 43 CO 0.35 -0.45 0.70 -0.54 0.23 0.00 0.00 176.35 176.64 2k4n s LYS 44 N 1.47 3.99 -0.28 1.70 1.02 0.24 -4.87 119.74 123.01 2k4n s LYS 44 Ca 0.02 0.50 -0.15 0.00 0.02 0.00 0.00 55.97 56.36 2k4n s LYS 44 Cb -0.21 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.36 2k4n s LYS 44 CO 0.04 -0.57 0.38 0.95 -0.92 0.00 0.00 175.35 175.24 2k4n s THR 45 N 2.72 5.16 0.17 2.17 -4.23 -1.26 -0.87 115.64 119.50 2k4n s THR 45 Ca 0.29 0.53 0.11 0.00 -1.18 0.00 0.00 61.69 61.43 2k4n s THR 45 Cb -0.15 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 2k4n s THR 45 CO 0.11 0.12 -0.21 -0.72 -0.54 0.00 0.00 174.62 173.37 2k4n s TYR 46 N 2.09 2.39 -0.35 3.99 1.13 0.39 -4.95 117.35 122.04 2k4n s TYR 46 Ca 0.15 -0.33 -0.11 0.00 -1.41 0.00 0.00 57.07 55.38 2k4n s TYR 46 Cb -0.16 -1.21 0.01 0.00 -1.10 0.00 0.00 41.96 39.50 2k4n s TYR 46 CO 0.10 0.46 0.19 0.08 -2.51 0.00 0.00 175.55 173.87 2k4n s VAL 47 N -1.49 4.62 -0.24 -3.49 1.01 -1.26 -1.14 120.40 118.42 2k4n s VAL 47 Ca 0.20 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 2k4n s VAL 47 Cb -0.09 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2k4n s VAL 47 CO 0.10 -0.11 0.13 -0.51 0.00 0.00 0.00 175.10 174.71 2k4n s ILE 48 N 1.59 5.00 -0.34 2.22 2.07 0.11 -4.90 121.20 126.95 2k4n s ILE 48 Ca 0.03 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.22 2k4n s ILE 48 Cb -0.18 -3.33 0.01 0.00 0.13 0.00 0.00 42.46 39.08 2k4n s ILE 48 CO 0.07 0.35 0.19 -1.61 -1.91 0.00 0.00 174.94 172.02 2k4n s GLU 49 N 1.18 3.13 0.44 3.50 2.02 -1.26 -0.48 118.70 127.23 2k4n s GLU 49 Ca 0.06 -0.87 0.06 0.00 0.02 0.00 0.00 54.97 54.24 2k4n s GLU 49 Cb -0.14 -3.68 -0.05 0.00 0.10 0.00 0.00 34.13 30.36 2k4n s GLU 49 CO 0.05 -0.55 0.10 0.34 0.02 0.00 0.00 175.26 175.22 2k4n s ASP 50 N 1.60 4.19 0.78 -0.19 2.15 -0.67 -4.91 116.67 119.62 2k4n s ASP 50 Ca 0.04 -1.30 -0.11 0.00 0.43 0.00 0.00 52.55 51.60 2k4n s ASP 50 Cb -0.18 -0.20 0.06 0.00 -0.30 0.00 0.00 42.92 42.30 2k4n s ASP 50 CO 0.07 -0.61 1.08 -1.61 -0.17 0.00 0.00 175.17 173.93 2k4n s GLU 51 N -3.86 2.23 -0.56 4.34 2.02 -1.26 0.35 118.70 121.96 2k4n s GLU 51 Ca 0.32 0.87 -0.26 0.00 0.02 0.00 0.00 54.97 55.92 2k4n s GLU 51 Cb 0.05 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 2k4n s GLU 51 CO 0.17 -1.58 2.10 -1.50 0.02 0.00 0.00 175.26 174.48 2k4n s ILE 52 N -3.03 3.20 0.01 -1.63 2.07 -0.08 -4.44 121.20 117.30 2k4n s ILE 52 Ca 0.60 0.12 -0.18 0.00 -1.41 0.00 0.00 60.65 59.78 2k4n s ILE 52 Cb -0.15 -3.54 -0.06 0.00 0.13 0.00 0.00 42.46 38.84 2k4n s ILE 52 CO 0.55 -0.52 0.52 0.68 -1.91 0.00 0.00 174.94 174.26 2k4n s VAL 53 N 10.46 4.91 0.11 4.00 -7.23 -1.26 -5.02 120.40 126.37 2k4n s VAL 53 Ca 0.80 