#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s PHE 12 N 0.00 3.30 0.14 2.13 -0.71 -1.26 -4.93 117.98 116.66 2wh2 s PHE 12 Ca 0.00 -1.30 -0.17 0.00 -1.04 0.00 0.00 56.93 54.43 2wh2 s PHE 12 Cb 0.00 -3.24 -0.00 0.00 -1.21 0.00 0.00 43.02 38.57 2wh2 s PHE 12 CO 0.00 -0.87 1.77 0.00 -1.34 0.00 0.00 175.22 174.78 2wh2 h ARG 13 N 8.62 0.51 0.00 1.99 -0.00 -2.04 -3.48 114.38 119.98 2wh2 h ARG 13 Ca -0.26 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.17 2wh2 h ARG 13 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.96 2wh2 h ARG 13 CO 0.86 0.38 0.00 0.28 0.00 0.00 0.00 179.97 181.50 2wh2 n VAL 14 N -4.79 0.00 -3.95 2.04 0.31 -1.26 -4.87 118.33 105.81 2wh2 n VAL 14 Ca -0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 2wh2 n VAL 14 Cb 0.06 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.98 2wh2 n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh2 n ARG 15 N 8.27 -4.05 0.08 5.55 5.12 -1.26 -4.76 116.66 125.61 2wh2 n ARG 15 Ca 0.00 0.48 -0.21 0.00 -1.93 0.00 0.00 57.85 56.19 2wh2 n ARG 15 Cb 0.00 -4.97 -0.15 0.00 -1.16 0.00 0.00 32.46 26.19 2wh2 n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wh2 h ASN 16 N -1.83 0.56 0.00 0.55 4.21 -1.89 -3.42 115.58 113.75 2wh2 h ASN 16 Ca -0.61 -0.79 0.00 0.00 1.21 0.00 0.00 56.30 56.11 2wh2 h ASN 16 Cb 1.37 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2wh2 h ASN 16 CO 0.65 1.66 0.00 -2.11 -1.29 0.00 0.00 177.43 176.34 2wh2 n ARG 17 N -3.55 1.25 0.00 0.81 1.85 -1.26 -3.26 116.66 112.50 2wh2 n ARG 17 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 2wh2 n ARG 17 Cb 1.07 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.48 2wh2 n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2wh2 n ILE 18 N -0.41 0.00 0.21 8.89 2.08 -1.26 -4.29 119.36 124.58 2wh2 n ILE 18 Ca 0.00 0.00 0.03 0.00 0.56 0.00 0.00 62.75 63.34 2wh2 n ILE 18 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 38.93 2wh2 n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2wh2 n LYS 19 N -1.78 0.38 -2.53 0.38 4.81 -1.20 -4.92 118.16 113.29 2wh2 n LYS 19 Ca 0.00 -1.03 -0.41 0.00 -0.87 0.00 0.00 58.31 56.00 2wh2 n LYS 19 Cb 0.00 -1.13 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 2wh2 n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wh2 s ARG 20 N -0.61 3.33 -0.08 1.64 1.81 -1.26 -4.73 118.95 119.05 2wh2 s ARG 20 Ca 0.08 -0.59 0.17 0.00 -1.72 0.00 0.00 55.73 53.68 2wh2 s ARG 20 Cb 0.06 -4.70 0.36 0.00 -0.45 0.00 0.00 34.95 30.21 2wh2 s ARG 20 CO 0.08 -2.22 1.16 2.41 -0.68 0.00 0.00 175.30 176.06 2wh2 n THR 21 N 6.65 0.89 -0.92 0.02 -1.04 -1.26 -4.69 114.28 113.92 2wh2 n THR 21 Ca 0.17 -1.71 0.09 0.00 -2.04 0.00 0.00 64.05 60.55 2wh2 n THR 21 Cb 0.50 0.42 0.15 0.00 -1.82 0.00 0.00 70.33 69.58 2wh2 n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wh2 n GLY 22 N -0.27 4.45 1.16 3.41 0.00 -1.26 -5.10 105.19 107.58 2wh2 n GLY 22 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 45.15 2wh2 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 n ARG 23 N -1.08 -1.47 -2.37 1.61 1.74 -1.26 -4.77 116.66 109.05 2wh2 n ARG 23 Ca 0.15 1.15 -0.00 0.00 -0.77 0.00 0.00 57.85 58.38 2wh2 n ARG 23 Cb 0.65 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2wh2 n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wh2 n LEU 24 N -2.43 -6.33 -4.70 0.55 7.99 -1.26 -4.18 117.00 106.63 2wh2 n LEU 24 Ca -0.01 1.02 -0.39 0.00 -0.01 0.00 0.00 56.01 56.62 2wh2 n LEU 24 Cb 0.19 -2.69 -0.05 0.00 -0.11 0.00 0.00 43.42 40.75 2wh2 n LEU 24 CO 0.00 -2.30 0.36 -0.13 -1.51 0.00 0.00 177.39 173.81 2wh2 s ARG 25 N -1.20 4.37 -1.00 3.23 0.52 0.17 -0.73 118.95 124.31 2wh2 s ARG 25 Ca 0.00 0.75 -0.03 0.00 -0.52 0.00 0.00 55.73 55.94 2wh2 s ARG 25 Cb -0.00 -3.48 0.28 0.00 0.52 0.00 0.00 34.95 32.27 2wh2 s ARG 25 CO 0.56 0.00 1.20 -0.11 0.02 0.00 0.00 175.30 176.98 2wh2 n LEU 26 N 4.08 5.54 -4.77 2.53 0.00 0.12 0.75 117.00 125.24 2wh2 n LEU 26 Ca -0.02 -5.21 -0.38 0.00 0.00 0.00 0.00 56.01 50.40 2wh2 n LEU 26 Cb 0.51 -1.19 -0.03 0.00 0.00 0.00 0.00 43.42 42.70 2wh2 n LEU 26 CO 0.46 1.67 0.78 -0.55 0.00 0.00 0.00 177.39 179.74 2wh2 s SER 27 N -1.08 6.79 0.11 1.96 0.15 0.55 -2.77 113.70 119.41 2wh2 s SER 27 Ca 0.32 2.17 0.10 0.00 0.70 0.00 0.00 55.95 59.24 2wh2 s SER 27 Cb 0.02 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2wh2 s SER 27 CO 0.02 -0.48 -0.26 -0.69 1.20 0.00 0.00 173.24 173.04 2wh2 s VAL 28 N -1.49 2.12 -0.05 4.45 1.01 -1.26 -0.93 120.40 124.25 2wh2 s VAL 28 Ca 0.55 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2wh2 s VAL 28 Cb -0.26 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2wh2 s VAL 28 CO 0.33 0.11 -0.03 0.12 0.00 0.00 0.00 175.10 175.64 2wh2 s PHE 29 N -1.03 0.67 -0.12 5.22 5.99 -0.86 -4.20 117.98 123.65 2wh2 s PHE 29 Ca 0.12 -0.17 0.03 0.00 0.00 0.00 0.00 56.93 56.91 2wh2 s PHE 29 Cb -0.10 -0.66 0.01 0.00 0.00 0.00 0.00 43.02 42.26 2wh2 s PHE 29 CO 0.05 -0.22 -0.23 0.50 -0.00 0.00 0.00 175.22 175.33 2wh2 s ARG 30 N 1.18 3.02 0.34 10.12 3.52 -1.26 -0.54 118.95 135.33 2wh2 s ARG 30 Ca -0.07 -0.86 0.07 0.00 -0.13 0.00 0.00 55.73 54.74 2wh2 s ARG 30 Cb -0.14 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.85 2wh2 s ARG 30 CO -0.02 0.06 0.32 0.45 -0.81 0.00 0.00 175.30 175.30 2wh2 s SER 31 N 0.63 5.38 0.43 -2.12 0.15 -1.08 -4.99 113.70 112.10 2wh2 s SER 31 Ca -0.12 -0.46 0.12 0.00 0.70 0.00 0.00 55.95 56.20 2wh2 s SER 31 Cb -0.16 -1.00 0.95 0.00 -1.71 0.00 0.00 66.02 64.09 2wh2 s SER 31 CO 0.02 -0.37 1.99 -0.07 1.20 0.00 0.00 173.24 176.01 2wh2 h LEU 32 N 1.20 0.11 0.00 3.45 3.38 -2.05 -3.28 115.31 118.11 2wh2 h LEU 32 Ca -0.45 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.32 2wh2 h LEU 32 Cb 1.25 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2wh2 h LEU 32 CO 0.58 0.24 -1.13 0.29 0.09 0.00 0.00 178.44 178.51 2wh2 n LYS 33 N -4.34 0.54 0.00 1.13 4.76 -1.26 -5.07 118.16 113.92 2wh2 n LYS 33 Ca -0.02 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2wh2 n LYS 33 Cb 0.22 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 2wh2 n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wh2 n HIS 34 N -4.47 0.00 -3.64 2.13 8.25 -1.24 -4.98 115.22 111.27 2wh2 n HIS 34 Ca -0.27 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.16 2wh2 n HIS 34 Cb 0.58 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.63 2wh2 n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2wh2 s ILE 35 N 1.74 -0.01 0.29 1.59 2.07 -1.26 -2.63 121.20 122.98 2wh2 s ILE 35 Ca 0.00 0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.35 2wh2 s ILE 35 Cb 0.00 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 2wh2 s ILE 35 CO 0.00 0.00 -0.17 -0.31 -1.91 