#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 0.79 0.40 3.17 0.01 -1.26 -4.61 114.94 113.44 2k4n s ASN 2 Ca 0.00 -1.54 0.17 0.00 -0.71 0.00 0.00 52.86 50.78 2k4n s ASN 2 Cb 0.00 0.45 0.84 0.00 0.41 0.00 0.00 41.25 42.95 2k4n s ASN 2 CO 0.00 -0.93 1.84 -1.28 -1.51 0.00 0.00 177.10 175.21 2k4n h SER 3 N 2.42 0.00 -0.76 -1.22 0.87 -1.95 -1.36 113.55 111.55 2k4n h SER 3 Ca -0.31 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.30 2k4n h SER 3 Cb 1.24 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.16 2k4n h SER 3 CO 0.46 0.33 0.50 -0.08 -0.53 0.00 0.00 176.83 177.51 2k4n h GLU 4 N 0.00 0.83 -0.33 2.24 4.81 -1.98 0.95 114.58 121.09 2k4n h GLU 4 Ca -0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2k4n h GLU 4 Cb 0.69 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2k4n h GLU 4 CO 0.04 0.55 -0.18 0.28 -0.73 0.00 0.00 179.01 178.97 2k4n h VAL 5 N 0.86 1.29 -0.45 0.32 2.07 -1.65 0.49 116.25 119.18 2k4n h VAL 5 Ca 0.32 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2k4n h VAL 5 Cb 0.17 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2k4n h VAL 5 CO -0.10 0.42 0.27 0.40 0.02 0.00 0.00 177.57 178.58 2k4n h ILE 6 N 0.49 1.14 0.05 4.57 2.04 -1.11 0.12 117.51 124.80 2k4n h ILE 6 Ca 0.07 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2k4n h ILE 6 Cb 0.72 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2k4n h ILE 6 CO 0.05 0.14 -0.16 0.11 0.00 0.00 0.00 178.15 178.29 2k4n h LYS 7 N 0.60 -0.28 -0.54 2.37 1.57 -0.69 -0.67 116.57 118.93 2k4n h LYS 7 Ca 0.16 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2k4n h LYS 7 Cb -0.01 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2k4n h LYS 7 CO -0.03 -0.19 0.31 1.49 -0.57 0.00 0.00 179.45 180.46 2k4n h GLU 8 N -0.30 0.58 -0.34 3.15 4.81 -0.56 0.48 114.58 122.41 2k4n h GLU 8 Ca 0.04 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2k4n h GLU 8 Cb 0.34 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k4n h GLU 8 CO -0.13 0.39 0.12 0.35 -0.73 0.00 0.00 179.01 179.01 2k4n h PHE 9 N 0.60 0.53 -0.14 0.92 3.57 -0.56 0.41 116.94 122.27 2k4n h PHE 9 Ca 0.22 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 2k4n h PHE 9 Cb 0.07 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2k4n h PHE 9 CO -0.08 0.51 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.91 2k4n h LEU 10 N 0.39 0.46 -0.80 0.59 3.38 -0.81 -1.57 115.31 116.95 2k4n h LEU 10 Ca 0.11 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2k4n h LEU 10 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2k4n h LEU 10 CO -0.01 0.91 -0.45 -0.33 0.09 0.00 0.00 178.44 178.65 2k4n h GLU 11 N 0.32 0.34 0.20 1.13 4.39 -0.79 0.85 114.58 121.02 2k4n h GLU 11 Ca 0.01 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2k4n h GLU 11 Cb 1.05 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2k4n h GLU 11 CO 0.09 0.72 -0.09 0.22 -1.16 0.00 0.00 179.01 178.79 2k4n h ASP 12 N 0.28 -0.22 1.57 1.42 1.82 -0.48 -3.04 116.42 117.76 2k4n h ASP 12 Ca 0.02 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2k4n h ASP 12 Cb 0.90 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.97 2k4n h ASP 12 CO 0.07 -0.01 0.00 0.16 -1.61 0.00 0.00 179.24 177.85 2k4n h ILE 13 N -0.43 0.00 -3.37 2.25 3.07 -1.30 -3.48 117.51 114.25 2k4n h ILE 13 Ca -0.03 -0.67 -0.04 0.00 1.55 0.00 0.00 64.86 65.68 2k4n h ILE 13 Cb 0.33 1.64 0.03 0.00 -0.27 0.00 0.00 36.82 38.56 2k4n h ILE 13 CO 0.04 0.00 -0.12 0.61 -1.05 0.00 0.00 178.15 177.63 2k4n n GLY 14 N 0.96 0.56 3.65 0.16 0.00 0.10 -5.08 105.19 105.54 2k4n n GLY 14 Ca 0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.20 2.32 -0.17 1.61 2.56 -0.07 -5.03 118.70 116.72 2k4n s GLU 15 Ca 0.07 -1.35 -0.29 0.00 0.00 0.00 0.00 54.97 53.40 2k4n s GLU 15 Cb -0.01 -2.21 -0.03 0.00 2.00 0.00 0.00 34.13 33.89 2k4n s GLU 15 CO 0.11 0.38 1.50 -0.51 -0.56 0.00 0.00 175.26 176.18 2k4n s ASP 16 N -3.52 6.64 -0.19 -1.70 1.01 -1.26 -4.77 116.67 112.87 2k4n s ASP 16 Ca 0.30 1.75 -0.01 0.00 0.71 0.00 0.00 52.55 55.31 2k4n s ASP 16 Cb -0.07 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2k4n s ASP 16 CO 0.20 -1.02 -0.13 -0.47 0.21 0.00 0.00 175.17 173.96 2k4n s TYR 17 N 4.35 2.85 -0.28 4.23 5.04 -1.26 -4.60 117.35 127.68 2k4n s TYR 17 Ca 0.66 -1.