#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ubp n TYR 6 N 0.00 2.70 -3.63 -2.53 4.19 -1.26 -4.96 117.16 111.68 1ubp n TYR 6 Ca 0.00 0.10 -0.37 0.00 3.31 0.00 0.00 57.90 60.94 1ubp n TYR 6 Cb 0.00 -2.65 -0.11 0.00 0.49 0.00 0.00 39.34 37.08 1ubp n TYR 6 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1ubp s ILE 7 N 0.95 5.20 -0.42 2.97 1.01 -1.26 -5.05 121.20 124.61 1ubp s ILE 7 Ca 0.74 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 61.40 1ubp s ILE 7 Cb -0.53 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.54 1ubp s ILE 7 CO 0.35 0.28 0.28 -0.69 0.00 0.00 0.00 174.94 175.17 1ubp s VAL 8 N 1.57 4.67 0.09 2.92 1.01 -1.26 -5.06 120.40 124.35 1ubp s VAL 8 Ca 0.07 -1.10 -0.36 0.00 0.00 0.00 0.00 61.98 60.58 1ubp s VAL 8 Cb -0.15 -3.75 -0.16 0.00 0.00 0.00 0.00 36.38 32.31 1ubp s VAL 8 CO 0.09 -0.44 1.37 -2.65 0.00 0.00 0.00 175.10 173.47 1ubp n PRO 9 N 5.04 1.25 -1.06 2.72 -0.02 -1.26 -1.88 135.00 139.79 1ubp n PRO 9 Ca -0.11 0.45 -0.02 0.00 -2.02 0.00 0.00 63.50 61.80 1ubp n PRO 9 Cb 0.44 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 1ubp n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ubp n GLY 10 N 2.63 0.43 3.74 -1.23 0.00 -1.26 -4.98 105.19 104.51 1ubp n GLY 10 Ca 0.18 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1ubp n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ubp s GLU 11 N -1.37 2.44 0.42 1.61 -1.05 -0.79 -5.02 118.70 114.93 1ubp s GLU 11 Ca 0.00 1.60 -0.09 0.00 -0.15 0.00 0.00 54.97 56.33 1ubp s GLU 11 Cb 0.00 -1.89 -0.06 0.00 -0.44 0.00 0.00 34.13 31.75 1ubp s GLU 11 CO 0.00 -1.57 0.76 0.71 0.95 0.00 0.00 175.26 176.11 1ubp s TYR 12 N -2.13 3.49 -0.46 4.83 2.02 -1.26 -5.05 117.35 118.79 1ubp s TYR 12 Ca 0.71 0.97 0.03 0.00 -0.37 0.00 0.00 57.07 58.40 1ubp s TYR 12 Cb -0.25 -2.39 0.15 0.00 -0.40 0.00 0.00 41.96 39.07 1ubp s TYR 12 CO 0.43 -0.13 0.31 0.50 -1.57 0.00 0.00 175.55 175.09 1ubp s ARG 13 N -4.04 1.24 0.59 -0.62 3.52 -1.26 -5.12 118.95 113.26 1ubp s ARG 13 Ca 0.50 -2.15 -0.17 0.00 -0.13 0.00 0.00 55.73 53.78 1ubp s ARG 13 Cb -0.10 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 1ubp s ARG 13 CO 0.34 -1.26 1.09 0.14 -0.81 0.00 0.00 175.30 174.80 1ubp s VAL 14 N 0.08 3.48 1.10 7.11 -7.23 -1.26 -5.03 120.40 118.65 1ubp s VAL 14 Ca 0.24 0.77 -0.15 0.00 -1.81 0.00 0.00 61.98 61.03 1ubp s VAL 14 Cb -0.12 -3.28 0.24 0.00 0.56 0.00 0.00 36.38 33.78 1ubp s VAL 14 CO -0.09 -0.35 1.08 0.00 -0.31 0.00 0.00 175.10 175.44 1ubp s ALA 15 N -2.21 0.57 0.57 1.32 0.00 -1.26 -5.03 121.76 115.72 1ubp s ALA 15 Ca 0.67 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 1ubp s ALA 15 Cb -0.19 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1ubp s ALA 15 CO 0.34 -3.29 1.00 -1.21 0.00 0.00 0.00 175.76 172.60 1ubp s GLU 16 N -5.05 3.74 0.00 0.00 0.41 -1.26 -4.96 118.70 111.59 1ubp s GLU 16 Ca 0.68 0.80 0.00 0.00 -0.41 0.00 0.00 54.97 56.04 1ubp s GLU 16 Cb -0.16 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.06 1ubp s GLU 16 CO 0.58 -0.42 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 1ubp n GLY 17 N -2.23 -0.81 3.16 -1.39 0.00 -1.26 -5.07 105.19 97.60 1ubp n GLY 17 Ca 0.06 -2.20 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 1ubp n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ubp s GLU 18 N -0.18 0.81 -0.26 1.61 2.02 -1.26 -5.14 118.70 116.31 1ubp s GLU 18 Ca 0.00 -1.27 -0.08 0.00 0.02 0.00 0.00 54.97 53.64 1ubp s GLU 18 Cb 0.00 -0.25 -0.03 0.00 0.10 0.00 0.00 34.13 33.95 1ubp s GLU 18 CO 0.00 -0.00 0.09 0.42 0.02 0.00 0.00 175.26 175.79 1ubp s ILE 19 N -3.32 4.50 -0.21 -1.63 -1.09 -1.26 -5.08 121.20 113.11 1ubp s ILE 19 Ca 0.09 -0.11 -0.22 0.00 -2.23 0.00 0.00 60.65 58.18 1ubp s ILE 19 Cb 0.03 -3.12 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 1ubp s ILE 19 CO -0.04 0.32 0.70 -0.70 -1.23 0.00 0.00 174.94 173.99 1ubp s GLU 20 N 1.64 4.20 0.31 2.79 2.12 -1.26 -5.06 118.70 123.45 1ubp s GLU 20 Ca 0.06 0.74 -0.11 0.00 0.36 0.00 0.00 54.97 56.02 1ubp s GLU 20 Cb -0.15 -3.60 -0.07 0.00 0.26 0.00 0.00 34.13 30.56 1ubp s GLU 20 CO 0.05 -0.34 0.67 0.96 -0.54 0.00 0.00 175.26 176.06 1ubp s