#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ubp n TYR 6 N 0.00 1.79 -3.38 3.10 4.19 -1.26 -4.96 117.16 116.64 2ubp n TYR 6 Ca 0.00 0.79 -0.39 0.00 3.31 0.00 0.00 57.90 61.60 2ubp n TYR 6 Cb 0.00 -2.34 -0.09 0.00 0.49 0.00 0.00 39.34 37.40 2ubp n TYR 6 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2ubp s ILE 7 N 2.77 5.16 -0.46 2.97 1.01 -1.26 -5.04 121.20 126.36 2ubp s ILE 7 Ca 0.99 0.48 -0.15 0.00 0.00 0.00 0.00 60.65 61.97 2ubp s ILE 7 Cb -1.21 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 37.59 2ubp s ILE 7 CO 0.68 0.09 0.38 -0.69 0.00 0.00 0.00 174.94 175.41 2ubp s VAL 8 N 2.09 5.17 0.01 2.92 1.01 -1.26 -5.05 120.40 125.29 2ubp s VAL 8 Ca 0.15 -1.06 -0.37 0.00 0.00 0.00 0.00 61.98 60.70 2ubp s VAL 8 Cb -0.16 -4.08 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 2ubp s VAL 8 CO 0.10 -0.55 1.46 -2.65 0.00 0.00 0.00 175.10 173.46 2ubp n PRO 9 N 5.18 1.25 -1.27 2.72 -0.02 -1.26 -1.99 135.00 139.61 2ubp n PRO 9 Ca -0.12 0.45 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 2ubp n PRO 9 Cb 0.44 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 2ubp n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ubp n GLY 10 N 2.99 1.08 3.79 -1.23 0.00 -1.26 -5.00 105.19 105.55 2ubp n GLY 10 Ca 0.20 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2ubp n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ubp s GLU 11 N -2.66 3.03 0.36 1.61 -1.05 -0.84 -5.02 118.70 114.11 2ubp s GLU 11 Ca 0.00 1.30 -0.14 0.00 -0.15 0.00 0.00 54.97 55.98 2ubp s GLU 11 Cb 0.00 -1.99 -0.08 0.00 -0.44 0.00 0.00 34.13 31.62 2ubp s GLU 11 CO 0.00 -1.06 0.77 0.71 0.95 0.00 0.00 175.26 176.63 2ubp s TYR 12 N -2.40 3.40 -0.49 4.83 2.02 -1.26 -5.05 117.35 118.39 2ubp s TYR 12 Ca 0.65 1.20 0.03 0.00 -0.37 0.00 0.00 57.07 58.59 2ubp s TYR 12 Cb -0.18 -2.54 0.14 0.00 -0.40 0.00 0.00 41.96 38.98 2ubp s TYR 12 CO 0.40 0.01 0.28 0.50 -1.57 0.00 0.00 175.55 175.17 2ubp s ARG 13 N -3.26 1.60 0.48 -0.62 3.52 -1.26 -5.12 118.95 114.29 2ubp s ARG 13 Ca 0.54 -2.34 -0.21 0.00 -0.13 0.00 0.00 55.73 53.59 2ubp s ARG 13 Cb -0.10 -2.69 -0.08 0.00 -1.56 0.00 0.00 34.95 30.52 2ubp s ARG 13 CO 0.21 -1.17 1.05 0.14 -0.81 0.00 0.00 175.30 174.72 2ubp s VAL 14 N -0.06 3.71 1.21 7.11 -7.23 -1.26 -5.04 120.40 118.85 2ubp s VAL 14 Ca 0.19 1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 61.27 2ubp s VAL 14 Cb -0.21 -3.46 0.29 0.00 0.56 0.00 0.00 36.38 33.56 2ubp s VAL 14 CO -0.03 -0.21 1.07 0.00 -0.31 0.00 0.00 175.10 175.62 2ubp s ALA 15 N -1.92 0.31 0.50 1.32 0.00 -1.26 -5.03 121.76 115.67 2ubp s ALA 15 Ca 0.67 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 2ubp s ALA 15 Cb -0.18 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 2ubp s ALA 15 CO 0.21 -3.70 0.88 -1.21 0.00 0.00 0.00 175.76 171.94 2ubp s GLU 16 N -5.21 3.70 0.00 0.00 0.41 -1.26 -4.97 118.70 111.37 2ubp s GLU 16 Ca 0.69 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.80 2ubp s GLU 16 Cb -0.13 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 2ubp s GLU 16 CO 0.57 -0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.49 2ubp n GLY 17 N -1.98 -0.76 3.21 -1.39 0.00 -1.26 -5.06 105.19 97.94 2ubp n GLY 17 Ca 0.03 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 2ubp n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ubp s GLU 18 N -0.25 0.94 -0.26 1.61 2.02 -1.26 -5.13 118.70 116.37 2ubp s GLU 18 Ca 0.00 -1.28 -0.08 0.00 0.02 0.00 0.00 54.97 53.63 2ubp s GLU 18 Cb 0.00 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.63 2ubp s GLU 18 CO 0.00 0.08 0.10 0.42 0.02 0.00 0.00 175.26 175.88 2ubp s ILE 19 N -2.82 4.59 -0.19 -1.63 -1.09 -1.26 -5.07 121.20 113.72 2ubp s ILE 19 Ca 0.10 -0.08 -0.24 0.00 -2.23 0.00 0.00 60.65 58.20 2ubp s ILE 19 Cb -0.00 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2ubp s ILE 19 CO 0.00 0.32 0.80 -0.70 -1.23 0.00 0.00 174.94 174.13 2ubp s GLU 20 N 1.63 4.25 0.16 2.79 2.12 -1.26 -5.05 118.70 123.35 2ubp s GLU 20 Ca 0.06 0.94 -0.09 0.00 0.36 0.00 0.00 54.97 56.24 2ubp s GLU 20 Cb -0.15 -3.59 -0.06 0.00 0.26 0.00 0.00 34.13 30.58 2ubp s GLU 20 CO 0.06 -0.37 0.48 0.96 -0.54 0.00 