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.07 2k4n s TYR 17 Cb -0.25 -1.99 0.07 0.00 0.35 0.00 0.00 41.96 40.14 2k4n s TYR 17 CO 0.25 -0.64 -0.06 0.42 -1.34 0.00 0.00 175.55 174.18 2k4n s ILE 18 N 1.27 2.11 -0.11 3.14 1.01 -1.26 -5.08 121.20 122.28 2k4n s ILE 18 Ca 0.03 -1.77 0.01 0.00 0.00 0.00 0.00 60.65 58.92 2k4n s ILE 18 Cb -0.14 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.02 2k4n s ILE 18 CO -0.07 -0.20 -0.14 -0.70 0.00 0.00 0.00 174.94 173.83 2k4n s GLU 19 N 1.09 2.13 -0.60 2.79 2.12 -1.26 -0.78 118.70 124.19 2k4n s GLU 19 Ca -0.03 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 2k4n s GLU 19 Cb -0.20 -1.84 0.25 0.00 0.26 0.00 0.00 34.13 32.61 2k4n s GLU 19 CO -0.06 -0.08 2.28 1.28 -0.54 0.00 0.00 175.26 178.14 2k4n n LEU 20 N 4.26 7.04 -2.28 2.70 4.77 0.18 -4.85 117.00 128.82 2k4n n LEU 20 Ca -0.19 -4.23 -0.02 0.00 -0.03 0.00 0.00 56.01 51.55 2k4n n LEU 20 Cb 0.51 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 2k4n n LEU 20 CO 0.23 1.61 -0.40 1.21 -1.33 0.00 0.00 177.39 178.72 2k4n n GLU 21 N 0.01 -2.74 -0.15 3.23 2.13 -1.26 -4.19 120.64 117.68 2k4n n GLU 21 Ca 0.50 2.28 0.00 0.00 0.66 0.00 0.00 57.16 60.60 2k4n n GLU 21 Cb 0.48 -3.86 0.00 0.00 0.27 0.00 0.00 31.44 28.32 2k4n n GLU 21 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2k4n n ASN 22 N 0.80 0.00 -4.24 4.31 5.03 -1.26 -4.94 115.26 114.96 2k4n n ASN 22 Ca -0.14 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.95 2k4n n ASN 22 Cb 0.22 -0.57 -0.14 0.00 -1.02 0.00 0.00 39.78 38.27 2k4n n ASN 22 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2k4n s GLU 23 N -0.06 2.82 -0.14 3.52 2.56 -1.26 -0.89 118.70 125.26 2k4n s GLU 23 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 54.97 53.92 2k4n s GLU 23 Cb 0.00 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 32.93 2k4n s GLU 23 CO 0.00 -0.47 -0.00 0.42 -0.56 0.00 0.00 175.26 174.65 2k4n s ILE 24 N 1.37 4.23 -0.28 -3.70 1.01 0.11 0.48 121.20 124.41 2k4n s ILE 24 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2k4n s ILE 24 Cb -0.18 -2.84 0.08 0.00 0.01 0.00 0.00 42.46 39.54 2k4n s ILE 24 CO -0.01 0.53 0.00 -1.00 0.00 0.00 0.00 174.94 174.45 2k4n s HIS 25 N -0.08 2.64 0.68 3.97 3.76 0.04 0.33 115.29 126.63 2k4n s HIS 25 Ca 0.03 -2.09 0.04 0.00 -0.15 0.00 0.00 55.06 52.89 2k4n s HIS 25 Cb -0.13 -1.96 0.13 0.00 1.11 0.00 0.00 32.58 31.73 2k4n s HIS 25 CO 0.02 -0.84 0.94 1.28 -0.85 0.00 0.00 174.74 175.28 2k4n n LEU 26 N 4.59 0.00 -4.74 0.89 4.77 -0.90 -4.04 117.00 117.57 2k4n n LEU 26 Ca -0.06 -2.28 -0.39 0.00 -0.03 0.00 0.00 56.01 53.24 2k4n n LEU 26 Cb 0.43 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2k4n n LEU 26 CO 0.18 -0.89 0.35 -0.75 -1.33 0.00 0.00 177.39 174.95 2k4n s LYS 27 N -4.96 4.39 0.00 3.23 2.20 -1.26 -4.88 119.74 118.46 2k4n s LYS 27 Ca 0.65 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 2k4n s LYS 27 Cb -0.04 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2k4n s LYS 27 CO 0.42 0.23 0.98 -2.30 -0.36 0.00 0.00 175.35 174.33 2k4n n PRO 28 N 3.17 0.00 0.00 4.03 -0.02 -1.26 -0.43 135.00 140.49 2k4n n PRO 28 Ca -0.04 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.47 2k4n n PRO 28 Cb 0.51 -1.48 0.66 0.00 -0.02 0.00 0.00 33.50 33.17 2k4n n PRO 28 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k4n n GLU 29 N -2.79 