ILE 21 N 2.23 4.82 -1.46 -3.70 -4.36 -1.26 -4.30 121.20 113.17 1ubp s ILE 21 Ca 0.31 0.62 -0.07 0.00 -0.26 0.00 0.00 60.65 61.26 1ubp s ILE 21 Cb -0.16 -3.66 0.05 0.00 1.25 0.00 0.00 42.46 39.94 1ubp s ILE 21 CO 0.10 -0.26 0.71 0.59 0.24 0.00 0.00 174.94 176.32 1ubp n ASN 22 N -0.61 -2.28 -4.76 4.36 3.02 -1.26 -4.87 115.26 108.85 1ubp n ASN 22 Ca 0.02 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 1ubp n ASN 22 Cb 0.53 -3.50 -0.02 0.00 -0.61 0.00 0.00 39.78 36.18 1ubp n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ubp s ALA 23 N -3.59 3.52 0.00 5.41 0.00 -1.26 -2.92 121.76 122.92 1ubp s ALA 23 Ca 0.31 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1ubp s ALA 23 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1ubp s ALA 23 CO 0.86 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1ubp n GLY 24 N 1.18 1.14 3.89 0.00 0.00 -1.26 -5.03 105.19 105.10 1ubp n GLY 24 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1ubp n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubp s ARG 25 N -0.12 3.51 0.30 1.61 0.52 -1.15 -5.06 118.95 118.57 1ubp s ARG 25 Ca 0.00 -0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 1ubp s ARG 25 Cb 0.00 -3.13 -0.12 0.00 0.52 0.00 0.00 34.95 32.22 1ubp s ARG 25 CO 0.00 0.70 1.47 -1.91 0.02 0.00 0.00 175.30 175.58 1ubp n GLU 26 N 1.39 2.39 -4.44 3.54 2.13 -1.26 -4.85 120.64 119.54 1ubp n GLU 26 Ca -0.14 0.85 -0.33 0.00 0.66 0.00 0.00 57.16 58.20 1ubp n GLU 26 Cb 0.53 -2.55 -0.10 0.00 0.27 0.00 0.00 31.44 29.60 1ubp n GLU 26 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ubp s LYS 27 N -0.97 2.65 -0.03 5.31 1.02 -1.26 -3.38 119.74 123.08 1ubp s LYS 27 Ca 0.62 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1ubp s LYS 27 Cb -0.55 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.21 1ubp s LYS 27 CO 0.54 0.62 -0.03 0.99 -0.92 0.00 0.00 175.35 176.55 1ubp s THR 28 N -0.98 0.40 -0.18 2.17 2.01 -0.41 -4.97 115.64 113.67 1ubp s THR 28 Ca 0.17 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1ubp s THR 28 Cb -0.11 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1ubp s THR 28 CO 0.07 0.18 0.08 -0.89 -0.69 0.00 0.00 174.62 173.37 1ubp s THR 29 N 0.79 4.97 0.06 -0.82 2.01 -1.26 -0.22 115.64 121.16 1ubp s THR 29 Ca -0.09 0.03 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1ubp s THR 29 Cb -0.13 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1ubp s THR 29 CO -0.00 0.46 -0.07 0.27 -0.69 0.00 0.00 174.62 174.59 1ubp s ILE 30 N 0.29 0.55 -0.10 1.82 -4.36 -0.62 -4.99 121.20 113.79 1ubp s ILE 30 Ca 0.05 -1.37 -0.13 0.00 -0.26 0.00 0.00 60.65 58.94 1ubp s ILE 30 Cb -0.12 -0.96 -0.05 0.00 1.25 0.00 0.00 42.46 42.58 1ubp s ILE 30 CO -0.00 -0.57 0.30 -0.13 0.24 0.00 0.00 174.94 174.78 1ubp s ARG 31 N -2.38 3.99 -0.02 0.37 0.52 -1.26 -0.88 118.95 119.28 1ubp s ARG 31 Ca -0.03 0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 1ubp s ARG 31 Cb -0.04 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 32.12 1ubp s ARG 31 CO -0.02 0.48 -0.04 0.08 0.02 0.00 0.00 175.30 175.82 1ubp s VAL 32 N -0.30 0.44 -0.08 3.52 1.01 -0.37 -4.56 120.40 120.06 1ubp s VAL 32 Ca 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1ubp s VAL 32 Cb -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1ubp s VAL 32 CO 0.07 0.17 -0.22 -0.55 0.00 0.00 0.00 175.10 174.57 1ubp s SER 33 N 0.49 2.80 -0.60 3.32 0.15 -0.21 -1.69 113.70 117.96 1ubp s SER 33 Ca -0.06 -0.50 -0.25 0.00 0.70 0.00 0.00 55.95 55.85 1ubp s SER 33 Cb -0.09 -1.18 0.05 0.00 -1.71 0.00 0.00 66.02 63.08 1ubp s SER 33 CO -0.00 0.15 1.02 0.21 1.20 0.00 0.00 173.24 175.81 1ubp s ASN 34 N 0.30 6.29 0.00 5.45 2.47 0.05 -0.25 114.94 129.26 1ubp s ASN 34 Ca -0.15 -0.45 0.28 0.00 0.42 0.00 0.00 52.86 52.96 1ubp s ASN 34 Cb -0.17 -2.46 1.13 0.00 -1.45 0.00 0.00 41.25 38.31 1ubp s ASN 34 CO 0.07 -1.38 1.82 0.35 -3.72 0.00 0.00 177.10 174.25 1ubp n THR 35 N 6.21 0.00 -2.28 -5.21 -2.24 -0.82 -0.84 114.28 109.10 1ubp n THR 35 Ca 0.01 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1ubp n THR 35 Cb 0.47 -0.21 0.13 0.00 -2.10 0.00 0.00 70.33 68.62 1ubp