1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 61.96 2k4n s VAL 53 Cb -0.14 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 32.89 2k4n s VAL 53 CO 0.23 0.50 0.45 -1.83 -0.31 0.00 0.00 175.10 174.14 2k4n s GLU 54 N -0.67 3.82 0.00 4.82 4.04 -1.26 -4.99 118.70 124.45 2k4n s GLU 54 Ca 0.28 0.25 0.22 0.00 0.04 0.00 0.00 54.97 55.76 2k4n s GLU 54 Cb -0.18 -2.94 0.57 0.00 0.02 0.00 0.00 34.13 31.60 2k4n s GLU 54 CO 0.16 0.51 1.49 -0.35 -1.84 0.00 0.00 175.26 175.23 2k4n n PRO 55 N 0.75 2.57 0.00 -4.83 -0.04 -1.26 -4.67 135.00 127.52 2k4n n PRO 55 Ca -0.06 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.97 2k4n n PRO 55 Cb 0.52 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2k4n n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4n n GLY 56 N 1.58 0.00 2.67 0.55 0.00 -1.26 -5.02 105.19 103.70 2k4n n GLY 56 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 2k4n n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k4n n GLU 57 N 0.00 1.66 -0.15 1.61 2.13 -1.26 -4.92 120.64 119.71 2k4n n GLU 57 Ca 0.00 -3.49 0.08 0.00 0.66 0.00 0.00 57.16 54.41 2k4n n GLU 57 Cb 0.00 -1.50 0.40 0.00 0.27 0.00 0.00 31.44 30.60 2k4n n GLU 57 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2k4n h TYR 58 N 2.79 0.66 -3.42 4.31 3.20 -1.95 -3.28 116.97 119.28 2k4n h TYR 58 Ca -0.05 0.02 -0.71 0.00 3.14 0.00 0.00 58.73 61.12 2k4n h TYR 58 Cb 1.21 -0.22 -0.32 0.00 1.54 0.00 0.00 36.73 38.94 2k4n h TYR 58 CO 0.55 0.34 -0.42 0.34 -1.64 0.00 0.00 178.16 177.33 2k4n s ASP 59 N -6.22 5.53 0.37 -2.11 2.15 -1.26 -5.09 116.67 110.04 2k4n s ASP 59 Ca -0.09 -2.13 -0.07 0.00 0.43 0.00 0.00 52.55 50.69 2k4n s ASP 59 Cb 0.19 -1.94 -0.05 0.00 -0.30 0.00 0.00 42.92 40.82 2k4n s ASP 59 CO 0.76 -0.59 0.68 -2.16 -0.17 0.00 0.00 175.17 173.69 2k4n s PRO 60 N 1.02 3.67 -0.33 4.34 0.04 -1.24 -5.04 135.00 137.46 2k4n s PRO 60 Ca 0.09 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.05 2k4n s PRO 60 Cb -0.23 -2.50 -0.00 0.00 0.04 0.00 0.00 34.50 31.80 2k4n s PRO 60 CO -0.03 0.04 1.41 -1.25 0.04 0.00 0.00 177.00 177.21 2k4n s PRO 61 N -3.89 3.75 -0.27 0.56 0.04 -1.26 -4.95 135.00 128.97 2k4n s PRO 61 Ca 0.47 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 2k4n s PRO 61 Cb -0.10 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 2k4n s PRO 61 CO 0.33 -1.34 1.93 -1.21 0.04 0.00 0.00 177.00 176.75 2k4n s GLU 62 N 4.58 3.33 0.38 4.56 2.02 -1.26 -4.97 118.70 127.33 2k4n s GLU 62 Ca 0.61 1.68 0.08 0.00 0.02 0.00 0.00 54.97 57.35 2k4n s GLU 62 Cb -0.17 -4.24 -0.02 0.00 0.10 0.00 0.00 34.13 29.80 2k4n s GLU 62 CO 0.28 -1.87 0.37 -1.64 0.02 0.00 0.00 175.26 172.42 2k4n s MET 63 N 5.77 2.69 -0.21 1.61 -1.94 -1.26 -5.07 119.30 120.89 2k4n s MET 63 Ca 0.86 -1.36 -0.22 0.00 -1.71 0.00 0.00 55.69 53.27 2k4n s MET 63 Cb -0.27 -2.50 -0.19 0.00 2.01 0.00 0.00 34.83 33.88 2k4n s MET 63 CO 0.34 -0.06 0.21 0.87 -0.01 0.00 0.00 175.02 176.37 2k4n h LYS 64 N 1.06 0.00 -2.14 2.03 1.57 -2.07 -3.40 116.57 113.63 2k4n h LYS 64 Ca -0.43 -0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 57.60 2k4n h LYS 64 Cb 1.26 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.27 2k4n h LYS 64 CO 0.56 1.00 0.64 0.66 -0.57 0.00 0.00 179.45 181.74 2k4n n TYR 65 N -4.43 3.08 -1.76 -1.35 4.01 -1.26 -5.02 117.16 110.43 2k4n n TYR 65 Ca -0.32 -2.77 -0.42 0.00 -0.16 0.00 0.00 57.90 54.22 2k4n n TYR 65 Cb 0.68 -1.00 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 2k4n n TYR 65 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2k4n s THR 66 N -4.64 2.63 -0.29 -0.72 -4.23 -1.26 -4.94 115.64 102.20 2k4n s THR 66 Ca 0.45 0.14 -0.29 0.00 -1.18 0.00 0.00 61.69 60.81 2k4n s THR 66 Cb 0.28 -3.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 2k4n s THR 66 CO -0.21 -0.00 1.34 0.21 -0.54 0.00 0.00 174.62 175.42 2k4n s ASN 67 N 2.62 6.65 -0.28 3.99 2.47 -1.26 -4.99 114.94 124.14 2k4n s ASN 67 Ca 0.79 1.27 -0.22 0.00 0.42 0.00 0.00 52.86 55.13 2k4n s ASN 67 Cb -0.45 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 36.80 2k4n s ASN 67 CO 0.35 -1.09 0.71 -0.69 -3.72 0.00 0.00 177.10 172.66 2k4n s VAL 68 N 4.44 4.90 -0.01 -5.21 1.01 -1.26 -5.05 120.40 119.22 2k4n s VAL 68 Ca 0.58 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.77 2k4n s VAL 68 Cb -0.18 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2k4n s VAL 68 CO 0.23 -0.10 -0.12 -0.75 0.00 0.00 0.00 175.10 174.36 2k4n s LYS 69 N 2.70 2.42 0.07 2.72 2.20 -1.26 -5.06 119.74 123.53 2k4n s LYS 69 Ca 0.29 -0.77 0.05 0.00 -0.36 0.00 0.00 55.97 55.18 2k4n s LYS 69 Cb -0.15 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.75 2k4n s LYS 69 CO 0.10 0.60 -0.05 0.15 -0.36 0.00 0.00 175.35 175.78 2k4n s LYS 70 N -1.12 2.41 -0.19 4.03 1.02 -1.26 -0.91 119.74 123.72 2k4n s LYS 70 Ca 0.14 -0.86 -0.04 0.00 0.02 0.00 0.00 55.97 55.23 2k4n s LYS 70 Cb -0.11 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 2k4n s LYS 70 CO 0.04 0.55 -0.04 0.14 -0.92 0.00 0.00 175.35 175.12 2k4n s VAL 71 N -1.18 3.58 -0.79 3.17 -7.23 0.15 -4.84 120.40 113.26 2k4n s VAL 71 Ca 0.22 -0.44 -0.21 0.00 -1.81 0.00 0.00 61.98 59.74 2k4n s VAL 71 Cb -0.11 -2.60 0.10 0.00 0.56 0.00 0.00 36.38 34.32 2k4n s VAL 71 CO 0.13 0.45 1.05 -0.54 -0.31 0.00 0.00 175.10 175.88 2k4n s LYS 72 N 1.03 3.34 -0.13 4.82 1.02 -1.26 -1.67 119.74 126.89 2k4n s LYS 72 Ca 0.01 -1.26 -0.19 0.00 0.02 0.00 0.00 55.97 54.55 2k4n