0.00 175.26 175.85 2ubp s ILE 21 N 2.30 5.01 -1.47 -3.70 -4.36 -1.26 -4.42 121.20 113.30 2ubp s ILE 21 Ca 0.36 0.42 -0.08 0.00 -0.26 0.00 0.00 60.65 61.10 2ubp s ILE 21 Cb -0.16 -3.64 0.06 0.00 1.25 0.00 0.00 42.46 39.96 2ubp s ILE 21 CO 0.11 0.09 0.76 0.59 0.24 0.00 0.00 174.94 176.72 2ubp n ASN 22 N 0.30 -2.65 -4.75 4.36 3.02 -1.26 -4.87 115.26 109.40 2ubp n ASN 22 Ca -0.03 -0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 2ubp n ASN 22 Cb 0.52 -3.59 -0.03 0.00 -0.61 0.00 0.00 39.78 36.08 2ubp n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ubp s ALA 23 N -3.54 3.52 -0.00 5.41 0.00 -1.26 -3.01 121.76 122.88 2ubp s ALA 23 Ca 0.36 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2ubp s ALA 23 Cb -0.18 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2ubp s ALA 23 CO 0.85 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2ubp n GLY 24 N 1.84 0.50 3.76 0.00 0.00 -1.26 -5.01 105.19 105.01 2ubp n GLY 24 Ca 0.04 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2ubp n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ubp s ARG 25 N -0.04 2.98 0.28 1.61 0.52 -1.16 -5.06 118.95 118.07 2ubp s ARG 25 Ca 0.00 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 2ubp s ARG 25 Cb 0.00 -2.80 -0.11 0.00 0.52 0.00 0.00 34.95 32.56 2ubp s ARG 25 CO 0.00 0.63 1.55 -2.00 0.02 0.00 0.00 175.30 175.50 2ubp s GLU 26 N -1.76 4.16 0.04 3.54 2.12 -1.26 -4.83 118.70 120.71 2ubp s GLU 26 Ca 0.23 2.50 0.03 0.00 0.36 0.00 0.00 54.97 58.08 2ubp s GLU 26 Cb -0.12 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 2ubp s GLU 26 CO 0.14 -0.57 0.02 0.15 -0.54 0.00 0.00 175.26 174.46 2ubp s LYS 27 N -0.52 2.75 -0.03 4.30 1.02 -1.26 -3.27 119.74 122.74 2ubp s LYS 27 Ca 0.62 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.93 2ubp s LYS 27 Cb -0.46 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2ubp s LYS 27 CO 0.47 0.59 0.01 0.99 -0.92 0.00 0.00 175.35 176.49 2ubp s THR 28 N -1.20 0.13 -0.24 2.17 2.01 -0.34 -4.97 115.64 113.20 2ubp s THR 28 Ca 0.23 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 2ubp s THR 28 Cb -0.12 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 2ubp s THR 28 CO 0.15 0.13 0.15 -0.89 -0.69 0.00 0.00 174.62 173.46 2ubp s THR 29 N 0.96 5.26 0.12 -0.82 2.01 -1.26 0.53 115.64 122.44 2ubp s THR 29 Ca -0.09 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.09 2ubp s THR 29 Cb -0.13 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2ubp s THR 29 CO -0.02 0.35 -0.10 0.27 -0.69 0.00 0.00 174.62 174.43 2ubp s ILE 30 N 1.08 0.99 -0.09 1.82 -4.36 -0.51 -4.98 121.20 115.15 2ubp s ILE 30 Ca 0.07 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.49 2ubp s ILE 30 Cb -0.14 -1.59 -0.05 0.00 1.25 0.00 0.00 42.46 41.94 2ubp s ILE 30 CO 0.05 -0.67 0.31 -0.13 0.24 0.00 0.00 174.94 174.74 2ubp s ARG 31 N -3.30 3.98 -0.01 0.37 0.52 -1.26 -1.17 118.95 118.08 2ubp s ARG 31 Ca 0.11 0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.53 2ubp s ARG 31 Cb 0.00 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 2ubp s ARG 31 CO -0.01 0.51 -0.10 0.08 0.02 0.00 0.00 175.30 175.80 2ubp s VAL 32 N -0.38 0.81 -0.06 3.52 1.01 0.13 -4.54 120.40 120.88 2ubp s VAL 32 Ca 0.19 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2ubp s VAL 32 Cb -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.56 2ubp s VAL 32 CO 0.08 0.24 -0.15 -0.55 0.00 0.00 0.00 175.10 174.71 2ubp s SER 33 N -0.12 2.01 -0.67 3.32 0.15 0.01 -1.41 113.70 116.99 2ubp s SER 33 Ca 0.02 -0.34 -0.23 0.00 0.70 0.00 0.00 55.95 56.10 2ubp s SER 33 Cb -0.05 -0.79 0.06 0.00 -1.71 0.00 0.00 66.02 63.53 2ubp s SER 33 CO -0.00 0.09 1.01 0.21 1.20 0.00 0.00 173.24 175.75 2ubp s ASN 34 N 0.40 6.18 0.00 5.45 3.84 -0.04 0.11 114.94 130.88 2ubp s ASN 34 Ca -0.11 -0.88 0.31 0.00 0.21 0.00 0.00 52.86 52.38 2ubp s ASN 34 Cb -0.14 -2.44 1.63 0.00 -0.55 0.00 0.00 41.25 39.74 2ubp s ASN 34 CO 0.04 -1.50 2.07 0.35 -2.79 0.00 0.00 177.10 175.28 2ubp n THR 35 N 6.00 0.00 -2.59 -5.21 -2.24 -0.65 -0.89 114.28 108.71 2ubp n THR 35 Ca -0.03 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.46 2ubp n THR 35 Cb 0.46 -0.24 