n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ubp n GLY 36 N 1.39 -0.07 0.53 3.38 0.00 -1.26 -4.85 105.19 104.31 1ubp n GLY 36 Ca 0.10 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.27 1ubp n GLY 36 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ubp n ASP 37 N -3.20 2.96 -4.21 1.61 5.68 -1.26 -3.25 116.55 114.88 1ubp n ASP 37 Ca 0.14 -2.38 -0.17 0.00 -0.50 0.00 0.00 54.79 51.87 1ubp n ASP 37 Cb 0.50 -0.29 -0.11 0.00 -1.14 0.00 0.00 41.12 40.07 1ubp n ASP 37 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1ubp s ARG 38 N -1.68 0.92 0.32 0.11 0.52 -1.26 -4.82 118.95 113.06 1ubp s ARG 38 Ca 0.25 -1.13 -0.28 0.00 -0.52 0.00 0.00 55.73 54.04 1ubp s ARG 38 Cb 0.17 -0.80 -0.10 0.00 0.52 0.00 0.00 34.95 34.74 1ubp s ARG 38 CO 0.10 0.16 1.21 -1.25 0.02 0.00 0.00 175.30 175.54 1ubp s PRO 39 N -2.40 4.41 -0.09 3.54 0.04 -1.26 -4.35 135.00 134.88 1ubp s PRO 39 Ca 0.05 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1ubp s PRO 39 Cb -0.06 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1ubp s PRO 39 CO 0.02 -0.07 -0.21 0.42 0.04 0.00 0.00 177.00 177.20 1ubp s ILE 40 N -1.19 1.86 -0.10 0.56 1.01 -0.51 -5.01 121.20 117.81 1ubp s ILE 40 Ca 0.49 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1ubp s ILE 40 Cb -0.36 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1ubp s ILE 40 CO 0.46 0.52 -0.12 -1.58 0.00 0.00 0.00 174.94 174.22 1ubp s GLN 41 N 0.42 1.89 -0.15 2.79 0.74 -1.26 0.20 119.66 124.29 1ubp s GLN 41 Ca -0.18 -0.44 -0.01 0.00 0.05 0.00 0.00 55.36 54.79 1ubp s GLN 41 Cb -0.17 -1.69 -0.01 0.00 1.10 0.00 0.00 33.01 32.23 1ubp s GLN 41 CO 0.08 -0.11 -0.12 0.08 -0.55 0.00 0.00 175.29 174.67 1ubp s VAL 42 N 1.14 3.06 0.83 1.34 1.01 0.05 -4.94 120.40 122.89 1ubp s VAL 42 Ca -0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1ubp s VAL 42 Cb -0.14 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.02 1ubp s VAL 42 CO -0.03 0.50 1.18 -0.83 0.00 0.00 0.00 175.10 175.93 1ubp s GLY 43 N 0.63 1.60 0.36 4.51 0.00 -1.26 -1.17 107.32 111.99 1ubp s GLY 43 Ca -0.06 -0.66 0.06 0.00 0.00 0.00 0.00 44.72 44.06 1ubp s GLY 43 CO 0.03 -0.15 1.91 1.48 0.00 0.00 0.00 173.10 176.37 1ubp h SER 44 N -1.12 0.41 -0.21 1.64 4.64 -1.71 -3.31 113.55 113.89 1ubp h SER 44 Ca -0.46 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1ubp h SER 44 Cb 1.33 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ubp h SER 44 CO 0.64 0.48 0.00 1.41 -0.87 0.00 0.00 176.83 178.49 1ubp n HIS 45 N -4.31 0.46 -2.90 4.77 8.25 -1.26 -3.50 115.22 116.72 1ubp n HIS 45 Ca 0.01 -0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 56.37 1ubp n HIS 45 Cb 0.22 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 1ubp n HIS 45 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1ubp s ILE 46 N -1.85 4.94 -0.35 1.59 2.07 -1.25 -4.98 121.20 121.37 1ubp s ILE 46 Ca 0.26 1.66 -0.39 0.00 -1.41 0.00 0.00 60.65 60.77 1ubp s ILE 46 Cb 0.19 -4.14 -0.15 0.00 0.13 0.00 0.00 42.46 38.49 1ubp s ILE 46 CO 0.09 0.14 1.95 1.57 -1.91 0.00 0.00 174.94 176.77 1ubp n HIS 47 N 4.41 1.76 0.11 3.50 -0.00 -1.26 -4.58 115.22 119.15 1ubp n HIS 47 Ca 0.03 0.51 0.01 0.00 -0.00 0.00 0.00 57.72 58.27 1ubp n HIS 47 Cb 0.50 -2.45 0.34 0.00 -0.00 0.00 0.00 29.99 28.39 1ubp n HIS 47 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1ubp h PHE 48 N 9.08 0.27 0.00 1.57 3.57 -1.17 -1.32 116.94 128.94 1ubp h PHE 48 Ca -0.34 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1ubp h PHE 48 Cb 1.34 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1ubp h PHE 48 CO 0.86 0.44 0.00 -0.24 -2.23 0.00 0.00 178.31 177.14 1ubp h VAL 49 N 0.24 0.00 -0.70 1.41 3.04 -1.79 -2.81 116.25 115.64 1ubp h VAL 49 Ca 0.04 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1ubp h VAL 49 Cb 0.48 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1ubp h VAL 49 CO 0.03 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.97 1ubp n GLU 50 N -2.86 2.96 -1.27 4.17 1.02 -0.50 -4.97 120.64 119.20 1ubp n GLU 50 Ca -0.02 -2.66 -0.30 0.00 -0.02 0.00 0.00 57.16 54.16 1ubp n GLU 50 Cb 0.12 -1.65 0.12 0.00 -0.02 0.00 0.00 31.44 30.00 1ubp n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1ubp