0.00 0.00 174.94 172.55 2wh2 s TYR 36 N 1.46 2.34 -0.07 3.50 1.51 0.30 -0.64 117.35 125.74 2wh2 s TYR 36 Ca -0.09 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2wh2 s TYR 36 Cb -0.04 -1.06 0.04 0.00 -0.11 0.00 0.00 41.96 40.78 2wh2 s TYR 36 CO -0.16 0.69 0.15 0.00 -1.11 0.00 0.00 175.55 175.12 2wh2 s ALA 37 N -2.51 -0.30 -0.06 3.71 0.00 -1.25 -2.02 121.76 119.34 2wh2 s ALA 37 Ca 0.30 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.95 2wh2 s ALA 37 Cb -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2wh2 s ALA 37 CO 0.16 -0.15 -0.10 -0.65 0.00 0.00 0.00 175.76 175.02 2wh2 s GLN 38 N 1.04 1.40 -0.51 0.00 -0.21 -0.11 -1.95 119.66 119.33 2wh2 s GLN 38 Ca -0.08 -0.32 -0.17 0.00 0.02 0.00 0.00 55.36 54.81 2wh2 s GLN 38 Cb -0.10 -1.21 0.09 0.00 1.00 0.00 0.00 33.01 32.79 2wh2 s GLN 38 CO -0.05 0.01 0.51 0.42 -2.12 0.00 0.00 175.29 174.05 2wh2 s ILE 39 N 0.68 5.10 -0.12 1.08 -1.09 -0.97 -0.33 121.20 125.55 2wh2 s ILE 39 Ca -0.13 -1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 57.22 2wh2 s ILE 39 Cb -0.15 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 2wh2 s ILE 39 CO 0.03 -0.77 -0.00 -0.63 -1.23 0.00 0.00 174.94 172.33 2wh2 s ILE 40 N 1.97 4.25 -0.71 2.92 1.01 0.23 -1.80 121.20 129.07 2wh2 s ILE 40 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 2wh2 s ILE 40 Cb -0.25 -2.82 0.19 0.00 0.01 0.00 0.00 42.46 39.59 2wh2 s ILE 40 CO 0.07 0.56 0.60 -0.62 0.00 0.00 0.00 174.94 175.54 2wh2 s ASP 41 N -0.38 6.09 0.70 3.58 2.15 -0.41 -0.66 116.67 127.74 2wh2 s ASP 41 Ca 0.07 -2.65 0.00 0.00 0.43 0.00 0.00 52.55 50.40 2wh2 s ASP 41 Cb -0.12 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2wh2 s ASP 41 CO 0.02 -0.52 0.00 0.47 -0.17 0.00 0.00 175.17 174.97 2wh2 n ASP 42 N 3.93 -1.10 0.00 -0.34 9.92 -1.26 -2.23 116.55 125.46 2wh2 n ASP 42 Ca 0.09 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2wh2 n ASP 42 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2wh2 n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wh2 n GLU 43 N -1.25 -0.95 0.00 -1.24 -0.58 -1.26 -4.04 120.64 111.31 2wh2 n GLU 43 Ca 0.00 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2wh2 n GLU 43 Cb 0.00 -4.57 0.00 0.00 -0.57 0.00 0.00 31.44 26.30 2wh2 n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wh2 n LYS 44 N -0.62 0.85 -3.31 3.49 5.02 -1.19 -5.08 118.16 117.32 2wh2 n LYS 44 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2wh2 n LYS 44 Cb 0.24 -0.08 0.04 0.00 -0.02 0.00 0.00 35.03 35.20 2wh2 n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh2 n GLY 45 N -0.04 -1.17 3.42 0.72 0.00 -0.95 -5.03 105.19 102.14 2wh2 n GLY 45 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 2wh2 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh2 s VAL 46 N -3.25 0.02 -0.29 1.61 1.01 -1.20 -5.04 120.40 113.25 2wh2 s VAL 46 Ca 0.29 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2wh2 s VAL 46 Cb -0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2wh2 s VAL 46 CO 0.78 -0.08 0.17 -0.89 0.00 0.00 0.00 175.10 175.08 2wh2 s THR 47 N -0.80 4.94 -0.09 3.92 2.01 -1.26 -1.29 115.64 123.06 2wh2 s THR 47 Ca -0.09 -0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 2wh2 s THR 47 Cb -0.03 -3.41 -0.15 0.00 0.01 0.00 0.00 72.50 68.92 2wh2 s THR 47 CO 0.06 0.18 0.63 -0.07 -0.69 0.00 0.00 174.62 174.73 