0.09 0.00 -2.10 0.00 0.00 70.33 68.54 2ubp n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ubp s GLY 36 N -2.08 1.77 -0.01 3.38 0.00 -1.26 -4.81 107.32 104.31 2ubp s GLY 36 Ca 0.43 -1.60 0.15 0.00 0.00 0.00 0.00 44.72 43.69 2ubp s GLY 36 CO 0.38 -1.11 1.37 2.09 0.00 0.00 0.00 173.10 175.82 2ubp n ASP 37 N -2.71 3.37 -4.26 1.64 5.68 -1.26 -3.04 116.55 115.98 2ubp n ASP 37 Ca 0.13 -2.07 -0.21 0.00 -0.50 0.00 0.00 54.79 52.14 2ubp n ASP 37 Cb 0.60 -0.34 -0.12 0.00 -1.14 0.00 0.00 41.12 40.13 2ubp n ASP 37 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2ubp s ARG 38 N -1.13 1.06 0.31 0.11 0.52 -1.26 -4.78 118.95 113.78 2ubp s ARG 38 Ca 0.33 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.05 2ubp s ARG 38 Cb 0.18 -1.12 -0.10 0.00 0.52 0.00 0.00 34.95 34.43 2ubp s ARG 38 CO 0.21 0.24 1.36 -1.25 0.02 0.00 0.00 175.30 175.88 2ubp s PRO 39 N -2.30 4.31 -0.14 3.54 0.04 -1.26 -4.32 135.00 134.87 2ubp s PRO 39 Ca 0.07 2.27 0.02 0.00 0.04 0.00 0.00 61.00 63.40 2ubp s PRO 39 Cb -0.07 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.40 2ubp s PRO 39 CO 0.04 -0.28 -0.19 0.42 0.04 0.00 0.00 177.00 177.03 2ubp s ILE 40 N -0.81 1.84 -0.10 0.56 1.01 -0.57 -5.00 121.20 118.12 2ubp s ILE 40 Ca 0.52 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2ubp s ILE 40 Cb -0.41 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2ubp s ILE 40 CO 0.51 0.51 -0.24 -1.58 0.00 0.00 0.00 174.94 174.14 2ubp s GLN 41 N 0.99 3.06 -0.14 2.79 0.74 -1.26 -0.36 119.66 125.47 2ubp s GLN 41 Ca -0.04 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.50 2ubp s GLN 41 Cb -0.15 -2.31 -0.00 0.00 1.10 0.00 0.00 33.01 31.64 2ubp s GLN 41 CO -0.04 0.17 -0.16 0.08 -0.55 0.00 0.00 175.29 174.79 2ubp s VAL 42 N 0.36 2.68 0.71 1.34 1.01 -0.29 -4.94 120.40 121.28 2ubp s VAL 42 Ca -0.18 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 2ubp s VAL 42 Cb -0.18 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2ubp s VAL 42 CO 0.08 0.52 1.08 -0.83 0.00 0.00 0.00 175.10 175.96 2ubp s GLY 43 N 0.66 1.64 0.36 4.51 0.00 -1.26 -0.62 107.32 112.60 2ubp s GLY 43 Ca -0.08 -0.22 0.06 0.00 0.00 0.00 0.00 44.72 44.48 2ubp s GLY 43 CO 0.02 0.13 1.93 1.48 0.00 0.00 0.00 173.10 176.66 2ubp h SER 44 N -0.68 0.68 -0.27 1.64 4.64 -1.47 -3.20 113.55 114.90 2ubp h SER 44 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2ubp h SER 44 Cb 1.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2ubp h SER 44 CO 0.62 0.41 0.00 1.41 -0.87 0.00 0.00 176.83 178.40 2ubp n HIS 45 N -4.50 0.66 -2.93 4.77 8.25 -1.26 -3.30 115.22 116.92 2ubp n HIS 45 Ca 0.13 -0.72 -0.41 0.00 -0.26 0.00 0.00 57.72 56.46 2ubp n HIS 45 Cb 0.30 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2ubp n HIS 45 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2ubp s ILE 46 N -2.03 4.97 -0.34 1.59 2.07 -1.21 -4.98 121.20 121.28 2ubp s ILE 46 Ca 0.32 1.64 -0.39 0.00 -1.41 0.00 0.00 60.65 60.81 2ubp s ILE 46 Cb 0.23 -4.13 -0.15 0.00 0.13 0.00 0.00 42.46 38.55 2ubp s ILE 46 CO 0.11 0.18 1.96 1.57 -1.91 0.00 0.00 174.94 176.85 2ubp n HIS 47 N 4.10 1.77 0.23 3.50 -0.00 -1.26 -4.61 115.22 118.95 2ubp n HIS 47 Ca 0.02 0.48 0.08 0.00 -0.00 0.00 0.00 57.72 58.30 2ubp n HIS 47 Cb 0.51 -2.46 0.56 0.00 -0.00 0.00 0.00 29.99 28.59 2ubp n HIS 47 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 2ubp h PHE 48 N 9.28 0.00 0.00 1.57 3.57 -1.08 -1.56 116.94 128.71 2ubp h PHE 48 Ca -0.34 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2ubp h PHE 48 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2ubp h PHE 48 CO 0.87 0.21 0.00 1.55 -2.23 0.00 0.00 178.31 178.70 2ubp n VAL 49 N -3.94 0.86 -0.57 1.41 3.14 -1.05 -2.94 118.33 115.23 2ubp n VAL 49 Ca -0.02 0.21 0.10 0.00 -2.96 0.00 0.00 64.34 61.67 2ubp n VAL 49 Cb 0.29 -1.05 0.36 0.00 -1.06 0.00 0.00 33.84 32.37 2ubp n VAL 49 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ubp n GLU 50 N -1.94 3.53 -1.45 1.45 1.02 -0.59 -4.96 120.64 117.71 2ubp n GLU 50 Ca 0.03 -2.86 -0.30 0.00 -0.02 0.00 0.00 57.16 54.01 2ubp n GLU 50 Cb 0.22 -1.83 0.10 0.00 -0.02 0.00 0.00 31.44 29.91 2ubp n GLU 50 