s VAL 51 N -1.26 2.92 -0.02 2.62 -7.23 -1.06 -4.65 120.40 111.70 1ubp s VAL 51 Ca 0.49 0.30 -0.21 0.00 -1.81 0.00 0.00 61.98 60.75 1ubp s VAL 51 Cb 0.27 -2.82 -0.10 0.00 0.56 0.00 0.00 36.38 34.29 1ubp s VAL 51 CO 0.30 -0.39 0.57 -3.20 -0.31 0.00 0.00 175.10 172.08 1ubp n ASN 52 N -3.72 0.06 -0.31 4.85 2.85 -1.26 -4.80 115.26 112.93 1ubp n ASN 52 Ca 0.08 0.60 0.24 0.00 -0.11 0.00 0.00 54.58 55.38 1ubp n ASN 52 Cb 0.55 -0.47 0.54 0.00 1.24 0.00 0.00 39.78 41.64 1ubp n ASN 52 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1ubp h LYS 53 N 1.64 0.33 -0.00 1.20 1.57 -1.89 -1.62 116.57 117.79 1ubp h LYS 53 Ca -0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ubp h LYS 53 Cb 0.73 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1ubp h LYS 53 CO 0.35 0.22 -0.01 0.39 -0.57 0.00 0.00 179.45 179.83 1ubp n GLU 54 N -4.56 0.94 -2.75 3.15 -0.58 -1.26 -1.52 120.64 114.06 1ubp n GLU 54 Ca 0.25 -0.10 -0.43 0.00 -0.42 0.00 0.00 57.16 56.46 1ubp n GLU 54 Cb 0.91 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.25 1ubp n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ubp s LEU 55 N -2.13 4.03 -0.26 -4.62 1.43 -0.61 -1.94 118.68 114.58 1ubp s LEU 55 Ca 0.42 1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1ubp s LEU 55 Cb 0.21 -3.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 1ubp s LEU 55 CO 0.39 -0.71 0.21 -0.22 0.23 0.00 0.00 176.35 176.24 1ubp s LEU 56 N 3.26 4.06 0.26 1.79 2.96 0.65 -4.27 118.68 127.40 1ubp s LEU 56 Ca 0.41 0.09 -0.21 0.00 -0.22 0.00 0.00 54.13 54.19 1ubp s LEU 56 Cb -0.14 -2.16 0.04 0.00 0.50 0.00 0.00 46.19 44.43 1ubp s LEU 56 CO 0.11 -0.02 0.82 0.72 -1.32 0.00 0.00 176.35 176.66 1ubp s PHE 57 N 1.52 -0.10 -0.74 5.38 -0.71 -1.25 -1.05 117.98 121.04 1ubp s PHE 57 Ca 0.08 -0.36 -0.26 0.00 -1.04 0.00 0.00 56.93 55.36 1ubp s PHE 57 Cb -0.15 0.71 -0.02 0.00 -1.21 0.00 0.00 43.02 42.36 1ubp s PHE 57 CO 0.08 -1.17 1.80 0.34 -1.34 0.00 0.00 175.22 174.94 1ubp s ASP 58 N -2.99 5.41 0.36 1.98 -1.08 -1.26 -4.08 116.67 115.01 1ubp s ASP 58 Ca 0.13 -0.18 0.09 0.00 -0.52 0.00 0.00 52.55 52.07 1ubp s ASP 58 Cb -0.04 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.69 1ubp s ASP 58 CO 0.06 -2.38 1.90 0.03 0.52 0.00 0.00 175.17 175.30 1ubp h ARG 59 N 12.95 0.66 -0.29 4.34 2.47 -1.71 -0.42 114.38 132.38 1ubp h ARG 59 Ca -0.12 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.64 1ubp h ARG 59 Cb 1.09 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1ubp h ARG 59 CO 1.24 0.44 0.21 0.00 0.56 0.00 0.00 179.97 182.42 1ubp h ALA 60 N 1.60 2.28 0.00 0.04 0.00 -1.88 -0.24 119.26 121.06 1ubp h ALA 60 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ubp h ALA 60 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ubp h ALA 60 CO -0.17 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.11 1ubp n GLU 61 N -4.45 0.28 0.03 0.00 -0.58 -0.17 -2.89 120.64 112.86 1ubp n GLU 61 Ca 0.04 0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.91 1ubp n GLU 61 Cb 0.38 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.86 1ubp n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ubp n GLY 62 N 1.28 -1.29 3.71 0.62 0.00 -0.10 -4.87 105.19 104.55 1ubp n GLY 62 Ca 0.12 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1ubp n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ubp s ILE 63 N -3.15 3.37 -0.81 -0.61 1.01 -1.14 -2.65 121.20 117.22 1ubp s ILE 63 Ca 0.06 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1ubp s ILE 63 Cb 0.15 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1ubp s ILE 63 CO 0.76 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.36 1ubp n GLY 64 N 3.55 0.95 3.26 6.18 0.00 -1.26 -4.99 105.19 112.89 1ubp n GLY 64 Ca 0.12 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1ubp n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ubp s ARG 65 N -2.46 1.20 0.27 1.61 0.52 -1.09 -1.28 118.95 117.72 1ubp s ARG 65 Ca 0.00 -1.60 -0.09 0.00 -0.52 0.00 0.00 55.73 53.51 1ubp s ARG 65 Cb 0.00 -0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.21 1ubp s ARG 65 CO 0.00 -0.19 0.44 -0.98 0.02 0.00 0.00 175.30 