0.54 -0.04 -0.52 1.02 -1.26 -2.46 120.64 115.12 2k4n n GLU 29 Ca 0.00 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.96 2k4n n GLU 29 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.79 2k4n n GLU 29 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k4n n VAL 30 N -1.16 1.67 -0.06 2.62 0.31 -0.61 -4.13 118.33 116.97 2k4n n VAL 30 Ca 0.15 -0.37 0.05 0.00 -0.01 0.00 0.00 64.34 64.16 2k4n n VAL 30 Cb 0.14 -1.88 0.41 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.42 0.58 -0.94 3.52 3.57 -0.42 -1.66 116.94 121.17 2k4n h PHE 31 Ca -0.39 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.25 2k4n h PHE 31 Cb 1.70 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 40.16 2k4n h PHE 31 CO 0.09 0.34 0.56 -0.92 -2.23 0.00 0.00 178.31 176.15 2k4n h TYR 32 N 0.61 1.02 0.00 0.41 3.20 -1.65 0.38 116.97 120.92 2k4n h TYR 32 Ca 0.21 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.90 2k4n h TYR 32 Cb 0.09 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 2k4n h TYR 32 CO -0.00 0.37 -1.15 0.93 -1.64 0.00 0.00 178.16 176.68 2k4n h GLU 33 N 0.87 0.00 -0.41 1.82 5.08 -1.49 -2.98 114.58 117.47 2k4n h GLU 33 Ca 0.47 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.74 2k4n h GLU 33 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2k4n h GLU 33 CO -0.28 0.75 -0.12 0.28 -1.00 0.00 0.00 179.01 178.64 2k4n h VAL 34 N 0.00 1.26 0.07 3.13 2.07 -0.63 0.11 116.25 122.25 2k4n h VAL 34 Ca -0.09 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.29 2k4n h VAL 34 Cb 1.77 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2k4n h VAL 34 CO 0.10 0.39 -0.18 -0.25 0.02 0.00 0.00 177.57 177.65 2k4n h TRP 35 N 0.66 -0.48 -0.02 1.57 7.01 -0.25 -1.66 115.95 122.78 2k4n h TRP 35 Ca 0.11 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.05 2k4n h TRP 35 Cb 0.58 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 2k4n h TRP 35 CO 0.03 -0.27 -0.33 0.87 -2.79 0.00 0.00 178.44 175.95 2k4n h LYS 36 N -0.34 0.04 -0.94 2.65 1.57 -1.37 0.17 116.57 118.36 2k4n h LYS 36 Ca 0.03 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2k4n h LYS 36 Cb 0.37 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 2k4n h LYS 36 CO -0.12 0.37 0.62 -0.92 -0.57 0.00 0.00 179.45 178.83 2k4n h TYR 37 N 0.04 1.17 -0.24 -1.35 5.03 -0.14 -2.06 116.97 119.42 2k4n h TYR 37 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2k4n h TYR 37 Cb 0.61 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.49 2k4n h TYR 37 CO 0.00 0.72 0.00 1.33 -1.32 0.00 0.00 178.16 178.89 2k4n n VAL 38 N -4.45 0.32 0.00 1.81 0.24 -0.68 -4.83 118.33 110.74 2k4n n VAL 38 Ca 0.11 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2k4n n VAL 38 Cb 0.04 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 1.03 0.75 3.64 7.63 0.00 -0.77 -4.75 105.19 112.72 2k4n n GLY 39 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2k4n n GLY 39 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k4n n GLU 40 N -1.07 -1.45 -2.55 1.61 0.28 0.58 -4.95 120.64 113.09 2k4n n GLU 40 Ca 0.00 0.89 -0.21 0.00 -0.16 0.00 0.00 57.16 57.67 2k4n n GLU 40 Cb 0.00 -3.07 0.10 0.00 1.43 0.00 0.00 31.44 29.90 2k4n n GLU 40 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2k4n n PRO 41 N -2.56 0.07 -2.19 3.44 -0.04 -1.26 -4.99 135.00 127.47 2k4n n PRO 41 Ca -0.24 -2.66 -0.43 0.00 -0.04 0.00 0.00 63.50 60.13 2k4n n PRO 41 Cb 0.65 -0.55 -0.02 0.00 -0.04 0.00 0.00 33.50 33.54 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 -4.87 3.81 0.74 0.54 0.41 -1.26 -5.00 118.70 113.07 2k4n s GLU 42 Ca 0.62 1.54 -0.11 0.00 -0.41 0.00 0.00 54.97 56.60 2k4n s GLU 42 Cb -0.04 -4.00 0.03 0.00 -1.78 0.00 0.00 34.13 28.35 2k4n s GLU 42 CO 0.41 -1.27 1.09 -0.51 -0.49 0.00 0.00 175.26 174.49 2k4n s LEU 43 N 5.03 2.80 -0.22 1.80 1.43 -1.26 -5.05 