s LYS 72 Cb -0.15 -4.58 -0.04 0.00 -0.52 0.00 0.00 37.83 32.55 2k4n s LYS 72 CO 0.00 -1.81 0.51 0.42 -0.92 0.00 0.00 175.35 173.56 2k4n s ILE 73 N 3.47 5.16 -0.36 2.17 1.01 0.37 -4.90 121.20 128.12 2k4n s ILE 73 Ca 0.27 1.01 -0.13 0.00 0.00 0.00 0.00 60.65 61.80 2k4n s ILE 73 Cb -0.11 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2k4n s ILE 73 CO 0.01 0.29 0.24 -0.75 0.00 0.00 0.00 174.94 174.72 2k4n s LYS 74 N 0.84 3.22 0.35 2.79 2.20 -1.26 0.04 119.74 127.92 2k4n s LYS 74 Ca 0.27 -0.83 0.07 0.00 -0.36 0.00 0.00 55.97 55.12 2k4n s LYS 74 Cb -0.15 -3.81 -0.07 0.00 -1.51 0.00 0.00 37.83 32.29 2k4n s LYS 74 CO 0.11 -0.57 -0.04 0.15 -0.36 0.00 0.00 175.35 174.65 2k4n s LYS 75 N 1.67 1.79 0.07 4.03 1.02 -0.29 -3.17 119.74 124.85 2k4n s LYS 75 Ca 0.05 -1.96 0.07 0.00 0.02 0.00 0.00 55.97 54.15 2k4n s LYS 75 Cb -0.18 -1.47 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 2k4n s LYS 75 CO 0.09 0.02 -0.19 0.54 -0.92 0.00 0.00 175.35 174.89 2k4n s VAL 76 N -2.81 1.53 0.06 3.17 0.11 -0.07 -0.46 120.40 121.94 2k4n s VAL 76 Ca 0.33 -1.30 -0.17 0.00 -2.93 0.00 0.00 61.98 57.91 2k4n s VAL 76 Cb 0.06 -1.38 0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2k4n s VAL 76 CO 0.16 0.03 0.39 -0.72 -3.33 0.00 0.00 175.10 171.63 2k4n s TYR 77 N -0.99 -0.22 0.20 1.54 -0.85 -0.05 -0.37 117.35 116.61 2k4n s TYR 77 Ca 0.05 0.11 0.09 0.00 -0.52 0.00 0.00 57.07 56.80 2k4n s TYR 77 Cb -0.09 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 2k4n s TYR 77 CO 0.03 -0.58 -0.17 -0.59 -1.52 0.00 0.00 175.55 172.71 2k4n s PHE 78 N -2.75 1.86 0.03 -3.49 -0.71 -0.94 -0.59 117.98 111.39 2k4n s PHE 78 Ca -0.04 -0.48 0.03 0.00 -1.04 0.00 0.00 56.93 55.40 2k4n s PHE 78 Cb -0.00 -0.88 -0.04 0.00 -1.21 0.00 0.00 43.02 40.89 2k4n s PHE 78 CO -0.04 0.41 -0.02 -1.21 -1.34 0.00 0.00 175.22 173.01 2k4n s GLU 79 N -3.22 2.63 0.58 1.99 2.02 -1.26 -0.75 118.70 120.69 2k4n s GLU 79 Ca 0.21 -0.72 0.09 0.00 0.02 0.00 0.00 54.97 54.56 2k4n s GLU 79 Cb -0.04 -2.58 0.08 0.00 0.10 0.00 0.00 34.13 31.70 2k4n s GLU 79 CO 0.08 0.59 0.71 0.95 0.02 0.00 0.00 175.26 177.61 2k4n s THR 80 N -1.14 1.92 0.02 3.63 -4.23 -0.89 -4.99 115.64 109.97 2k4n s THR 80 Ca 0.21 -1.13 0.32 0.00 -1.18 0.00 0.00 61.69 59.91 2k4n s THR 80 Cb -0.11 -2.05 0.35 0.00 1.34 0.00 0.00 72.50 72.02 2k4n s THR 80 CO 0.12 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.09 2k4n h LEU 81 N 0.28 0.00 -1.94 4.79 4.07 -1.90 -2.14 115.31 118.47 2k4n h LEU 81 Ca -0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2k4n h LEU 81 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 2k4n h LEU 81 CO 0.45 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.28 2k4n