174.59 1ubp s ARG 66 N -3.96 1.60 0.31 3.54 1.70 -0.23 -1.12 118.95 120.79 1ubp s ARG 66 Ca 0.28 -1.42 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 1ubp s ARG 66 Cb 0.07 0.44 -0.11 0.00 -0.57 0.00 0.00 34.95 34.78 1ubp s ARG 66 CO 0.07 -0.65 1.43 -0.51 -1.08 0.00 0.00 175.30 174.56 1ubp s LEU 67 N -3.09 4.37 -1.36 -1.89 1.43 -1.23 -0.10 118.68 116.82 1ubp s LEU 67 Ca 0.26 2.81 -0.07 0.00 -1.03 0.00 0.00 54.13 56.11 1ubp s LEU 67 Cb 0.00 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.67 1ubp s LEU 67 CO 0.12 -0.72 2.39 -3.20 0.23 0.00 0.00 176.35 175.16 1ubp n ASN 68 N 1.35 7.63 -4.29 2.29 5.15 0.23 -4.56 115.26 123.06 1ubp n ASN 68 Ca 0.03 -3.05 -0.17 0.00 -0.60 0.00 0.00 54.58 50.79 1ubp n ASN 68 Cb 0.40 -1.41 -0.10 0.00 -0.53 0.00 0.00 39.78 38.14 1ubp n ASN 68 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ubp s ILE 69 N -0.38 1.46 0.29 -1.44 -4.36 -1.26 -4.92 121.20 110.59 1ubp s ILE 69 Ca 0.54 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.63 1ubp s ILE 69 Cb 0.17 -1.83 -0.14 0.00 1.25 0.00 0.00 42.46 41.91 1ubp s ILE 69 CO -0.07 -0.57 1.10 -2.65 0.24 0.00 0.00 174.94 172.98 1ubp n PRO 70 N -0.03 1.54 -1.68 0.37 -0.02 -1.26 -4.78 135.00 129.13 1ubp n PRO 70 Ca -0.11 0.54 -0.53 0.00 -2.02 0.00 0.00 63.50 61.38 1ubp n PRO 70 Cb 0.59 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1ubp n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ubp n SER 71 N 1.23 2.64 0.00 2.55 2.88 -1.26 -1.74 113.62 119.93 1ubp n SER 71 Ca 0.09 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1ubp n SER 71 Cb 0.32 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1ubp n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ubp n GLY 72 N 3.99 0.65 4.01 0.46 0.00 -1.26 -5.05 105.19 107.99 1ubp n GLY 72 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1ubp n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ubp n THR 73 N -2.02 0.00 -3.79 2.61 -2.24 -0.71 -4.89 114.28 103.24 1ubp n THR 73 Ca 0.00 -1.88 -0.09 0.00 -2.27 0.00 0.00 64.05 59.81 1ubp n THR 73 Cb 0.00 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 67.55 1ubp n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ubp s ALA 74 N -2.86 -0.46 -0.12 6.98 0.00 -1.26 -1.98 121.76 122.05 1ubp s ALA 74 Ca 0.64 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 1ubp s ALA 74 Cb -0.05 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1ubp s ALA 74 CO 0.41 -0.54 0.03 0.00 0.00 0.00 0.00 175.76 175.66 1ubp s ALA 75 N -3.73 3.34 -0.11 0.00 0.00 -0.31 -4.92 121.76 116.03 1ubp s ALA 75 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ubp s ALA 75 Cb 0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1ubp s ALA 75 CO -0.11 0.44 -0.10 0.50 0.00 0.00 0.00 175.76 176.49 1ubp s ARG 76 N -0.41 3.16 -0.31 0.00 3.52 -1.26 -0.77 118.95 122.88 1ubp s ARG 76 Ca 0.08 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 1ubp s ARG 76 Cb -0.12 -2.63 0.07 0.00 -1.56 0.00 0.00 34.95 30.71 1ubp s ARG 76 CO 0.02 0.38 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.83 1ubp s PHE 77 N -0.07 3.45 0.83 5.12 0.40 0.13 -5.00 117.98 122.83 1ubp s PHE 77 Ca -0.01 -2.43 -0.11 0.00 -0.60 0.00 0.00 56.93 53.78 1ubp s PHE 77 Cb -0.14 -2.40 0.09 0.00 0.51 0.00 0.00 43.02 41.08 1ubp s PHE 77 CO 0.03 -0.89 1.10 -1.21 0.70 0.00 0.00 175.22 174.95 1ubp s GLU 78 N 1.08 1.81 -0.13 0.44 0.41 -1.26 -1.42 118.70 119.62 1ubp s GLU 78 Ca -0.01 1.18 -0.36 0.00 -0.41 0.00 0.00 54.97 55.37 1ubp s GLU 78 Cb -0.20 -1.84 -0.13 0.00 -1.78 0.00 0.00 34.13 30.17 1ubp s GLU 78 CO -0.05 -1.96 1.80 -2.30 -0.49 0.00 0.00 175.26 172.26 1ubp n PRO 79 N -3.74 1.79 -0.89 0.39 -0.02 -1.26 -1.03 135.00 130.24 1ubp n PRO 79 Ca 0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1ubp n PRO 79 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1ubp n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ubp n GLY 80 N 4.22 0.88 3.72 -1.23 0.00 -0.02 -5.01 105.19 107.75 1ubp n GLY 80 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1ubp n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ubp s GLU 81 N -0.11 4.55 -0.10 1.61 2.12 -0.20 -4.76 