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ubp s VAL 51 N -1.65 3.05 0.06 2.62 -7.23 -1.15 -4.65 120.40 111.45 2ubp s VAL 51 Ca 0.51 0.34 -0.24 0.00 -1.81 0.00 0.00 61.98 60.79 2ubp s VAL 51 Cb 0.32 -3.00 -0.13 0.00 0.56 0.00 0.00 36.38 34.13 2ubp s VAL 51 CO 0.27 -0.45 0.56 -3.20 -0.31 0.00 0.00 175.10 171.97 2ubp n ASN 52 N -3.53 -0.41 0.00 4.85 2.85 -1.26 -4.80 115.26 112.96 2ubp n ASN 52 Ca 0.07 0.79 0.16 0.00 -0.11 0.00 0.00 54.58 55.49 2ubp n ASN 52 Cb 0.56 -0.64 0.62 0.00 1.24 0.00 0.00 39.78 41.56 2ubp n ASN 52 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2ubp h LYS 53 N 1.42 0.13 0.00 1.20 1.57 -1.90 -1.69 116.57 117.30 2ubp h LYS 53 Ca -0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2ubp h LYS 53 Cb 0.99 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2ubp h LYS 53 CO 0.42 0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.78 2ubp n GLU 54 N -4.43 0.08 -2.53 3.15 -0.58 -1.26 -1.48 120.64 113.58 2ubp n GLU 54 Ca 0.08 0.07 -0.43 0.00 -0.42 0.00 0.00 57.16 56.46 2ubp n GLU 54 Cb 0.47 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.73 2ubp n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ubp s LEU 55 N -3.45 4.02 -0.24 -4.62 1.43 -0.64 -1.63 118.68 113.56 2ubp s LEU 55 Ca 0.13 1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 54.41 2ubp s LEU 55 Cb 0.17 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 2ubp s LEU 55 CO 0.55 -0.85 0.38 -0.22 0.23 0.00 0.00 176.35 176.43 2ubp s LEU 56 N 3.69 4.09 0.14 1.79 2.96 0.12 -4.28 118.68 127.19 2ubp s LEU 56 Ca 0.50 0.38 -0.25 0.00 -0.22 0.00 0.00 54.13 54.54 2ubp s LEU 56 Cb -0.16 -2.45 0.07 0.00 0.50 0.00 0.00 46.19 44.14 2ubp s LEU 56 CO 0.15 -0.13 0.92 0.72 -1.32 0.00 0.00 176.35 176.69 2ubp s PHE 57 N 1.71 -0.17 -0.71 5.38 -0.71 -1.25 -0.81 117.98 121.43 2ubp s PHE 57 Ca 0.16 -0.12 -0.26 0.00 -1.04 0.00 0.00 56.93 55.68 2ubp s PHE 57 Cb -0.15 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 2ubp s PHE 57 CO 0.09 -0.82 1.88 0.34 -1.34 0.00 0.00 175.22 175.36 2ubp s ASP 58 N -2.87 5.25 0.45 1.98 -1.08 -1.26 -4.13 116.67 115.00 2ubp s ASP 58 Ca 0.11 0.00 0.15 0.00 -0.52 0.00 0.00 52.55 52.29 2ubp s ASP 58 Cb -0.02 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.98 2ubp s ASP 58 CO 0.01 -2.48 2.00 0.03 0.52 0.00 0.00 175.17 175.25 2ubp h ARG 59 N 13.74 0.33 -0.37 4.34 2.47 -1.71 -0.97 114.38 132.22 2ubp h ARG 59 Ca -0.15 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.58 2ubp h ARG 59 Cb 1.11 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 2ubp h ARG 59 CO 1.22 0.22 0.25 0.00 0.56 0.00 0.00 179.97 182.22 2ubp h ALA 60 N 1.72 1.86 0.00 0.04 0.00 -1.89 -0.72 119.26 120.28 2ubp h ALA 60 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2ubp h ALA 60 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ubp h ALA 60 CO -0.06 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.67 2ubp n GLU 61 N -4.48 0.01 0.04 0.00 -0.58 -0.37 -2.57 120.64 112.68 2ubp n GLU 61 Ca 0.04 0.11 0.12 0.00 -0.42 0.00 0.00 57.16 57.00 2ubp n GLU 61 Cb 0.15 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.64 2ubp n GLU 61 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ubp n GLY 62 N 0.83 -1.30 3.71 0.62 0.00 -0.28 -4.87 105.19 103.90 2ubp n GLY 62 Ca 0.06 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2ubp n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ubp s ILE 63 N -3.15 3.49 -0.37 -0.61 1.01 -1.06 -2.51 121.20 117.99 2ubp s ILE 63 Ca 0.06 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2ubp s ILE 63 Cb 0.14 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2ubp s ILE 63 CO 0.75 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2ubp n GLY 64 N 3.44 0.65 3.27 6.18 0.00 -1.26 -4.98 105.19 112.49 2ubp n GLY 64 Ca 0.11 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2ubp n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ubp s ARG 65 N -1.80 1.22 0.28 1.61 0.52 -1.13 -0.62 118.95 119.03 2ubp s ARG 65 Ca 0.00 -1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 53.57 2ubp s ARG 65 Cb 0.00 -0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.12 2ubp s ARG 65 CO 0.00 -0.16 