118.68 123.20 2k4n s LEU 43 Ca 0.68 1.23 -0.07 0.00 -1.03 0.00 0.00 54.13 54.94 2k4n s LEU 43 Cb -0.23 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 2k4n s LEU 43 CO 0.28 -1.58 0.04 -0.75 0.23 0.00 0.00 176.35 174.58 2k4n s LYS 44 N -5.26 3.68 0.05 1.70 2.20 0.58 -4.93 119.74 117.76 2k4n s LYS 44 Ca 0.59 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 2k4n s LYS 44 Cb -0.12 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2k4n s LYS 44 CO 0.53 -0.06 0.14 0.95 -0.36 0.00 0.00 175.35 176.54 2k4n s THR 45 N 1.25 4.98 0.03 3.43 -4.23 -1.26 0.08 115.64 119.92 2k4n s THR 45 Ca 0.04 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 2k4n s THR 45 Cb -0.15 -3.38 -0.02 0.00 1.34 0.00 0.00 72.50 70.29 2k4n s THR 45 CO 0.03 0.20 -0.13 -0.72 -0.54 0.00 0.00 174.62 173.45 2k4n s TYR 46 N -1.39 1.16 -0.33 3.99 1.13 0.57 -4.98 117.35 117.51 2k4n s TYR 46 Ca 0.30 -0.34 -0.10 0.00 -1.41 0.00 0.00 57.07 55.52 2k4n s TYR 46 Cb -0.12 -0.69 0.01 0.00 -1.10 0.00 0.00 41.96 40.05 2k4n s TYR 46 CO 0.22 0.02 0.16 0.08 -2.51 0.00 0.00 175.55 173.53 2k4n s VAL 47 N -0.81 4.52 -0.30 -3.49 1.01 -1.26 -0.95 120.40 119.11 2k4n s VAL 47 Ca 0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2k4n s VAL 47 Cb -0.07 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.95 2k4n s VAL 47 CO 0.01 -0.04 0.05 -0.51 0.00 0.00 0.00 175.10 174.61 2k4n s ILE 48 N 1.58 3.54 -0.53 2.22 2.07 0.33 -4.94 121.20 125.48 2k4n s ILE 48 Ca 0.03 -0.99 -0.28 0.00 -1.41 0.00 0.00 60.65 58.00 2k4n s ILE 48 Cb -0.18 -2.91 0.02 0.00 0.13 0.00 0.00 42.46 39.53 2k4n s ILE 48 CO 0.06 0.00 1.32 -1.61 -1.91 0.00 0.00 174.94 172.80 2k4n s GLU 49 N 1.40 3.47 -0.18 3.50 2.02 -1.26 -1.01 118.70 126.63 2k4n s GLU 49 Ca -0.00 0.51 -0.17 0.00 0.02 0.00 0.00 54.97 55.33 2k4n s GLU 49 Cb -0.18 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 29.96 2k4n s GLU 49 CO 0.01 -1.73 0.44 0.34 0.02 0.00 0.00 175.26 174.35 2k4n s ASP 50 N 3.69 6.53 -0.52 -0.19 -1.08 0.11 -4.87 116.67 120.34 2k4n s ASP 50 Ca 0.51 0.62 -0.19 0.00 -0.52 0.00 0.00 52.55 52.97 2k4n s ASP 50 Cb -0.10 -2.26 0.06 0.00 -1.46 0.00 0.00 42.92 39.17 2k4n s ASP 50 CO 0.28 -0.08 0.65 -0.70 0.52 0.00 0.00 175.17 175.83 2k4n s GLU 51 N 1.22 3.12 -0.44 4.34 2.12 -1.26 0.02 118.70 127.82 2k4n s GLU 51 Ca 0.22 -0.92 -0.24 0.00 0.36 0.00 0.00 54.97 54.39 2k4n s GLU 51 Cb -0.15 -4.12 0.02 0.00 0.26 0.00 0.00 34.13 30.15 2k4n s GLU 51 CO 0.09 -1.27 0.83 0.42 -0.54 0.00 0.00 175.26 174.79 2k4n s ILE 52 N 2.68 4.60 0.03 -3.70 1.01 0.20 -4.96 121.20 121.06 2k4n s ILE 52 Ca 0.15 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.44 2k4n s ILE 52 Cb -0.20 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 37.92 2k4n s ILE 52 CO 0.11 -0.71 -0.11 0.68 0.00 0.00 0.00 174.94 174.91 2k4n s VAL 53 N 3.41 0.87 -0.30 2.92 -7.23 -1.26 -1.55 120.40 117.25 2k4n s VAL 53 Ca 0.32 -0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 2k4n s VAL 53 Cb -0.12 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 2k4n s VAL 53 CO 0.23 -0.02 0.31 -1.61 -0.31 0.00 0.00 175.10 173.70 2k4n s GLU 54 N -0.95 3.79 0.74 4.82 2.02 -1.26 -5.08 118.70 122.78 2k4n s GLU 54 Ca -0.00 -0.28 -0.12 0.00 0.02 0.00 0.00 54.97 54.59 2k4n s GLU 54 Cb -0.07 -3.72 0.18 0.00 0.10 0.00 0.00 34.13 30.62 2k4n s GLU 54 CO 0.01 -0.35 0.67 -0.35 0.02 0.00 0.00 175.26 175.26 2k4n n PRO 55 N 5.26 -2.24 -2.63 0.39 -0.04 -1.26 -4.94 135.00 129.54 2k4n n PRO 55 Ca -0.11 -1.07 -0.09 0.00 -0.04 0.00 0.00 63.50 62.20 2k4n n PRO 55 Cb 0.50 -0.99 0.03 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.85 2.75 0.31 0.55 0.00 -1.26 -4.92 105.19 100.77 2k4n n GLY 56 Ca 0.09 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.72 2k4n n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k4n h GLU 57 N 2.66 0.25 -3.77 1.61 4.39 -2.05 -3.26 114.58 114.41 2k4n h GLU 57 Ca -0.01 -0.02 -0.63 0.00 0.34 0.00 0.00 59.36 59.04 2k4n h GLU 57 Cb 1.25 -0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 29.44 2k4n h GLU 57 CO 0.42 0.17 -0.69 0.71 -1.16 0.00 0.00 179.01 178.46 2k4n s TYR 58 N -5.92 2.98 -0.34 4.33 2.02 -1.26 -5.08 117.35 114.08 2k4n s TYR 58 Ca -0.12 -2.81 -0.16 0.00 -0.37 0.00 0.00 57.07 53.61 2k4n s TYR 58 Cb 0.26 -2.