118.70 121.81 1ubp s GLU 81 Ca 0.00 1.25 0.03 0.00 0.36 0.00 0.00 54.97 56.60 1ubp s GLU 81 Cb 0.00 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1ubp s GLU 81 CO 0.00 0.09 -0.18 -2.00 -0.54 0.00 0.00 175.26 172.63 1ubp s GLU 82 N 0.55 3.02 0.24 4.30 2.12 -1.26 -0.77 118.70 126.89 1ubp s GLU 82 Ca 0.45 -0.78 -0.16 0.00 0.36 0.00 0.00 54.97 54.85 1ubp s GLU 82 Cb -0.21 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.77 1ubp s GLU 82 CO 0.25 0.30 0.54 0.00 -0.54 0.00 0.00 175.26 175.81 1ubp s MET 83 N 0.09 1.55 0.10 4.30 0.23 -0.68 -4.98 119.30 119.92 1ubp s MET 83 Ca -0.08 -1.09 -0.13 0.00 -1.03 0.00 0.00 55.69 53.36 1ubp s MET 83 Cb -0.15 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.60 1ubp s MET 83 CO 0.05 -0.66 0.48 -1.21 -2.03 0.00 0.00 175.02 171.65 1ubp s GLU 84 N -3.96 3.89 0.14 3.16 2.02 -1.26 -1.24 118.70 121.45 1ubp s GLU 84 Ca 0.16 0.36 0.05 0.00 0.02 0.00 0.00 54.97 55.56 1ubp s GLU 84 Cb -0.02 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1ubp s GLU 84 CO 0.05 0.53 -0.12 0.14 0.02 0.00 0.00 175.26 175.89 1ubp s VAL 85 N -1.39 1.27 -0.17 2.63 -7.23 -0.06 -4.98 120.40 110.47 1ubp s VAL 85 Ca 0.34 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.55 1ubp s VAL 85 Cb -0.15 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 1ubp s VAL 85 CO 0.18 -0.59 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.66 1ubp s GLU 86 N -3.26 3.69 0.13 4.82 2.12 -1.26 -1.58 118.70 123.36 1ubp s GLU 86 Ca 0.13 -0.50 0.03 0.00 0.36 0.00 0.00 54.97 54.99 1ubp s GLU 86 Cb -0.01 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1ubp s GLU 86 CO 0.02 0.20 0.21 -0.51 -0.54 0.00 0.00 175.26 174.64 1ubp s LEU 87 N 0.49 4.14 0.37 2.70 1.43 0.69 -0.60 118.68 127.91 1ubp s LEU 87 Ca -0.02 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1ubp s LEU 87 Cb -0.14 -2.74 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 1ubp s LEU 87 CO 0.02 0.08 -0.00 0.28 0.23 0.00 0.00 176.35 176.97 1ubp s THR 88 N -1.68 1.84 0.23 5.49 -1.32 0.86 -1.29 115.64 119.77 1ubp s THR 88 Ca 0.33 -2.04 -0.25 0.00 -1.21 0.00 0.00 61.69 58.52 1ubp s THR 88 Cb -0.11 -2.86 -0.09 0.00 -1.51 0.00 0.00 72.50 67.93 1ubp s THR 88 CO 0.26 -0.05 0.83 -1.61 -2.21 0.00 0.00 174.62 171.84 1ubp s GLU 89 N -3.74 4.55 0.59 7.08 0.41 -1.22 -1.07 118.70 125.31 1ubp s GLU 89 Ca 0.35 1.19 -0.19 0.00 -0.41 0.00 0.00 54.97 55.91 1ubp s GLU 89 Cb 0.08 -3.07 -0.03 0.00 -1.78 0.00 0.00 34.13 29.33 1ubp s GLU 89 CO 0.17 0.45 1.20 -0.51 -0.49 0.00 0.00 175.26 176.08 1ubp s LEU 90 N -1.56 3.65 0.00 1.80 1.43 -0.40 -4.84 118.68 118.77 1ubp s LEU 90 Ca 0.42 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1ubp s LEU 90 Cb -0.21 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.41 1ubp s LEU 90 CO 0.25 -1.59 0.00 0.61 0.23 0.00 0.00 176.35 175.86 1ubp n GLY 91 N 0.46 4.15 7.00 -3.19 0.00 -1.26 -4.84 105.19 107.51 1ubp n GLY 91 Ca 0.13 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1ubp n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ubp n GLY 92 N 5.00 3.17 0.04 -0.02 0.00 -1.26 -1.55 105.19 110.56 1ubp n GLY 92 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.05 1ubp n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ubp n ASN 93 N 3.17 0.15 -3.77 1.61 3.02 -1.26 -4.92 115.26 113.26 1ubp n ASN 93 Ca 0.00 -0.33 -0.32 0.00 -0.03 0.00 0.00 54.58 53.90 1ubp n ASN 93 Cb 0.00 -0.20 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1ubp n ASN 93 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ubp n ARG 94 N -1.17 -1.50 -4.28 3.52 1.74 -0.60 -4.91 116.66 109.47 1ubp n ARG 94 Ca 0.15 0.41 -0.18 0.00 -0.77 0.00 0.00 57.85 57.46 1ubp n ARG 94 Cb 0.24 -4.03 -0.14 0.00 -1.02 0.00 0.00 32.46 27.52 1ubp n ARG 94 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ubp s GLU 95 N -6.23 0.69 -0.04 5.56 2.02 -1.26 -1.90 118.70 117.53 1ubp s GLU 95 Ca 0.40 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.96 1ubp s GLU 95 Cb -0.15 -0.64 0.01 0.00 0.10 0.00 0.00 34.13 33.45 1ubp s GLU 95 CO 0.88 0.17 -0.10 0.08 0.02 0.00 0.00 175.26 176.30 1ubp s VAL 96 N -0.50 0.92 0.06 2.63 1.01 -0.44 -4.93 120.40 119.15 1ubp s VAL 96 Ca 0.01 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1ubp s VAL 96 Cb -0.05 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1ubp s VAL 96 CO 0.00 0.29 -0.19 -0.36 0.00 0.00 0.00 175.10 174.84 1ubp s PHE 97 N 0.43 1.65 0.00 5.22 0.08 -1.26 -0.77 117.98 123.33 1ubp s PHE 97 Ca -0.08 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1ubp s PHE 97 Cb -0.12 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 1ubp s PHE 97 CO 0.02 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.66 1ubp n GLY 98 N 1.57 1.86 6.88 4.36 0.00 -1.26 -4.90 105.19 113.71 1ubp n GLY 98 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1ubp n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ubp n ILE 99 N 0.00 0.00 0.32 -0.61 5.41 -1.26 -0.64 119.36 122.59 1ubp n ILE 99 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 1ubp n ILE 99 Cb 0.00 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.07 1ubp n ILE 99 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ubp n SER 100 N 7.58 2.86 -3.11 4.38 7.64 -1.26 -4.96 113.62 126.75 1ubp n SER 100 Ca 0.00 -1.84 -0.23 0.00 1.01 0.00 0.00 58.87 57.82 1ubp n SER 100 Cb 0.00 -0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.10 1ubp n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ubp n ASP 101 N 1.03 -6.17 0.05 6.43 8.00 0.19 -4.91 116.55 121.17 1ubp n ASP 101 Ca 0.13 -0.34 0.11 0.00 0.71 0.00 0.00 54.79 55.40 1ubp n ASP 101 Cb 0.47 -4.94 -0.07 0.00 -0.02 0.00 0.00 41.12 36.56 1ubp n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ubp n LEU 102 N -4.22 0.49 0.00 0.64 4.77 -1.26 -4.76 117.00 112.67 1ubp n LEU 102 Ca -0.09 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1ubp n LEU 102 Cb 0.61 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1ubp n LEU 102 CO 0.51 -0.10 -0.09 0.41 -1.33 0.00 0.00 177.39 176.79 1ubp n THR 103 N -2.51 0.52 -3.90 -5.08 -1.04 -1.26 -4.35 114.28 96.67 1ubp n THR 103 Ca -0.02 0.23 -0.40 0.00 -2.04 0.00 0.00 64.05 61.82 1ubp n THR 103 Cb 0.57 -1.44 0.03 0.00 -1.82 0.00 0.00 70.33 67.67 1ubp n THR 103 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ubp n ASN 104 N -3.02 -4.70 0.00 8.00 3.02 0.05 -4.74 115.26 113.86 1ubp n ASN 104 Ca -0.02 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1ubp n ASN 104 Cb 0.07 -2.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 1ubp n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ubp n GLY 105 N -1.91 0.04 3.77 7.41 0.00 -0.41 -4.97 105.19 109.11 1ubp n GLY 105 Ca -0.11 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 1ubp n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ubp s SER 106 N -4.00 6.12 0.00 1.61 0.15 -1.26 -1.32 113.70 114.99 1ubp s SER 106 Ca 0.00 2.51 0.29 0.00 0.70 0.00 0.00 55.95 59.45 1ubp s SER 106 Cb 0.00 -2.62 1.56 0.00 -1.71 0.00 0.00 66.02 63.25 1ubp s SER 106 CO 0.00 -0.97 2.04 1.33 1.20 0.00 0.00 173.24 176.84 1ubp n VAL 107 N -0.28 0.04 0.24 4.45 0.24 -0.80 -3.05 118.33 119.17 1ubp n VAL 107 Ca 0.06 0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.50 1ubp n VAL 107 Cb 0.46 -0.54 0.55 0.00 -1.47 0.00 0.00 33.84 32.84 1ubp n VAL 107 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1ubp h ASP 108 N 0.00 0.00 -0.36 -1.34 3.32 -1.90 -3.36 116.42 112.78 1ubp h ASP 108 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 1ubp h ASP 108 Cb 0.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1ubp h ASP 108 CO 0.00 0.13 3.07 0.59 -1.72 0.00 0.00 179.24 181.31 1ubp n ASN 109 N -3.28 5.81 -0.21 6.45 3.02 -1.17 -4.75 115.26 121.13 1ubp n ASN 109 Ca 0.00 -2.85 -0.07 0.00 -0.03 0.00 0.00 54.58 51.64 1ubp n ASN 109 Cb 0.38 -1.57 0.03 0.00 -0.61 0.00 0.00 39.78 38.01 1ubp n ASN 109 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ubp h LYS 110 N 5.55 0.88 -0.82 3.52 1.57 -1.89 -1.88 116.57 123.50 1ubp h LYS 110 Ca 0.63 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 1ubp h LYS 110 Cb 0.51 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1ubp h LYS 110 CO 1.78 0.74 0.41 0.93 -0.57 0.00 0.00 179.45 182.73 1ubp h GLU 111 N 0.82 1.17 -0.36 3.15 5.08 -1.96 -0.89 114.58 