n ASP 82 N -2.80 2.83 0.00 -0.43 8.00 -1.26 -4.88 116.55 118.01 2k4n n ASP 82 Ca 0.00 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.51 2k4n n ASP 82 Cb 0.22 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 1.05 -0.90 -4.63 -2.24 5.15 -0.80 -4.94 115.26 107.94 2k4n n ASN 83 Ca 0.18 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.73 2k4n n ASN 83 Cb 0.45 -1.44 -0.02 0.00 -0.53 0.00 0.00 39.78 38.23 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 -2.26 3.92 -0.29 3.44 1.01 -1.26 -4.74 120.40 120.22 2k4n s VAL 84 Ca 0.00 1.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.86 2k4n s VAL 84 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2k4n s VAL 84 CO 0.00 -0.34 0.45 -0.13 0.00 0.00 0.00 175.10 175.08 2k4n s ARG 85 N 4.34 3.92 -0.56 2.72 0.52 0.91 -2.10 118.95 128.69 2k4n s ARG 85 Ca 0.64 0.06 -0.24 0.00 -0.52 0.00 0.00 55.73 55.68 2k4n s ARG 85 Cb -0.22 -3.70 0.05 0.00 0.52 0.00 0.00 34.95 31.60 2k4n s ARG 85 CO 0.25 -0.40 0.92 0.08 0.02 0.00 0.00 175.30 176.18 2k4n s VAL 86 N 2.22 4.41 -0.09 3.52 1.01 0.07 -0.23 120.40 131.31 2k4n s VAL 86 Ca 0.18 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2k4n s VAL 86 Cb -0.16 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2k4n s VAL 86 CO 0.11 -1.14 0.11 -0.69 0.00 0.00 0.00 175.10 173.48 2k4n s VAL 87 N 3.87 5.14 -0.02 2.92 1.01 0.78 -2.21 120.40 131.90 2k4n s VAL 87 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 2k4n s VAL 87 Cb -0.14 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2k4n s VAL 87 CO 0.17 0.56 0.36 -0.89 0.00 0.00 0.00 175.10 175.30 2k4n s THR 88 N -1.04 0.05 0.08 3.92 2.01 0.50 -0.77 115.64 120.39 2k4n s THR 88 Ca 0.17 -0.41 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 2k4n s THR 88 Cb -0.12 -0.67 -0.08 0.00 0.01 0.00 0.00 72.50 71.64 2k4n s THR 88 CO 0.06 -0.23 1.63 -0.62 -0.69 0.00 0.00 174.62 174.78 2k4n s ASP 89 N -1.31 6.61 0.34 3.53 -1.08 -1.26 -0.89 116.67 122.60 2k4n s ASP 89 Ca -0.13 2.49 0.18 0.00 -0.52 0.00 0.00 52.55 54.57 2k4n s ASP 89 Cb -0.04 -2.57 0.42 0.00 -1.46 0.00 0.00 42.92 39.27 2k4n s ASP 89 CO 0.05 -0.87 1.61 0.22 0.52 0.00 0.00 175.17 176.70 2k4n h TYR 90 N 8.08 0.00 -0.05 -5.34 3.20 -1.83 -0.68 116.97 120.34 2k4n h TYR 90 Ca -0.42 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.32 2k4n h TYR 90 Cb 1.20 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.48 2k4n h TYR 90 CO 0.76 0.42 -0.46 1.03 -1.64 0.00 0.00 178.16 178.26 2k4n h SER 91 N 0.00 0.50 0.52 -2.11 0.87 -1.91 0.05 113.55 111.47 2k4n h SER 91 Ca -0.00 -0.69 -0.11 0.00 -1.23 0.00 0.00 61.79 59.76 2k4n h SER 91 Cb 1.12 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 2k4n