2wh2 h LEU 48 N 8.36 -0.10 -9.14 4.42 4.07 -1.74 -3.48 115.31 117.70 2wh2 h LEU 48 Ca -0.34 -0.44 -0.48 0.00 0.08 0.00 0.00 57.88 56.70 2wh2 h LEU 48 Cb 1.17 0.02 -0.14 0.00 1.08 0.00 0.00 40.66 42.80 2wh2 h LEU 48 CO 0.59 0.56 -0.66 -0.69 -1.08 0.00 0.00 178.44 177.16 2wh2 s VAL 49 N -2.66 1.52 -0.16 1.22 1.01 -1.25 -5.04 120.40 115.05 2wh2 s VAL 49 Ca -0.11 -2.09 -0.29 0.00 0.00 0.00 0.00 61.98 59.49 2wh2 s VAL 49 Cb -0.01 -2.50 0.10 0.00 0.00 0.00 0.00 36.38 33.97 2wh2 s VAL 49 CO 0.42 -0.25 0.86 -0.94 0.00 0.00 0.00 175.10 175.18 2wh2 s SER 50 N -3.44 -0.54 -0.45 3.32 1.04 -1.26 -2.29 113.70 110.07 2wh2 s SER 50 Ca 0.30 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.54 2wh2 s SER 50 Cb 0.05 0.67 0.18 0.00 0.10 0.00 0.00 66.02 67.01 2wh2 s SER 50 CO 0.12 -0.38 0.50 0.00 0.98 0.00 0.00 173.24 174.46 2wh2 s ALA 51 N -0.66 -0.11 0.39 5.32 0.00 -0.82 -4.88 121.76 121.00 2wh2 s ALA 51 Ca -0.04 -1.56 -0.26 0.00 0.00 0.00 0.00 51.96 50.10 2wh2 s ALA 51 Cb -0.02 -2.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 2wh2 s ALA 51 CO 0.03 -2.09 1.26 -1.54 0.00 0.00 0.00 175.76 173.42 2wh2 s SER 52 N 0.46 6.46 0.00 0.00 1.04 -1.26 -3.81 113.70 116.59 2wh2 s SER 52 Ca 0.31 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.30 2wh2 s SER 52 Cb 0.01 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2wh2 s SER 52 CO -0.13 -0.74 0.00 -0.24 0.98 0.00 0.00 173.24 173.11 2wh2 n SER 53 N 0.24 0.00 0.21 7.02 2.88 0.19 -3.75 113.62 120.40 2wh2 n SER 53 Ca 0.03 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.67 2wh2 n SER 53 Cb 0.44 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.44 2wh2 n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2wh2 h LEU 54 N 0.00 0.00 -0.96 2.46 -0.00 -1.82 0.20 115.31 115.19 2wh2 h LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2wh2 h LEU 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2wh2 h LEU 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2wh2 n ALA 55 N -1.70 2.37 -2.04 1.53 0.00 -1.26 -0.41 120.51 119.01 2wh2 n ALA 55 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wh2 n ALA 55 Cb 0.26 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 2wh2 n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh2 n LEU 56 N 0.02 -0.01 0.00 0.00 0.00 0.69 -4.87 117.00 112.83 2wh2 n LEU 56 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 56.01 54.85 2wh2 n LEU 56 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.64 2wh2 n LEU 56 CO 0.00 0.72 0.00 1.17 0.00 0.00 0.00 177.39 179.28 2wh2 n LYS 57 N 0.04 0.00 -0.35 1.96 4.81 0.46 -5.04 118.16 120.03 2wh2 n LYS 57 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2wh2 n LYS 57 Cb 0.64 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.69 2wh2 n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wh2 n LEU 58 N 0.00 -1.98 0.00 3.14 7.94 -1.26 -3.27 117.00 121.57 2wh2 n LEU 58 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wh2 n LEU 58 Cb 0.00 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.53 2wh2 n LEU 58 CO 0.00 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.57 2wh2 n LYS 59 N -0.11 0.00 -0.00 1.96 5.02 -1.26 -4.71 118.16 119.05 2wh2 n LYS 59 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2wh2 n LYS 59 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2wh2 