#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s SER 5 N 0.00 1.34 0.09 2.55 0.01 -1.26 -4.49 113.70 111.93 1s1h s SER 5 Ca 0.00 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.30 1s1h s SER 5 Cb 0.00 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 1s1h s SER 5 CO 0.00 -0.43 -0.13 0.68 0.41 0.00 0.00 173.24 173.77 1s1h s VAL 6 N -3.54 1.14 0.22 3.43 -7.23 -0.47 -4.97 120.40 108.98 1s1h s VAL 6 Ca 0.13 -1.47 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1s1h s VAL 6 Cb 0.04 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 1s1h s VAL 6 CO -0.03 -0.33 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.75 1s1h s GLN 7 N -2.17 1.35 -0.25 4.82 0.74 -1.26 -1.53 119.66 121.36 1s1h s GLN 7 Ca 0.02 -1.63 -0.27 0.00 0.05 0.00 0.00 55.36 53.53 1s1h s GLN 7 Cb -0.07 -0.98 0.14 0.00 1.10 0.00 0.00 33.01 33.19 1s1h s GLN 7 CO 0.02 0.09 1.10 -0.08 -0.55 0.00 0.00 175.29 175.87 1s1h s THR 8 N -3.10 0.00 0.00 -0.34 -1.32 -0.99 -3.57 115.64 106.32 1s1h s THR 8 Ca 0.24 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1s1h s THR 8 Cb 0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1s1h s THR 8 CO 0.08 0.00 0.00 0.33 -2.21 0.00 0.00 174.62 172.82 1s1h n PHE 9 N 1.61 0.00 0.00 9.09 7.35 -1.26 -1.00 117.46 133.25 1s1h n PHE 9 Ca -0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1s1h n PHE 9 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 1s1h n PHE 9 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1s1h n GLY 10 N 4.83 2.20 2.95 7.13 0.00 -1.25 -3.24 105.19 117.81 1s1h n GLY 10 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1s1h n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1h s LYS 11 N -3.22 0.30 -0.03 1.61 0.00 -1.26 -1.36 119.74 115.79 1s1h s LYS 11 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 55.97 55.63 1s1h s LYS 11 Cb 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 37.83 37.61 1s1h s LYS 11 CO 0.00 0.06 0.25 0.21 0.00 0.00 0.00 175.35 175.87 1s1h s LYS 12 N -0.36 0.52 2.80 1.78 2.20 -0.95 -4.57 119.74 121.16 1s1h s LYS 12 Ca -0.01 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1s1h s LYS 12 Cb -0.03 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1s1h s LYS 12 CO -0.00 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.49 1s1h n LYS 13 N 1.77 0.00 -3.57 4.03 5.02 -1.26 -1.10 118.16 123.05 1s1h n LYS 13 Ca -0.20 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.69 1s1h n LYS 13 Cb 0.56 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.50 1s1h n LYS 13 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1s1h s SER 14 N -4.00 5.79 -0.14 4.39 0.15 -1.26 -4.99 113.70 113.64 1s1h s SER 14 Ca 0.00 -2.52 -0.20 0.00 0.70 0.00 0.00 55.95 53.93 1s1h s SER 14 Cb 0.00 -2.00 0.05 0.00 -1.71 0.00 0.00 66.02 62.36 1s1h s SER 14 CO 0.00 -0.52 0.52 0.00 1.20 0.00 0.00 173.24 174.44 1s1h s ALA 15 N 0.44 -1.30 -0.04 5.45 0.00 -0.26 -1.50 121.76 124.54 1s1h s ALA 15 Ca 0.14 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.42 1s1h s ALA 15 Cb -0.19 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1s1h s ALA 15 CO -0.04 -0.27 -0.18 0.95 0.00 0.00 0.00 175.76 176.21 1s1h s THR 16 N -0.22 1.53 -0.07 0.00 -4.23 -1.13 -2.23 115.64 109.29 1s1h s THR 16 Ca -0.04 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1s1h s THR 16 Cb -0.03 -1.30 0.02 0.00 1.34 0.00 0.00 72.50 72.52 1s1h s THR 16 CO 0.03 0.44 -0.06 0.00 -0.54 0.00 0.00 174.62 174.48 1s1h s ALA 17 N -0.05 0.95 -0.27 3.99 0.00 -0.46 -2.46 121.76 123.46 1s1h s ALA 17 Ca -0.03 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1s1h s ALA 17 Cb -0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1s1h s ALA 17 CO 0.02 -0.12 0.46 0.14 0.00 0.00 0.00 175.76 176.26 1s1h s VAL 18 N 1.15 5.10 -0.20 0.00 -7.23 0.13 -3.86 120.40 115.49 1s1h s VAL 18 Ca -0.07 0.74 -0.04 0.00 -1.81 0.00 0.00 61.98 60.80 1s1h s VAL 18 Cb -0.14 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 1s1h s VAL 18 CO -0.01 0.09 -0.02 0.00 -0.31 0.00 0.00 175.10 174.85 1s1h s ALA 19 N 2.23 2.92 -0.24 1.32 0.00 -0.17 -2.02 121.76 125.79 1s1h s ALA 19 Ca 0.19 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1s1h s ALA 19 Cb -0.16 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.29 1s1h s ALA 19 CO 0.10 -0.24 -0.12 -1.01 0.00 0.00 0.00 175.76 174.49 1s1h s HIS 20 N 1.16 3.15 0.09 0.00 3.76 -0.46 -2.35 115.29 120.64 1s1h s HIS 20 Ca 0.02 -2.10 -0.06 0.00 -0.15 0.00 0.00 55.06 52.77 1s1h s HIS 20 Cb -0.15 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 1s1h s HIS 20 CO 0.00 -0.85 0.35 0.08 -0.85 0.00 0.00 174.74 173.48 1s1h s VAL 21 N 1.17 5.18 -0.17 -0.90 1.01 -0.58 -0.79 120.40 125.32 1s1h s VAL 21 Ca -0.05 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 1s1h s VAL 21 Cb -0.18 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1s1h s VAL 21 CO -0.06 0.19 0.43 -0.54 0.00 0.00 0.00 175.10 175.11 1s1h s LYS 22 N -2.24 0.48 0.21 2.72 1.02 -0.05 -1.37 119.74 120.51 1s1h s LYS 22 Ca 0.36 0.65 -0.32 0.00 0.02 0.00 0.00 55.97 56.68 1s1h s LYS 22 Cb -0.13 0.19 -0.11 0.00 -0.52 0.00 0.00 37.83 37.26 1s1h s LYS 22 CO 0.21 -0.08 1.67 0.00 -0.92 0.00 0.00 175.35 176.23 1s1h s ALA 23 N 0.48 3.88 0.00 5.17 0.00 -1.26 0.03 121.76 130.07 1s1h s ALA 23 Ca -0.02 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1s1h s ALA 23 Cb -0.04 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1s1h s ALA 23 CO -0.02 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1s1h n GLY 24 N 3.71 1.25 0.12 0.00 0.00 -1.22 -4.78 105.19 104.27 1s1h n GLY 24 Ca 0.14 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1s1h n GLY 24 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s1h h LYS 25 N 0.00 0.27 0.00 1.61 3.64 -1.84 -3.27 116.57 116.98 1s1h h LYS 25 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1s1h h LYS 25 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1s1h h LYS 25 CO 0.00 0.55 0.00 0.41 -2.27 0.00 0.00 179.45 178.14 1s1h n GLY 26 N -0.15 0.65 3.82 5.01 0.00 0.26 -4.15 105.19 110.64 1s1h n GLY 26 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1s1h n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s1h s LEU 27 N 0.00 3.08 -0.07 0.99 2.34 -1.26 -4.76 118.68 118.99 1s1h s LEU 27 Ca 0.00 1.56 0.01 0.00 0.06 0.00 0.00 54.13 55.77 1s1h s LEU 27 Cb 0.00 -4.42 0.02 0.00 -0.56 0.00 0.00 46.19 41.23 1s1h s LEU 27 CO 0.00 -1.46 -0.10 -0.63 -1.06 