0.35 -0.98 0.02 0.00 0.00 175.30 174.54 2ubp s ARG 66 N -3.93 1.61 0.30 3.54 1.70 -0.45 -0.96 118.95 120.76 2ubp s ARG 66 Ca 0.28 -1.64 -0.29 0.00 -0.47 0.00 0.00 55.73 53.61 2ubp s ARG 66 Cb 0.06 0.39 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 2ubp s ARG 66 CO 0.07 -0.63 1.44 -0.51 -1.08 0.00 0.00 175.30 174.59 2ubp s LEU 67 N -3.18 4.38 -1.37 -1.89 1.43 -1.21 -0.20 118.68 116.64 2ubp s LEU 67 Ca 0.32 2.79 -0.08 0.00 -1.03 0.00 0.00 54.13 56.13 2ubp s LEU 67 Cb 0.02 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.69 2ubp s LEU 67 CO 0.16 -0.73 2.36 -3.20 0.23 0.00 0.00 176.35 175.18 2ubp n ASN 68 N 1.60 7.25 -4.22 2.29 5.15 -0.38 -4.55 115.26 122.40 2ubp n ASN 68 Ca 0.04 -3.02 -0.14 0.00 -0.60 0.00 0.00 54.58 50.86 2ubp n ASN 68 Cb 0.40 -1.44 -0.10 0.00 -0.53 0.00 0.00 39.78 38.11 2ubp n ASN 68 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2ubp s ILE 69 N 0.02 1.07 0.30 -1.44 -4.36 -1.26 -4.91 121.20 110.62 2ubp s ILE 69 Ca 0.53 -1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 58.75 2ubp s ILE 69 Cb 0.16 -1.65 -0.13 0.00 1.25 0.00 0.00 42.46 42.09 2ubp s ILE 69 CO -0.07 -0.67 1.19 -2.65 0.24 0.00 0.00 174.94 172.99 2ubp n PRO 70 N 0.12 1.79 -1.66 0.37 -0.02 -1.26 -4.78 135.00 129.56 2ubp n PRO 70 Ca -0.13 0.63 -0.52 0.00 -2.02 0.00 0.00 63.50 61.46 2ubp n PRO 70 Cb 0.59 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 2ubp n PRO 70 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ubp n SER 71 N 1.14 2.50 0.00 2.55 2.88 -1.26 -1.81 113.62 119.61 2ubp n SER 71 Ca 0.08 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2ubp n SER 71 Cb 0.34 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2ubp n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ubp n GLY 72 N 3.64 0.75 3.99 0.46 0.00 -1.26 -5.06 105.19 107.71 2ubp n GLY 72 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 2ubp n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ubp s THR 73 N -2.36 2.43 0.05 2.61 -4.23 -0.75 -4.90 115.64 108.50 2ubp s THR 73 Ca 0.00 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 2ubp s THR 73 Cb 0.00 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2ubp s THR 73 CO 0.00 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.16 2ubp s ALA 74 N -2.55 0.06 -0.13 3.99 0.00 -1.26 -1.20 121.76 120.67 2ubp s ALA 74 Ca 0.54 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 2ubp s ALA 74 Cb -0.06 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 2ubp s ALA 74 CO 0.33 -0.37 0.10 0.00 0.00 0.00 0.00 175.76 175.81 2ubp s ALA 75 N -3.25 3.65 -0.11 0.00 0.00 0.21 -4.87 121.76 117.39 2ubp s ALA 75 Ca 0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2ubp s ALA 75 Cb 0.03 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2ubp s ALA 75 CO -0.08 0.49 -0.05 0.50 0.00 0.00 0.00 175.76 176.62 2ubp s ARG 76 N -0.61 3.21 -0.29 0.00 3.52 -1.26 -1.13 118.95 122.38 2ubp s ARG 76 Ca 0.12 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 2ubp s ARG 76 Cb -0.12 -2.75 0.07 0.00 -1.56 0.00 0.00 34.95 30.59 2ubp s ARG 76 CO 0.02 0.46 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.88 2ubp s PHE 77 N -0.25 3.43 0.90 5.12 0.40 0.51 -5.01 117.98 123.08 2ubp s PHE 77 Ca 0.04 -2.48 -0.11 0.00 -0.60 0.00 0.00 56.93 53.78 2ubp s PHE 77 Cb -0.13 -2.30 0.14 0.00 0.51 0.00 0.00 43.02 41.24 2ubp s PHE 77 CO 0.02 -0.90 1.11 -1.21 0.70 0.00 0.00 175.22 174.95 2ubp s GLU 78 N 1.06 1.14 -0.05 0.44 0.41 -1.26 -1.52 118.70 118.92 2ubp s GLU 78 Ca -0.02 1.25 -0.36 0.00 -0.41 0.00 0.00 54.97 55.43 2ubp s GLU 78 Cb -0.20 -1.76 -0.14 0.00 -1.78 0.00 0.00 34.13 30.25 2ubp s GLU 78 CO -0.05 -2.45 1.68 -2.30 -0.49 0.00 0.00 175.26 171.65 2ubp n PRO 79 N -4.08 1.70 -0.78 0.39 -0.02 -1.26 -0.93 135.00 130.01 2ubp n PRO 79 Ca 0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2ubp n PRO 79 Cb 0.53 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2ubp n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ubp n GLY 80 N 3.78 1.24 3.73 -1.23 0.00 -0.07 -5.00 105.19 107.65 2ubp n GLY 80 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2ubp