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh2 n GLY 60 N 0.00 -0.21 3.60 0.72 0.00 -1.26 -4.99 105.19 103.05 2wh2 n GLY 60 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2wh2 n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wh2 s ASN 61 N -2.61 2.17 0.00 1.61 3.84 -1.26 -5.03 114.94 113.66 2wh2 s ASN 61 Ca -0.02 1.94 0.00 0.00 0.21 0.00 0.00 52.86 54.99 2wh2 s ASN 61 Cb 0.04 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 2wh2 s ASN 61 CO 0.27 -3.53 0.00 1.17 -2.79 0.00 0.00 177.10 172.21 2wh2 n LYS 62 N -4.50 0.00 0.00 0.43 3.00 -1.26 -4.36 118.16 111.47 2wh2 n LYS 62 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2wh2 n LYS 62 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.53 2wh2 n LYS 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2wh2 n THR 63 N -0.83 0.00 -0.33 3.15 -2.24 -1.26 -0.96 114.28 111.81 2wh2 n THR 63 Ca 0.00 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.08 2wh2 n THR 63 Cb 0.00 -0.41 0.19 0.00 -2.10 0.00 0.00 70.33 68.01 2wh2 n THR 63 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wh2 h GLU 64 N 0.00 0.02 -0.05 -0.78 4.57 -1.94 1.12 114.58 117.51 2wh2 h GLU 64 Ca 0.00 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2wh2 h GLU 64 Cb 0.00 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2wh2 h GLU 64 CO 0.00 0.01 0.32 0.28 -1.18 0.00 0.00 179.01 178.45 2wh2 h VAL 65 N 0.02 0.06 0.17 0.32 2.07 -1.25 -0.13 116.25 117.52 2wh2 h VAL 65 Ca 0.50 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.74 2wh2 h VAL 65 Cb 0.88 0.69 0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2wh2 h VAL 65 CO -0.91 0.00 -1.30 0.00 0.02 0.00 0.00 177.57 175.38 2wh2 h ALA 66 N 1.40 -0.01 -0.53 1.67 0.00 0.24 -2.93 119.26 119.09 2wh2 h ALA 66 Ca 0.02 -0.91 0.11 0.00 0.00 0.00 0.00 54.91 54.13 2wh2 h ALA 66 Cb 0.67 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 2wh2 h ALA 66 CO -0.00 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.88 2wh2 h ARG 67 N -0.14 0.07 0.17 0.00 3.08 -0.87 0.19 114.38 116.88 2wh2 h ARG 67 Ca -0.25 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2wh2 h ARG 67 Cb 1.89 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.91 2wh2 h ARG 67 CO 0.17 0.05 -0.17 1.96 -1.07 0.00 0.00 179.97 180.91 2wh2 h GLN 68 N 0.08 -0.36 -0.00 0.04 7.50 -1.61 0.31 115.11 121.06 2wh2 h GLN 68 Ca 0.27 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.44 2wh2 h GLN 68 Cb 0.42 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.03 2wh2 h GLN 68 CO -0.48 -0.24 0.27 -0.24 -1.50 0.00 0.00 178.83 176.64 2wh2 h VAL 69 N -0.37 0.01 0.00 -0.54 3.04 -0.86 0.24 116.25 117.78 2wh2 h VAL 69 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2wh2 h VAL 69 Cb 0.35 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2wh2 h VAL 69 CO -0.05 0.00 -0.14 1.23 -1.01 0.00 0.00 177.57 177.60 2wh2 h GLY 70 N 0.00 0.00 1.03 3.17 0.00 0.22 -3.03 103.07 104.46 2wh2 h GLY 70 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2wh2 h GLY 70 CO -0.00 0.00 0.44 3.21 0.00 0.00 0.00 176.54 180.19 2wh2 h ARG 71 N -1.00 0.00 -0.06 4.80 3.08 0.54 0.71 114.38 122.45 2wh2 h ARG 71 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 2wh2 h ARG 71 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.23 2wh2 h ARG 71 CO -0.00 0.00 -0.77 0.00 -1.07 0.00 0.00 179.97 178.13 