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.25 2k4n s TYR 58 CO 0.77 -0.84 0.43 -0.51 -1.57 0.00 0.00 175.55 173.83 2k4n s ASP 59 N 0.46 6.24 0.83 2.29 1.01 -1.23 -5.08 116.67 121.19 2k4n s ASP 59 Ca 0.14 -0.14 -0.12 0.00 0.71 0.00 0.00 52.55 53.15 2k4n s ASP 59 Cb -0.22 -2.23 0.09 0.00 1.01 0.00 0.00 42.92 41.57 2k4n s ASP 59 CO -0.06 -0.39 1.10 -2.84 0.21 0.00 0.00 175.17 173.19 2k4n s PRO 60 N 2.17 1.81 0.00 8.23 0.02 -1.26 -4.90 135.00 141.07 2k4n s PRO 60 Ca 0.15 0.68 -0.01 0.00 0.02 0.00 0.00 61.00 61.83 2k4n s PRO 60 Cb -0.16 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 2k4n s PRO 60 CO 0.12 -1.82 1.69 -0.35 -0.33 0.00 0.00 177.00 176.30 2k4n n PRO 61 N -3.58 0.85 -3.68 5.54 -0.04 -1.26 -4.76 135.00 128.07 2k4n n PRO 61 Ca 0.07 -0.23 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 2k4n n PRO 61 Cb 0.56 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 2k4n n PRO 61 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k4n n GLU 62 N 2.06 1.04 -3.72 0.54 1.02 -1.26 -5.09 120.64 115.22 2k4n n GLU 62 Ca 0.10 -2.36 -0.34 0.00 -0.02 0.00 0.00 57.16 54.54 2k4n n GLU 62 Cb 0.41 0.83 -0.09 0.00 -0.02 0.00 0.00 31.44 32.57 2k4n n GLU 62 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2k4n s MET 63 N -3.13 2.88 -0.10 3.49 -1.94 -1.26 -5.06 119.30 114.17 2k4n s MET 63 Ca 0.04 -3.07 -0.16 0.00 -1.71 0.00 0.00 55.69 50.79 2k4n s MET 63 Cb 0.00 -3.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.03 2k4n s MET 63 CO 0.03 -1.24 0.40 0.15 -0.01 0.00 0.00 175.02 174.35 2k4n s LYS 64 N -0.99 4.20 0.04 2.03 1.02 -1.26 -5.08 119.74 119.70 2k4n s LYS 64 Ca 0.24 0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.58 2k4n s LYS 64 Cb -0.11 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2k4n s LYS 64 CO -0.10 0.33 0.01 0.71 -0.92 0.00 0.00 175.35 175.37 2k4n s TYR 65 N 0.12 3.06 -0.03 3.18 2.02 -1.26 -5.11 117.35 119.33 2k4n s TYR 65 Ca 0.22 0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.68 2k4n s TYR 65 Cb -0.15 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 39.88 2k4n s TYR 65 CO 0.09 0.47 0.78 -0.08 -1.57 0.00 0.00 175.55 175.25 2k4n s THR 66 N -1.20 0.00 0.13 -0.71 -1.32 -1.26 -5.19 115.64 106.09 2k4n s THR 66 Ca 0.23 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.73 2k4n s THR 66 Cb -0.12 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 2k4n s THR 66 CO 0.14 0.00 -0.05 0.54 -2.21 0.00 0.00 174.62 173.04 2k4n s ASN 67 N -1.64 1.27 0.04 8.08 4.22 -1.26 -5.08 114.94 120.56 2k4n s ASN 67 Ca -0.04 -1.05 -0.27 0.00 -2.14 0.00 0.00 52.86 49.36 2k4n s ASN 67 Cb -0.00 0.08 -0.05 0.00 1.28 0.00 0.00 41.25 42.56 2k4n s ASN 67 CO 0.01 -0.47 0.83 0.54 -2.04 0.00 0.00 177.10 175.97 2k4n s VAL 68 N -3.58 4.75 -0.24 3.54 0.11 -1.26 -4.63 120.40 119.09 2k4n s VAL 68 Ca 0.16 1.77 -0.00 0.00 -2.93 0.00 0.00 61.98 60.97 2k4n s VAL 68 Cb 0.05 -4.18 0.07 0.00 -1.53 0.00 0.00 36.38 30.79 2k4n s VAL 68 CO -0.02 0.31 0.00 -0.54 -3.33 0.00 0.00 175.10 171.52 2k4n s LYS 69 N 0.25 1.19 -0.08 1.54 1.02 -0.60 -5.02 119.74 118.04 2k4n s LYS 69 Ca 0.42 -0.89 -0.17 0.00 0.02 0.00 0.00 55.97 55.35 2k4n s LYS 69 Cb -0.21 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 2k4n s LYS 69 CO 0.25 -0.69 0.46 0.15 -0.92 0.00 0.00 175.35 174.59 2k4n s LYS 70 N 1.54 4.24 -0.13 1.68 1.02 -1.26 -0.63 119.74 126.19 2k4n s LYS 