n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ubp s GLU 81 N -0.07 4.60 -0.09 1.61 2.12 -0.11 -4.72 118.70 122.05 2ubp s GLU 81 Ca 0.00 1.67 0.04 0.00 0.36 0.00 0.00 54.97 57.04 2ubp s GLU 81 Cb 0.00 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 2ubp s GLU 81 CO 0.00 0.08 -0.22 -2.00 -0.54 0.00 0.00 175.26 172.58 2ubp s GLU 82 N -0.19 2.88 0.20 4.30 2.12 -1.26 -0.86 118.70 125.88 2ubp s GLU 82 Ca 0.50 -0.84 -0.17 0.00 0.36 0.00 0.00 54.97 54.82 2ubp s GLU 82 Cb -0.28 -2.32 0.02 0.00 0.26 0.00 0.00 34.13 31.82 2ubp s GLU 82 CO 0.33 0.30 0.52 0.00 -0.54 0.00 0.00 175.26 175.87 2ubp s MET 83 N 0.07 1.39 0.15 4.30 0.23 -0.50 -4.98 119.30 119.95 2ubp s MET 83 Ca -0.09 -0.90 -0.17 0.00 -1.03 0.00 0.00 55.69 53.50 2ubp s MET 83 Cb -0.15 0.52 -0.07 0.00 -1.53 0.00 0.00 34.83 33.59 2ubp s MET 83 CO 0.06 -0.59 0.60 -1.21 -2.03 0.00 0.00 175.02 171.85 2ubp s GLU 84 N -3.88 4.12 0.19 3.16 2.02 -1.26 -0.69 118.70 122.35 2ubp s GLU 84 Ca 0.10 0.66 0.07 0.00 0.02 0.00 0.00 54.97 55.83 2ubp s GLU 84 Cb -0.01 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.17 2ubp s GLU 84 CO -0.02 0.50 -0.14 0.14 0.02 0.00 0.00 175.26 175.77 2ubp s VAL 85 N -1.38 1.63 -0.18 2.63 -7.23 -0.31 -4.97 120.40 110.59 2ubp s VAL 85 Ca 0.37 -2.16 -0.06 0.00 -1.81 0.00 0.00 61.98 58.32 2ubp s VAL 85 Cb -0.17 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 2ubp s VAL 85 CO 0.20 -0.61 0.01 -0.70 -0.31 0.00 0.00 175.10 173.69 2ubp s GLU 86 N -3.61 3.78 0.17 4.82 2.12 -1.26 -1.42 118.70 123.30 2ubp s GLU 86 Ca 0.21 -0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2ubp s GLU 86 Cb -0.00 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2ubp s GLU 86 CO 0.06 0.19 0.28 -0.51 -0.54 0.00 0.00 175.26 174.74 2ubp s LEU 87 N 0.53 4.28 0.37 2.70 1.43 0.19 -1.25 118.68 126.93 2ubp s LEU 87 Ca 0.00 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2ubp s LEU 87 Cb -0.14 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 2ubp s LEU 87 CO 0.02 0.03 0.04 0.28 0.23 0.00 0.00 176.35 176.95 2ubp s THR 88 N -1.79 1.43 0.18 5.49 -1.32 0.72 -1.19 115.64 119.16 2ubp s THR 88 Ca 0.34 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.57 2ubp s THR 88 Cb -0.11 -2.81 -0.08 0.00 -1.51 0.00 0.00 72.50 68.00 2ubp s THR 88 CO 0.28 0.00 0.78 -1.61 -2.21 0.00 0.00 174.62 171.86 2ubp s GLU 89 N -3.82 4.54 0.88 7.08 0.41 -1.20 -1.34 118.70 125.25 2ubp s GLU 89 Ca 0.34 1.14 -0.11 0.00 -0.41 0.00 0.00 54.97 55.93 2ubp s GLU 89 Cb 0.08 -3.20 0.11 0.00 -1.78 0.00 0.00 34.13 29.35 2ubp s GLU 89 CO 0.16 0.54 1.09 1.28 -0.49 0.00 0.00 175.26 177.83 2ubp n LEU 90 N 1.45 3.32 0.00 1.80 4.77 0.21 -4.80 117.00 123.75 2ubp n LEU 90 Ca -0.05 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2ubp n LEU 90 Cb 0.49 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2ubp n LEU 90 CO 0.46 -2.16 0.00 0.61 -1.33 0.00 0.00 177.39 174.97 2ubp n GLY 91 N 0.50 5.15 7.00 -0.72 0.00 -1.26 -4.83 105.19 111.02 2ubp n GLY 91 Ca 0.12 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2ubp n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ubp n GLY 92 N 4.14 2.93 0.00 -0.02 0.00 -1.26 -1.50 105.19 109.48 2ubp n GLY 92 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.74 2ubp n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ubp n ASN 93 N 0.86 0.00 -3.74 1.61 3.02 -1.26 -4.91 115.26 110.85 2ubp n ASN 93 Ca 0.00 0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.51 2ubp n ASN 93 Cb 0.00 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2ubp n ASN 93 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2ubp n ARG 94 N -1.38 -2.19 -4.39 3.52 1.74 -0.56 -4.90 116.66 108.50 2ubp n ARG 94 Ca 0.06 0.47 -0.20 0.00 -0.77 0.00 0.00 57.85 57.42 2ubp n ARG 94 Cb 0.16 -4.38 -0.14 0.00 -1.02 0.00 0.00 32.46 27.08 2ubp n ARG 94 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ubp s GLU 95 N -6.09 0.91 -0.04 5.56 2.02 -1.26 -1.92 118.70 117.88 2ubp s GLU 95 Ca 0.30 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.67 2ubp s GLU 95 Cb -0.11 -0.89 0.02 0.00 0.10 0.00 0.00 34.13 33.25 2ubp s GLU 95 CO 0.86 0.23 -0.06 0.08 0.02 0.00 0.00 175.26 176.39 2ubp s