2wh2 h ALA 72 N 1.28 0.17 -0.29 0.04 0.00 -0.63 -0.20 119.26 119.63 2wh2 h ALA 72 Ca 0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2wh2 h ALA 72 Cb 0.96 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2wh2 h ALA 72 CO -0.00 0.55 0.01 1.25 0.00 0.00 0.00 179.25 181.05 2wh2 h LEU 73 N 0.26 0.49 -0.25 0.00 6.46 0.34 -1.80 115.31 120.82 2wh2 h LEU 73 Ca -0.08 -0.30 0.04 0.00 -0.12 0.00 0.00 57.88 57.42 2wh2 h LEU 73 Cb 1.43 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 41.15 2wh2 h LEU 73 CO 0.15 0.67 -0.52 0.00 -0.62 0.00 0.00 178.44 178.13 2wh2 h ALA 74 N 0.84 -0.82 0.15 1.25 0.00 -0.34 0.34 119.26 120.68 2wh2 h ALA 74 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wh2 h ALA 74 Cb 0.42 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2wh2 h ALA 74 CO 0.01 -1.04 -0.34 0.93 0.00 0.00 0.00 179.25 178.82 2wh2 h GLU 75 N -0.47 -0.52 -1.02 0.00 5.08 -0.92 -0.87 114.58 115.86 2wh2 h GLU 75 Ca 0.05 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.74 2wh2 h GLU 75 Cb 0.60 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2wh2 h GLU 75 CO -0.49 -0.35 0.80 0.87 -1.00 0.00 0.00 179.01 178.85 2wh2 h LYS 76 N -0.54 0.00 0.00 2.33 1.57 -1.02 -3.15 116.57 115.76 2wh2 h LYS 76 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wh2 h LYS 76 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2wh2 h LYS 76 CO -0.15 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.73 2wh2 n ALA 77 N -2.65 -0.15 0.23 3.86 0.00 0.12 -3.73 120.51 118.19 2wh2 n ALA 77 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.71 2wh2 n ALA 77 Cb 1.14 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.85 2wh2 n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh2 h LEU 78 N 0.00 0.00 0.00 0.00 3.38 -1.42 1.49 115.31 118.77 2wh2 h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wh2 h LEU 78 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wh2 h LEU 78 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2wh2 n ALA 79 N -1.52 2.31 -2.15 1.53 0.00 -1.21 -2.91 120.51 116.56 2wh2 n ALA 79 Ca -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.32 2wh2 n ALA 79 Cb 0.60 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.76 2wh2 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh2 n LEU 80 N -1.13 2.11 0.00 0.00 4.32 0.51 -4.96 117.00 117.85 2wh2 n LEU 80 Ca 0.15 -3.11 0.00 0.00 -0.02 0.00 0.00 56.01 53.03 2wh2 n LEU 80 Cb 0.13 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2wh2 n LEU 80 CO 0.15 1.07 0.00 0.61 -1.22 0.00 0.00 177.39 178.00 2wh2 n GLY 81 N -0.36 1.12 3.71 -0.72 0.00 -1.15 -4.93 105.19 102.86 2wh2 n GLY 81 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wh2 n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wh2 n ILE 82 N -2.00 2.38 0.00 -0.61 2.08 -1.25 -4.78 119.36 115.18 2wh2 n ILE 82 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2wh2 n ILE 82 Cb 0.00 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.27 2wh2 n ILE 82 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wh2 n LYS 83 N 0.19 0.00 -3.02 0.38 4.76 -1.26 -4.07 118.16 115.14 2wh2 n LYS 83 Ca 0.06 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 2wh2 n LYS 83 Cb 0.39 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.53 2wh2 n LYS 83 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2wh2 