h SER 91 CO 0.05 1.11 -0.52 -0.33 -0.53 0.00 0.00 176.83 176.62 2k4n h GLU 92 N -0.07 0.00 0.16 2.24 4.39 -1.93 0.53 114.58 119.90 2k4n h GLU 92 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2k4n h GLU 92 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2k4n h GLU 92 CO 0.09 0.52 -0.08 0.35 -1.16 0.00 0.00 179.01 178.73 2k4n h PHE 93 N 0.00 -0.20 0.00 4.33 3.57 -1.06 -2.55 116.94 121.03 2k4n h PHE 93 Ca -0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2k4n h PHE 93 Cb 0.92 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 2k4n h PHE 93 CO 0.00 0.08 -0.12 1.96 -2.23 0.00 0.00 178.31 178.00 2k4n h GLN 94 N -0.48 0.00 0.04 1.11 4.20 -0.86 0.36 115.11 119.48 2k4n h GLN 94 Ca -0.02 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.70 2k4n h GLN 94 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2k4n h GLN 94 CO 0.04 0.12 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.02 2k4n h LYS 95 N 0.00 -0.16 -0.05 1.46 3.11 -0.68 0.27 116.57 120.53 2k4n h LYS 95 Ca -0.00 0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.69 2k4n h LYS 95 Cb 0.25 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 2k4n h LYS 95 CO 0.02 -0.11 -0.67 0.82 -2.81 0.00 0.00 179.45 176.70 2k4n h ILE 96 N -0.16 1.42 -0.02 2.00 2.04 -1.02 -0.46 117.51 121.31 2k4n h ILE 96 Ca 0.02 -2.15 0.01 0.00 1.00 0.00 0.00 64.86 63.74 2k4n h ILE 96 Cb 0.18 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2k4n h ILE 96 CO -0.05 0.63 -0.02 0.25 0.00 0.00 0.00 178.15 178.96 2k4n h LEU 97 N 0.15 -0.06 -0.93 1.44 7.12 -0.62 -0.85 115.31 121.55 2k4n h LEU 97 Ca -0.01 0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.93 2k4n h LEU 97 Cb 1.20 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.35 2k4n h LEU 97 CO 0.10 -0.03 -0.10 0.11 -0.13 0.00 0.00 178.44 178.39 2k4n h LYS 98 N -0.03 0.67 -0.80 1.25 1.57 -0.40 -2.52 116.57 116.32 2k4n h LYS 98 Ca 0.02 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2k4n h LYS 98 Cb 0.05 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 2k4n h LYS 98 CO -0.04 0.76 0.49 -0.22 -0.57 0.00 0.00 179.45 179.87 2k4n h LYS 99 N 0.62 0.88 -0.17 3.15 3.64 -0.49 -2.43 116.57 121.76 2k4n h LYS 99 Ca 0.11 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 2k4n h LYS 99 Cb 0.53 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2k4n h LYS 99 CO 0.03 0.58 -0.70 -0.09 -2.27 0.00 0.00 179.45 177.00 2k4n h ARG 100 N 0.91 0.77 0.00 1.90 2.43 -1.05 -3.48 114.38 115.86 2k4n h ARG 100 Ca 0.34 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2k4n h ARG 100 Cb 0.14 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2k4n h ARG 100 CO -0.16 1.22 0.00 0.41 -1.51 0.00 0.00 