70 Ca -0.01 0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.43 2k4n s LYS 70 Cb -0.18 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 2k4n s LYS 70 CO -0.10 0.31 -0.15 0.14 -0.92 0.00 0.00 175.35 174.63 2k4n s VAL 71 N 0.12 2.76 -0.67 3.17 -7.23 0.10 -4.93 120.40 113.72 2k4n s VAL 71 Ca 0.25 -0.76 -0.23 0.00 -1.81 0.00 0.00 61.98 59.43 2k4n s VAL 71 Cb -0.16 -2.15 0.06 0.00 0.56 0.00 0.00 36.38 34.70 2k4n s VAL 71 CO 0.11 0.53 1.02 -0.54 -0.31 0.00 0.00 175.10 175.90 2k4n s LYS 72 N 0.53 3.12 -0.35 4.82 1.02 -1.26 0.05 119.74 127.67 2k4n s LYS 72 Ca -0.10 -0.73 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 2k4n s LYS 72 Cb -0.16 -4.22 -0.00 0.00 -0.52 0.00 0.00 37.83 32.93 2k4n s LYS 72 CO 0.04 -1.87 0.55 0.42 -0.92 0.00 0.00 175.35 173.57 2k4n s ILE 73 N 4.34 4.98 -0.35 2.17 1.01 -0.18 -4.90 121.20 128.27 2k4n s ILE 73 Ca 0.24 0.44 -0.14 0.00 0.00 0.00 0.00 60.65 61.20 2k4n s ILE 73 Cb -0.15 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 2k4n s ILE 73 CO 0.11 -0.23 0.29 -0.75 0.00 0.00 0.00 174.94 174.36 2k4n s LYS 74 N 2.49 3.46 0.37 2.79 2.20 -1.26 -0.51 119.74 129.28 2k4n s LYS 74 Ca 0.21 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.29 2k4n s LYS 74 Cb -0.15 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 2k4n s LYS 74 CO 0.14 -0.51 0.18 0.15 -0.36 0.00 0.00 175.35 174.94 2k4n s LYS 75 N 1.84 2.34 0.02 4.03 1.02 -0.13 -3.58 119.74 125.29 2k4n s LYS 75 Ca 0.08 -1.64 0.06 0.00 0.02 0.00 0.00 55.97 54.50 2k4n s LYS 75 Cb -0.17 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 2k4n s LYS 75 CO 0.11 0.01 -0.19 0.54 -0.92 0.00 0.00 175.35 174.90 2k4n s VAL 76 N -2.48 1.52 0.31 3.17 0.11 0.08 -0.32 120.40 122.79 2k4n s VAL 76 Ca 0.40 -1.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.27 2k4n s VAL 76 Cb -0.01 -1.31 0.02 0.00 -1.53 0.00 0.00 36.38 33.55 2k4n s VAL 76 CO 0.23 0.24 0.61 -0.72 -3.33 0.00 0.00 175.10 172.13 2k4n s TYR 77 N -0.69 0.31 0.01 1.54 1.13 0.11 -0.02 117.35 119.74 2k4n s TYR 77 Ca 0.06 -0.75 -0.08 0.00 -1.41 0.00 0.00 57.07 54.90 2k4n s TYR 77 Cb -0.08 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 2k4n s TYR 77 CO 0.01 -1.22 0.15 -0.59 -2.51 0.00 0.00 175.55 171.39 2k4n s PHE 78 N -3.38 0.06 -0.20 -3.49 -0.71 -0.86 -0.31 117.98 109.09 2k4n s PHE 78 Ca 0.20 -0.19 -0.09 0.00 -1.04 0.00 0.00 56.93 55.80 2k4n s PHE 78 Cb -0.03 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2k4n s PHE 78 CO 0.11 -0.33 0.10 -1.21 -1.34 0.00 0.00 175.22 172.55 2k4n s GLU 79 N -1.75 4.05 0.80 1.99 2.02 -1.26 -1.13 118.70 123.42 2k4n s GLU 79 Ca -0.12 -0.30 -0.09 0.00 0.02 0.00 0.00 54.97 54.48 2k4n s GLU 79 Cb -0.06 -3.33 0.12 0.00 0.10 0.00 0.00 34.13 30.96 2k4n s GLU 79 CO -0.00 0.24 1.13 0.95 0.02 0.00 0.00 175.26 177.59 2k4n s THR 80 N 0.50 2.13 -0.06 3.63 -4.23 -0.39 -4.95 115.64 112.26 2k4n s THR 80 Ca 0.05 -0.20 0.30 0.00 -1.18 0.00 0.00 61.69 60.66 2k4n s THR 80 Cb -0.12 -2.93 0.34 0.00 1.34 0.00 0.00 72.50 71.13 2k4n s THR 80 CO 0.00 0.00 1.91 -0.07 -0.54 0.00 0.00 174.62 175.92 2k4n h LEU 81 N -0.96 0.00 -2.58 4.79 4.07 -1.90 -1.82 115.31 116.92 2k4n h LEU 81 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.53 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 0.51 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 176.97 2k4n n ASP 82 N -2.73 3.92 -0.91 -0.43 5.68 -1.26 -4.91 116.55 115.92 2k4n n ASP 82 Ca 0.01 -2.36 -0.10 0.00 -0.50 0.00 0.00 54.79 51.83 2k4n n ASP 82 Cb 0.23 -0.52 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2k4n n ASN 83 N 0.86 -3.90 -4.88 -1.12 3.02 -0.68 -5.01 115.26 103.54 2k4n n ASN 83 Ca 0.21 0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.55 2k4n n ASN 83 Cb 0.74 -2.61 -0.06 0.00 -0.61 0.00 0.00 39.78 37.25 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k4n