s GLN 84 N -1.79 3.20 0.16 1.97 2.00 -1.26 0.12 119.66 124.06 2wh2 s GLN 84 Ca 0.00 -0.67 -0.04 0.00 -2.00 0.00 0.00 55.36 52.65 2wh2 s GLN 84 Cb 0.00 -4.10 -0.03 0.00 0.80 0.00 0.00 33.01 29.68 2wh2 s GLN 84 CO 0.00 -1.37 0.16 0.14 -0.50 0.00 0.00 175.29 173.72 2wh2 s VAL 85 N 3.21 0.07 0.00 1.34 -7.23 -1.19 -4.71 120.40 111.89 2wh2 s VAL 85 Ca 0.21 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 2wh2 s VAL 85 Cb -0.17 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2wh2 s VAL 85 CO 0.14 -0.31 -0.20 0.00 -0.31 0.00 0.00 175.10 174.43 2wh2 s ALA 86 N -4.04 2.46 1.04 1.32 0.00 0.09 -3.94 121.76 118.68 2wh2 s ALA 86 Ca 0.25 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 2wh2 s ALA 86 Cb 0.06 -0.71 0.21 0.00 0.00 0.00 0.00 23.12 22.68 2wh2 s ALA 86 CO 0.04 0.55 1.16 0.12 0.00 0.00 0.00 175.76 177.63 2wh2 s PHE 87 N -0.79 1.50 0.00 0.00 5.36 -1.26 -0.70 117.98 122.09 2wh2 s PHE 87 Ca 0.12 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.70 2wh2 s PHE 87 Cb -0.10 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 2wh2 s PHE 87 CO 0.02 -3.06 0.00 -3.47 -1.46 0.00 0.00 175.22 167.25 2wh2 n ASP 88 N -4.19 0.00 -2.19 6.13 4.64 -1.11 -4.63 116.55 115.20 2wh2 n ASP 88 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 2wh2 n ASP 88 Cb 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.67 2wh2 n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wh2 n ARG 89 N 0.00 -4.67 0.00 -0.67 0.00 -1.26 -4.77 116.66 105.29 2wh2 n ARG 89 Ca 0.00 3.44 0.00 0.00 -0.00 0.00 0.00 57.85 61.29 2wh2 n ARG 89 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 32.46 28.20 2wh2 n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh2 n GLY 90 N 1.64 -1.10 0.63 5.14 0.00 -1.26 -3.29 105.19 106.94 2wh2 n GLY 90 Ca 0.00 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.49 2wh2 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wh2 n PRO 91 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.18 135.00 131.13 2wh2 n PRO 91 Ca 0.00 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2wh2 n PRO 91 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2wh2 n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wh2 n TYR 92 N -3.70 0.00 -2.96 0.54 4.11 -1.21 -4.77 117.16 109.18 2wh2 n TYR 92 Ca 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 58.25 2wh2 n TYR 92 Cb 1.79 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 41.14 2wh2 n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wh2 n LYS 93 N 0.00 -1.86 -1.19 -3.48 3.00 -1.26 -4.70 118.16 108.66 2wh2 n LYS 93 Ca 0.00 1.81 -0.48 0.00 -0.00 0.00 0.00 58.31 59.64 2wh2 n LYS 93 Cb 0.00 -5.68 -0.12 0.00 0.00 0.00 0.00 35.03 29.24 2wh2 n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wh2 n TYR 94 N -1.02 0.85 0.00 5.64 9.36 -1.26 -4.83 117.16 125.89 2wh2 n TYR 94 Ca 0.06 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.85 2wh2 n TYR 94 Cb 0.48 -2.07 0.00 0.00 -0.63 0.00 0.00 39.34 37.12 2wh2 n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2wh2 n HIS 95 N 7.59 0.00 0.00 2.98 -0.00 -1.26 -5.09 115.22 119.44 2wh2 n HIS 95 Ca 0.52 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.70 2wh2 n HIS 95 Cb -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2wh2 n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wh2 n GLY 96 N -0.08 