179.97 179.93 2k4n n GLY 101 N 0.65 1.43 3.76 2.80 0.00 -0.92 -5.11 105.19 107.82 2k4n n GLY 101 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 4.27 -0.17 2.61 2.01 -0.99 -5.03 115.64 116.34 2k4n s THR 102 Ca 0.00 1.86 -0.02 0.00 0.31 0.00 0.00 61.69 63.84 2k4n s THR 102 Cb 0.00 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 2k4n s THR 102 CO 0.00 0.50 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.81 2k4n s LYS 103 N -1.08 3.41 0.07 4.92 1.02 -1.26 -4.47 119.74 122.34 2k4n s LYS 103 Ca 0.38 -0.64 -0.31 0.00 0.02 0.00 0.00 55.97 55.42 2k4n s LYS 103 Cb -0.24 -2.83 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2k4n s LYS 103 CO 0.28 0.03 1.27 -0.51 -0.92 0.00 0.00 175.35 175.50 2k4n s LEU 104 N 0.86 4.36 0.41 3.17 1.43 -1.26 -4.92 118.68 122.74 2k4n s LEU 104 Ca -0.02 2.10 0.08 0.00 -1.03 0.00 0.00 54.13 55.26 2k4n s LEU 104 Cb -0.15 -3.58 0.89 0.00 0.03 0.00 0.00 46.19 43.38 2k4n s LEU 104 CO 0.01 -0.55 2.04 -0.08 0.23 0.00 0.00 176.35 178.00 2k4n h GLU 105 N 6.92 0.52 0.00 1.70 4.22 -1.98 -0.73 114.58 125.22 2k4n h GLU 105 Ca -0.41 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.00 2k4n h GLU 105 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k4n h GLU 105 CO 0.84 0.34 0.00 1.58 -2.18 0.00 0.00 179.01 179.59 2k4n n HIS 106 N -4.47 0.00 0.44 0.92 -0.00 -1.26 -0.20 115.22 110.64 2k4n n HIS 106 Ca 0.05 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.34 2k4n n HIS 106 Cb 0.13 -0.26 0.06 0.00 -0.12 0.00 0.00 29.99 29.80 2k4n n HIS 106 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k4n n HIS 107 N -1.26 0.53 0.08 1.57 -0.00 -0.28 -3.77 115.22 112.09 2k4n n HIS 107 Ca 0.08 0.15 0.03 0.00 -0.00 0.00 0.00 57.72 57.98 2k4n n HIS 107 Cb 0.11 -0.65 0.05 0.00 -0.00 0.00 0.00 29.99 29.51 2k4n n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k4n n HIS 108 N -2.20 0.11 -3.56 1.57 -0.00 0.42 -4.90 115.22 106.66 2k4n n HIS 108 Ca 0.02 -0.23 -0.23 0.00 -0.00 0.00 0.00 57.72 57.28 2k4n n HIS 108 Cb 0.47 -0.02 -0.15 0.00 -0.00 0.00 0.00 29.99 30.29 2k4n n HIS 108 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k4n s HIS 109 N -0.71 -0.01 0.15 1.57 5.04 0.72 -5.06 115.29 117.00 2k4n s HIS 109 Ca 0.09 -0.10 -0.17 0.00 -1.54 0.00 0.00 55.06 53.33 2k4n s HIS 109 Cb 0.05 -0.56 0.04 0.00 0.04 0.00 0.00 32.58 32.16 2k4n s HIS 109 CO 0.07 -0.56 1.73 0.45 -2.34 0.00 0.00 174.74 174.09 2k4n h HIS 110 N 8.37 0.10 0.00 3.88 3.86 -1.87 -3.38 115.15 126.11 2k4n h HIS 110 Ca -0.16 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2k4n h HIS 110 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2k4n h HIS 110 CO 0.15 0.02 0.00 0.72 0.86 0.00 0.00 177.93 179.67