s VAL 84 N -2.42 5.46 -0.32 2.41 1.01 -1.26 -4.90 120.40 120.39 2k4n s VAL 84 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2k4n s VAL 84 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2k4n s VAL 84 CO 0.00 0.53 0.31 -0.13 0.00 0.00 0.00 175.10 175.80 2k4n s ARG 85 N -1.31 3.71 -0.65 2.72 0.52 -0.07 -1.27 118.95 122.60 2k4n s ARG 85 Ca 0.19 -0.36 -0.17 0.00 -0.52 0.00 0.00 55.73 54.87 2k4n s ARG 85 Cb -0.12 -3.75 0.14 0.00 0.52 0.00 0.00 34.95 31.74 2k4n s ARG 85 CO 0.09 -0.40 0.70 0.08 0.02 0.00 0.00 175.30 175.78 2k4n s VAL 86 N 1.92 5.09 -0.02 3.52 1.01 -0.28 0.06 120.40 131.69 2k4n s VAL 86 Ca 0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 2k4n s VAL 86 Cb -0.16 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2k4n s VAL 86 CO 0.11 -1.07 0.09 -0.69 0.00 0.00 0.00 175.10 173.54 2k4n s VAL 87 N 1.85 4.84 0.11 2.92 1.01 0.15 -2.02 120.40 129.27 2k4n s VAL 87 Ca 0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 2k4n s VAL 87 Cb -0.21 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.00 2k4n s VAL 87 CO 0.01 0.40 0.35 -0.89 0.00 0.00 0.00 175.10 174.97 2k4n s THR 88 N -1.16 0.09 0.11 3.92 2.01 0.97 -2.12 115.64 119.46 2k4n s THR 88 Ca 0.22 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 2k4n s THR 88 Cb -0.12 -1.19 -0.07 0.00 0.01 0.00 0.00 72.50 71.13 2k4n s THR 88 CO 0.12 -0.39 1.22 -0.62 -0.69 0.00 0.00 174.62 174.26 2k4n s ASP 89 N -2.76 7.05 0.24 3.53 -1.08 -1.26 -0.74 116.67 121.65 2k4n s ASP 89 Ca 0.03 2.13 0.09 0.00 -0.52 0.00 0.00 52.55 54.28 2k4n s ASP 89 Cb 0.02 -2.59 0.23 0.00 -1.46 0.00 0.00 42.92 39.12 2k4n s ASP 89 CO -0.11 -0.45 1.54 0.22 0.52 0.00 0.00 175.17 176.88 2k4n h TYR 90 N 6.23 0.04 -0.22 -5.34 3.20 -1.84 -0.25 116.97 118.78 2k4n h TYR 90 Ca -0.43 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.35 2k4n h TYR 90 Cb 1.21 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 2k4n h TYR 90 CO 0.65 0.72 -0.17 0.77 -1.64 0.00 0.00 178.16 178.49 2k4n h SER 91 N 0.02 0.53 0.12 -2.11 0.02 -1.92 -0.03 113.55 110.18 2k4n h SER 91 Ca -0.01 -0.45 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 2k4n h SER 91 Cb 1.24 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2k4n h SER 91 CO 0.09 0.87 -0.49 -0.08 -1.14 0.00 0.00 176.83 176.08 2k4n h GLU 92 N 0.20 0.43 0.14 3.45 4.57 -1.94 -0.34 114.58 121.08 2k4n h GLU 92 Ca 0.04 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2k4n h GLU 92 Cb 0.70 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2k4n h GLU 92 CO 0.05 0.83 -0.06 0.35 -1.18 0.00 0.00 179.01 178.99 2k4n h PHE 93 N 0.34 -0.17 0.00 0.92 3.57 -0.91 -2.42 116.94 118.27 2k4n h PHE 93 Ca 0.02 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2k4n h PHE 93 Cb 0.99 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2k4n h PHE 93 CO 0.03 -0.01 -0.21 1.96 -2.23 0.00 0.00 178.31 177.86 2k4n h GLN 94 N -0.30 0.00 -0.45 1.11 1.08 -0.91 -1.77 115.11 113.87 2k4n h GLN 94 Ca -0.02 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2k4n h GLN 94 Cb 0.24 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 2k4n h GLN 94 CO 0.03 0.21 0.16 -0.22 -0.95 0.00 0.00 178.83 178.06 2k4n h LYS 95 N 0.00 0.32 -0.43 1.46 1.63 -0.75 -1.19 116.57 117.61 2k4n h LYS 95 Ca -0.00 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.64 2k4n h LYS 95 Cb 0.38 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2k4n h LYS 95 CO 0.03 0.21 -0.29 0.82 -3.45 0.00 0.00 179.45 176.76 2k4n h ILE 96 N 0.32 1.27 -0.52 2.00 2.04 -0.86 0.74 117.51 122.51 2k4n h ILE 96 Ca 0.21 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.64 2k4n h ILE 96 Cb 0.22 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2k4n h ILE 96 CO -0.22 0.49 0.30 -0.07 0.00 0.00 0.00 178.15 178.66 2k4n h LEU 97 N 0.79 0.49 -0.56 1.44 -0.00 -1.05 -1.84 115.31 114.58 2k4n h LEU 97 Ca 0.09 0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.82 2k4n h LEU 97 Cb 0.87 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 2k4n h LEU 97 CO 0.08 0.34 -0.72 0.50 -0.00 0.00 0.00 178.44 178.64 2k4n h LYS 98 N 0.60 0.03 -0.49 1.13 3.64 -1.13 -0.76 116.57 119.59 2k4n h LYS 98 Ca 0.21 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2k4n h LYS 98 Cb 0.03 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2k4n h LYS 98 CO -0.10 0.73 0.30 -0.22 -2.27 0.00 0.00 179.45 177.90 2k4n h LYS 99 N 0.02 0.60 -0.00 1.90 3.64 -0.04 -2.98 116.57 119.70 2k4n h LYS 99 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2k4n h LYS 99 Cb 1.27 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2k4n h LYS 99 CO 0.10 0.40 -0.64 -2.13 -2.27 0.00 0.00 179.45 174.91 2k4n n ARG 100 N -4.78 1.54 -2.69 1.90 0.63 -0.90 -5.00 116.66 107.35 2k4n n ARG 100 Ca 0.03 -0.30 -0.08 0.00 -0.92 0.00 0.00 57.85 56.58 2k4n n ARG 100 Cb 0.05 -1.30 0.03 0.00 0.45 0.00 0.00 32.46 31.70 2k4n n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k4n n GLY 101 N 1.33 0.20 0.20 5.14 0.00 -0.42 -4.94 105.19 106.71 2k4n n GLY 101 Ca 0.05 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.87 0.72 -2.68 2.61 2.02 -1.52 -3.24 112.91 109.94 2k4n h THR 102 Ca -0.23 -1.39 -0.74 0.00 0.77 0.00 0.00 66.41 64.81 2k4n h THR 102 Cb 1.14 1.90 -0.32 0.00 -1.74 0.00 0.00 68.15 69.13 2k4n h THR 102 CO 0.21 0.31 0.36 0.29 0.37 0.00 0.00 175.52 177.05 2k4n n LYS 103 N -3.43 3.90 -3.65 6.66 5.02 -1.26 -4.94 118.16 120.46 2k4n n LYS 103 Ca 0.00 -4.60 -0.04 0.00 -2.02 0.00 0.00 58.31 51.66 2k4n n LYS 103 Cb 0.49 -2.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.02 2k4n n LYS 103 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k4n s LEU 104 N -2.73 -1.04 -0.28 -0.35 0.20 -1.23 -5.07 118.68 108.19 2k4n s LEU 104 Ca 0.34 1.52 -0.03 0.00 0.69 0.00 0.00 54.13 56.65 2k4n s LEU 104 Cb 0.08 2.27 0.03 0.00 -0.43 0.00 0.00 46.19 48.14 2k4n s LEU 104 CO 0.07 -0.23 -0.02 -1.61 -0.29 0.00 0.00 176.35 174.28 2k4n s GLU 105 N 2.44 2.72 0.51 1.98 2.02 -1.26 -4.99 118.70 122.12 2k4n s GLU 105 Ca -0.07 -1.07 0.19 0.00 0.02 0.00 0.00 54.97 54.03 2k4n s GLU 105 Cb -0.10 -3.12 1.28 0.00 0.10 0.00 0.00 34.13 32.29 2k4n s GLU 105 CO -0.19 -0.49 2.08 1.25 0.02 0.00 0.00 175.26 177.93 2k4n h HIS 106 N 8.04 0.05 -3.30 1.61 -0.00 -2.00 -3.38 115.15 116.17 2k4n h HIS 106 Ca -0.28 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.42 2k4n h HIS 106 Cb 1.09 -0.02 -0.32 0.00 -0.00 0.00 0.00 27.41 28.17 2k4n h HIS 106 CO 0.60 0.03 -0.84 -1.58 -0.00 0.00 0.00 177.93 176.13 2k4n s HIS 107 N -5.09 2.66 -0.13 5.26 5.65 -1.26 -5.11 115.29 117.27 2k4n s HIS 107 Ca -0.05 -1.03 -0.01 0.00 0.25 0.00 0.00 55.06 54.21 2k4n s HIS 107 Cb 0.18 -1.78 -0.02 0.00 -1.18 0.00 0.00 32.58 29.77 2k4n s HIS 107 CO 0.70 -0.43 -0.08 -1.01 -0.65 0.00 0.00 174.74 173.27 2k4n s HIS 108 N 0.51 2.92 0.08 3.88 0.09 -1.26 -5.10 115.29 116.41 2k4n s HIS 108 Ca -0.13 -0.38 -0.26 0.00 -0.00 0.00 0.00 55.06 54.29 2k4n s HIS 108 Cb -0.17 -1.86 -0.06 0.00 -0.00 0.00 0.00 32.58 30.49 2k4n s HIS 108 CO 0.05 -0.04 0.81 -1.01 -0.00 0.00 0.00 174.74 174.55 2k4n s HIS 109 N 0.14 3.79 0.00 1.40 3.76 -1.26 -4.51 115.29 118.60 2k4n s HIS 109 Ca -0.04 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 2k4n s HIS 109 Cb -0.14 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.69 2k4n s HIS 109 CO 0.04 0.31 0.00 1.58 -0.85 0.00 0.00 174.74 175.81 2k4n n HIS 110 N 2.57 0.00 0.00 1.40 -0.00 -1.26 -5.31 115.22 112.61 2k4n n HIS 110 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2k4n n HIS 110 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 2k4n n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92