0.49 0.93 1.57 0.00 -1.26 -3.64 105.19 103.20 2wh2 n GLY 96 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2wh2 n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wh2 n ARG 97 N 0.00 0.00 -1.71 1.61 -4.01 -1.26 -4.82 116.66 106.47 2wh2 n ARG 97 Ca 0.00 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.42 2wh2 n ARG 97 Cb 0.00 -0.81 0.04 0.00 -3.04 0.00 0.00 32.46 28.65 2wh2 n ARG 97 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2wh2 n VAL 98 N 0.47 3.78 -3.25 8.89 0.31 -1.24 -4.90 118.33 122.39 2wh2 n VAL 98 Ca 0.00 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 2wh2 n VAL 98 Cb 0.00 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 31.36 2wh2 n VAL 98 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wh2 n LYS 99 N -0.98 3.09 -2.83 5.55 4.76 -1.26 -4.19 118.16 122.30 2wh2 n LYS 99 Ca 0.11 -4.69 -0.44 0.00 -2.87 0.00 0.00 58.31 50.43 2wh2 n LYS 99 Cb 0.45 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 2wh2 n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wh2 n ALA 100 N 0.72 4.62 -2.69 7.82 0.00 -1.26 -4.80 120.51 124.92 2wh2 n ALA 100 Ca 0.30 -4.43 -0.27 0.00 0.00 0.00 0.00 53.44 49.03 2wh2 n ALA 100 Cb 0.39 -2.81 -0.07 0.00 0.00 0.00 0.00 19.45 16.95 2wh2 n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wh2 s LEU 101 N -0.18 3.43 0.00 0.00 -0.00 -1.26 -4.97 118.68 115.70 2wh2 s LEU 101 Ca 0.38 -0.30 0.00 0.00 -0.00 0.00 0.00 54.13 54.21 2wh2 s LEU 101 Cb 0.01 -2.09 0.00 0.00 -0.00 0.00 0.00 46.19 44.11 2wh2 s LEU 101 CO 0.01 0.11 0.00 0.00 -0.00 0.00 0.00 176.35 176.46 2wh2 n ALA 102 N 0.02 0.00 -0.63 1.48 0.00 -1.26 -4.75 120.51 115.37 2wh2 n ALA 102 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2wh2 n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wh2 n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wh2 n GLU 103 N 0.00 0.00 -0.89 0.00 -0.58 -1.26 -4.84 120.64 113.07 2wh2 n GLU 103 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2wh2 n GLU 103 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 2wh2 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wh2 n GLY 104 N 0.00 -2.55 2.71 0.62 0.00 -1.26 -4.86 105.19 99.85 2wh2 n GLY 104 Ca 0.00 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2wh2 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 n ALA 105 N -1.23 5.87 0.90 4.61 0.00 0.33 -4.52 120.51 126.47 2wh2 n ALA 105 Ca 0.05 -4.58 0.13 0.00 0.00 0.00 0.00 53.44 49.04 2wh2 n ALA 105 Cb 0.36 -1.90 0.40 0.00 0.00 0.00 0.00 19.45 18.31 2wh2 n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wh2 n ARG 106 N -0.14 0.07 -3.00 0.00 0.00 -1.25 -3.18 116.66 109.15 2wh2 n ARG 106 Ca 0.45 0.03 -0.18 0.00 -0.00 0.00 0.00 57.85 58.16 2wh2 n ARG 106 Cb 0.29 -1.56 0.02 0.00 0.00 0.00 0.00 32.46 31.21 2wh2 n ARG 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wh2 n GLU 107 N -1.66 -0.95 0.00 -0.14 4.71 -1.26 -4.54 120.64 116.80 2wh2 n GLU 107 Ca 0.06 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.15 2wh2 n GLU 107 Cb 0.36 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.51 2wh2 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wh2 n GLY 108 N 0.50 0.01 0.00 0.62 0.00 -1.26 -4.96 105.19 100.10 2wh2 n GLY 108 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2wh2 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93