VAL 96 N -0.67 0.59 0.05 2.63 1.01 -0.41 -4.94 120.40 118.66 2ubp s VAL 96 Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2ubp s VAL 96 Cb -0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2ubp s VAL 96 CO 0.01 0.22 -0.21 -0.36 0.00 0.00 0.00 175.10 174.76 2ubp s PHE 97 N 0.70 1.80 0.00 5.22 0.08 -1.26 -0.89 117.98 123.63 2ubp s PHE 97 Ca -0.10 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2ubp s PHE 97 Cb -0.13 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 2ubp s PHE 97 CO 0.00 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.64 2ubp n GLY 98 N 1.74 1.36 7.00 4.36 0.00 -1.26 -4.90 105.19 113.49 2ubp n GLY 98 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2ubp n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ubp n ILE 99 N 0.00 0.00 0.11 -0.61 5.41 -1.26 -0.68 119.36 122.32 2ubp n ILE 99 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 2ubp n ILE 99 Cb 0.00 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.11 2ubp n ILE 99 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2ubp n SER 100 N 8.53 3.07 -3.60 4.38 7.64 -1.26 -4.97 113.62 127.41 2ubp n SER 100 Ca 0.00 -1.90 -0.24 0.00 1.01 0.00 0.00 58.87 57.75 2ubp n SER 100 Cb 0.00 -0.22 0.08 0.00 -1.01 0.00 0.00 64.21 63.05 2ubp n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ubp n ASP 101 N 1.05 -5.67 -0.00 6.43 8.00 0.14 -4.92 116.55 121.57 2ubp n ASP 101 Ca 0.15 -0.57 0.11 0.00 0.71 0.00 0.00 54.79 55.19 2ubp n ASP 101 Cb 0.49 -4.95 -0.15 0.00 -0.02 0.00 0.00 41.12 36.49 2ubp n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ubp n LEU 102 N -4.87 0.17 0.01 0.64 4.77 -1.26 -4.73 117.00 111.72 2ubp n LEU 102 Ca -0.03 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.89 2ubp n LEU 102 Cb 0.57 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 2ubp n LEU 102 CO 0.65 0.02 -0.12 0.41 -1.33 0.00 0.00 177.39 177.02 2ubp n THR 103 N -2.18 0.94 -3.98 -5.08 -1.04 -1.26 -4.24 114.28 97.43 2ubp n THR 103 Ca -0.03 0.28 -0.39 0.00 -2.04 0.00 0.00 64.05 61.87 2ubp n THR 103 Cb 0.54 -1.60 0.01 0.00 -1.82 0.00 0.00 70.33 67.46 2ubp n THR 103 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2ubp n ASN 104 N -3.39 -4.39 0.00 8.00 3.02 -0.07 -4.74 115.26 113.69 2ubp n ASN 104 Ca -0.03 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 2ubp n ASN 104 Cb 0.09 -1.68 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 2ubp n ASN 104 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ubp n GLY 105 N -1.95 0.23 3.76 7.41 0.00 -0.10 -4.96 105.19 109.59 2ubp n GLY 105 Ca -0.18 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 2ubp n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ubp s SER 106 N -4.00 5.79 0.00 1.61 0.15 -1.26 -1.28 113.70 114.71 2ubp s SER 106 Ca 0.00 2.53 0.30 0.00 0.70 0.00 0.00 55.95 59.48 2ubp s SER 106 Cb 0.00 -2.62 1.57 0.00 -1.71 0.00 0.00 66.02 63.26 2ubp s SER 106 CO 0.00 -1.19 2.06 1.33 1.20 0.00 0.00 173.24 176.64 2ubp n VAL 107 N -0.68 0.00 0.26 4.45 0.24 -0.81 -3.07 118.33 118.73 2ubp n VAL 107 Ca 0.08 -0.01 0.15 0.00 -2.04 0.00 0.00 64.34 62.52 2ubp n VAL 107 Cb 0.46 -0.42 0.66 0.00 -1.47 0.00 0.00 33.84 33.07 2ubp n VAL 107 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2ubp h ASP 108 N 0.12 0.00 0.00 -1.34 3.32 -1.91 -3.37 116.42 113.25 2ubp h ASP 108 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 2ubp h ASP 108 Cb 0.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2ubp h ASP 108 CO 0.00 0.09 3.29 0.59 -1.72 0.00 0.00 179.24 181.48 2ubp n ASN 109 N -3.26 4.88 -0.08 6.45 3.02 -1.17 -4.75 115.26 120.35 2ubp n ASN 109 Ca -0.00 -2.78 -0.10 0.00 -0.03 0.00 0.00 54.58 51.67 2ubp n ASN 109 Cb 0.32 -1.64 0.05 0.00 -0.61 0.00 0.00 39.78 37.90 2ubp n ASN 109 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2ubp h LYS 110 N 5.80 0.78 -0.38 3.52 1.57 -1.90 -1.60 116.57 124.36 2ubp h LYS 110 Ca 0.63 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 2ubp h LYS 110 Cb 0.57 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2ubp h LYS 110 CO 1.87 1.00 -0.21 1.49 -0.57 0.00 0.00 179.45 183.04 2ubp h GLU 111 N 0.65 0.74 -0.28 3.15 