121.60 1ubp h GLU 111 Ca 0.20 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1ubp h GLU 111 Cb 0.17 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ubp h GLU 111 CO -0.02 0.89 -0.40 1.25 -1.00 0.00 0.00 179.01 179.73 1ubp h LEU 112 N 1.17 0.94 -0.15 1.33 5.85 -1.88 -1.38 115.31 121.19 1ubp h LEU 112 Ca 0.29 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1ubp h LEU 112 Cb 0.09 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1ubp h LEU 112 CO -0.04 1.21 0.06 0.40 -0.34 0.00 0.00 178.44 179.74 1ubp h ILE 113 N 0.71 1.14 -0.54 4.05 2.04 -1.09 -1.69 117.51 122.13 1ubp h ILE 113 Ca 0.06 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 1ubp h ILE 113 Cb 0.98 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1ubp h ILE 113 CO 0.09 0.13 -0.01 -0.07 0.00 0.00 0.00 178.15 178.29 1ubp h LEU 114 N 0.10 0.90 -0.47 1.44 3.38 -1.12 -0.73 115.31 118.80 1ubp h LEU 114 Ca 0.05 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1ubp h LEU 114 Cb 0.15 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1ubp h LEU 114 CO -0.01 0.97 0.26 -0.61 0.09 0.00 0.00 178.44 179.15 1ubp h GLN 115 N 0.85 0.51 -0.46 1.13 4.15 -1.04 0.11 115.11 120.36 1ubp h GLN 115 Ca 0.16 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 1ubp h GLN 115 Cb 0.52 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1ubp h GLN 115 CO 0.03 0.34 -0.04 0.00 -1.93 0.00 0.00 178.83 177.22 1ubp h ARG 116 N 0.52 0.84 -0.60 1.69 3.08 -1.03 -2.06 114.38 116.83 1ubp h ARG 116 Ca 0.20 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1ubp h ARG 116 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1ubp h ARG 116 CO -0.11 0.91 0.27 0.00 -1.07 0.00 0.00 179.97 179.98 1ubp h ALA 117 N 0.90 0.77 -0.44 0.04 0.00 -0.86 -1.57 119.26 118.10 1ubp h ALA 117 Ca 0.13 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1ubp h ALA 117 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ubp h ALA 117 CO 0.03 0.35 -0.17 -0.22 0.00 0.00 0.00 179.25 179.24 1ubp h LYS 118 N 0.82 0.89 -0.42 0.00 3.64 -0.67 -0.84 116.57 119.98 1ubp h LYS 118 Ca 0.20 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1ubp h LYS 118 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1ubp h LYS 118 CO -0.02 1.02 0.07 1.49 -2.27 0.00 0.00 179.45 179.74 1ubp h GLU 119 N 0.72 0.64 -0.34 1.90 4.57 -1.13 -2.24 114.58 118.69 1ubp h GLU 119 Ca 0.10 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1ubp h GLU 119 Cb 0.73 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1ubp h GLU 119 CO 0.06 0.60 0.00 1.28 -1.18 0.00 0.00 179.01 179.77 1ubp n LEU 120 N -4.30 2.14 -0.54 1.64 4.77 -0.61 -4.95 117.00 115.15 1ubp n LEU 120 Ca 0.03 -1.01 -0.05 0.00 -0.03 0.00 0.00 56.01 54.95 1ubp n LEU 120 Cb 0.22 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ubp n LEU 120 CO 0.39 0.51 -0.06 0.61 -1.33 0.00 0.00 177.39 177.50 1ubp n GLY 121 N 1.18 0.21 3.60 -0.72 0.00 -0.84 -5.01 105.19 103.60 1ubp n GLY 121 Ca 0.15 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1ubp n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ubp s TYR 122 N -2.24 2.64 0.35 1.61 1.51 -0.37 -4.78 117.35 116.07 1ubp s TYR 122 Ca 0.00 0.70 -0.28 0.00 -1.01 0.00 0.00 57.07 56.47 1ubp s TYR 122 Cb 0.00 -4.38 -0.11 0.00 -0.11 0.00 0.00 41.96 37.36 1ubp s TYR 122 CO 0.00 -1.57 1.44 0.15 -1.11 0.00 0.00 175.55 174.46 1ubp s LYS 123 N 4.66 4.18 0.00 -0.62 1.02 -0.58 -4.04 119.74 124.36 1ubp s LYS 123 Ca 0.54 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.99 1ubp s LYS 123 Cb -0.10 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1ubp s LYS 123 CO 0.32 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1ubp n GLY 124 N 0.74 1.13 3.64 -3.33 0.00 -1.26 -3.83 105.19 102.28 1ubp n GLY 124 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1ubp n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ubp s VAL 125 N -2.00 4.39 0.00 1.61 1.01 -1.26 -2.20 120.40 121.95 1ubp s VAL 125 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1ubp s VAL 125 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1ubp s VAL 125 CO 0.00 -0.41 0.00 -1.84 0.00 0.00 0.00 175.10 172.85