4.81 -1.96 0.25 114.58 121.95 2ubp h GLU 111 Ca 0.07 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 58.87 2ubp h GLU 111 Cb 0.89 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 2ubp h GLU 111 CO 0.08 0.89 -0.37 1.25 -0.73 0.00 0.00 179.01 180.13 2ubp h LEU 112 N 0.65 0.81 -0.54 1.64 5.85 -1.85 -0.11 115.31 121.77 2ubp h LEU 112 Ca 0.09 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2ubp h LEU 112 Cb 0.70 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2ubp h LEU 112 CO 0.05 1.15 0.27 0.40 -0.34 0.00 0.00 178.44 179.97 2ubp h ILE 113 N 0.49 1.20 -0.25 4.05 2.04 -1.09 -1.27 117.51 122.67 2ubp h ILE 113 Ca 0.03 -0.54 -0.13 0.00 1.00 0.00 0.00 64.86 65.22 2ubp h ILE 113 Cb 0.96 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2ubp h ILE 113 CO 0.09 0.22 -0.39 -0.07 0.00 0.00 0.00 178.15 177.99 2ubp h LEU 114 N 0.72 0.60 -0.31 1.44 3.38 -0.90 -0.04 115.31 120.21 2ubp h LEU 114 Ca 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ubp h LEU 114 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2ubp h LEU 114 CO -0.03 0.93 0.20 -0.61 0.09 0.00 0.00 178.44 179.02 2ubp h GLN 115 N 0.47 0.42 -0.46 1.13 4.15 -0.75 0.73 115.11 120.80 2ubp h GLN 115 Ca 0.04 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 2ubp h GLN 115 Cb 0.89 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 2ubp h GLN 115 CO 0.08 0.30 0.09 0.00 -1.93 0.00 0.00 178.83 177.37 2ubp h ARG 116 N 0.41 0.74 -0.42 1.69 3.08 -0.79 -2.08 114.38 117.02 2ubp h ARG 116 Ca 0.11 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.01 2ubp h ARG 116 Cb -0.02 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2ubp h ARG 116 CO -0.02 0.75 0.19 0.00 -1.07 0.00 0.00 179.97 179.82 2ubp h ALA 117 N 0.96 0.52 -0.40 0.04 0.00 -0.78 -1.93 119.26 117.67 2ubp h ALA 117 Ca 0.14 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2ubp h ALA 117 Cb 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2ubp h ALA 117 CO 0.01 -0.17 0.10 -0.22 0.00 0.00 0.00 179.25 178.96 2ubp h LYS 118 N 0.39 0.64 -0.36 0.00 3.64 -0.79 -0.65 116.57 119.45 2ubp h LYS 118 Ca 0.18 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2ubp h LYS 118 Cb 0.11 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2ubp h LYS 118 CO -0.15 0.66 0.13 1.49 -2.27 0.00 0.00 179.45 179.31 2ubp h GLU 119 N 0.50 0.51 -0.10 1.90 4.57 -1.27 -1.94 114.58 118.76 2ubp h GLU 119 Ca 0.13 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2ubp h GLU 119 Cb 0.31 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2ubp h GLU 119 CO 0.00 0.44 0.00 1.28 -1.18 0.00 0.00 179.01 179.55 2ubp n LEU 120 N -4.38 1.76 -0.17 1.64 4.77 -0.74 -4.97 117.00 114.92 2ubp n LEU 120 Ca 0.02 -0.66 -0.01 0.00 -0.03 0.00 0.00 56.01 55.33 2ubp n LEU 120 Cb 0.15 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2ubp n LEU 120 CO 0.37 0.33 -0.01 0.61 -1.33 0.00 0.00 177.39 177.36 2ubp n GLY 121 N 1.19 0.44 3.59 -0.72 0.00 -0.48 -5.02 105.19 104.19 2ubp n GLY 121 Ca 0.18 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2ubp n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ubp s TYR 122 N -2.21 2.66 0.40 1.61 1.51 -0.37 -4.80 117.35 116.15 2ubp s TYR 122 Ca 0.00 0.49 -0.26 0.00 -1.01 0.00 0.00 57.07 56.29 2ubp s TYR 122 Cb -0.00 -4.50 -0.11 0.00 -0.11 0.00 0.00 41.96 37.24 2ubp s TYR 122 CO 0.00 -1.51 1.28 1.63 -1.11 0.00 0.00 175.55 175.85 2ubp n LYS 123 N 8.30 2.01 0.00 -0.62 5.02 -0.55 -4.15 118.16 128.17 2ubp n LYS 123 Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 2ubp n LYS 123 Cb 0.49 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 2ubp n LYS 123 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ubp n GLY 124 N 0.79 1.16 3.70 0.72 0.00 -1.26 -3.82 105.19 106.48 2ubp n GLY 124 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2ubp n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ubp s VAL 125 N -2.00 4.90 -0.38 1.61 1.01 -1.26 -2.14 120.40 122.14 2ubp s VAL 125 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2ubp s VAL 125 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2ubp s VAL 125 CO 0.00 0.13 0.09 1.21 0.00 0.00 0.00 175.10 176.53