0.00 0.00 176.35 173.10 1s1h s ILE 28 N -3.07 0.97 -0.38 1.48 1.01 -1.26 -1.75 121.20 118.20 1s1h s ILE 28 Ca 0.58 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 1s1h s ILE 28 Cb -0.14 -0.93 0.08 0.00 0.01 0.00 0.00 42.46 41.49 1s1h s ILE 28 CO 0.55 0.33 0.17 -0.75 0.00 0.00 0.00 174.94 175.23 1s1h s LYS 29 N 0.91 2.36 -0.32 2.79 2.36 -0.37 -1.43 119.74 126.05 1s1h s LYS 29 Ca -0.10 -1.51 -0.08 0.00 -2.55 0.00 0.00 55.97 51.72 1s1h s LYS 29 Cb -0.15 -3.55 0.01 0.00 -1.05 0.00 0.00 37.83 33.09 1s1h s LYS 29 CO 0.01 -0.89 0.13 0.54 1.55 0.00 0.00 175.35 176.68 1s1h s VAL 30 N 1.29 4.28 -2.13 4.02 0.11 0.05 -0.71 120.40 127.31 1s1h s VAL 30 Ca 0.03 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1s1h s VAL 30 Cb -0.22 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1s1h s VAL 30 CO -0.01 0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.36 1s1h n ASN 31 N 4.93 -5.58 0.00 3.54 3.02 -0.24 -1.94 115.26 118.99 1s1h n ASN 31 Ca -0.14 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1s1h n ASN 31 Cb 0.48 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 1s1h n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s1h n GLY 32 N -0.52 3.10 3.80 7.41 0.00 -1.26 -5.03 105.19 112.67 1s1h n GLY 32 Ca -0.21 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1s1h n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s1h s SER 33 N 0.00 4.25 0.75 1.61 0.01 -0.82 -4.94 113.70 114.56 1s1h s SER 33 Ca 0.00 1.25 -0.11 0.00 1.31 0.00 0.00 55.95 58.40 1s1h s SER 33 Cb 0.00 -1.95 0.04 0.00 0.21 0.00 0.00 66.02 64.32 1s1h s SER 33 CO 0.00 -2.12 1.08 -2.16 0.41 0.00 0.00 173.24 170.45 1s1h s PRO 34 N -5.17 2.45 0.21 12.44 0.04 -1.26 -0.77 135.00 142.94 1s1h s PRO 34 Ca 0.61 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 1s1h s PRO 34 Cb -0.15 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.65 1s1h s PRO 34 CO 0.54 -1.44 1.84 0.97 0.04 0.00 0.00 177.00 178.95 1s1h h ILE 35 N -0.97 1.08 -0.33 0.56 6.09 -1.58 0.26 117.51 122.62 1s1h h ILE 35 Ca -0.45 -0.29 -0.07 0.00 -1.37 0.00 0.00 64.86 62.68 1s1h h ILE 35 Cb 1.23 0.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 1s1h h ILE 35 CO 0.56 0.15 -0.10 0.71 -3.07 0.00 0.00 178.15 176.40 1s1h h THR 36 N 0.84 1.23 -0.29 2.19 1.35 -1.91 -2.60 112.91 113.72 1s1h h THR 36 Ca 0.28 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 65.06 1s1h h THR 36 Cb 0.04 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1s1h h THR 36 CO -0.12 0.34 -0.07 0.25 -0.25 0.00 0.00 175.52 175.67 1s1h h LEU 37 N 0.52 0.56 -0.40 3.87 5.85 -0.90 0.97 115.31 125.78 1s1h h LEU 37 Ca 0.10 -0.36 -0.14 0.00 0.84 0.00 0.00 57.88 58.31 1s1h h LEU 37 Cb 0.49 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1s1h h LEU 37 CO 0.03 0.80 -0.29 0.58 -0.34 0.00 0.00 178.44 179.21 1s1h h VAL 38 N 0.32 1.28 0.00 1.05 2.07 -1.00 -3.24 116.25 116.73 1s1h h VAL 38 Ca 0.07 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1s1h h VAL 38 Cb 0.55 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1s1h h VAL 38 CO 0.03 0.49 0.00 -1.84 0.02 0.00 0.00 177.57 176.27 1s1h n GLU 39 N -4.13 0.85 -1.56 1.57 0.28 -0.99 -5.02 120.64 111.64 1s1h n GLU 39 Ca -0.02 0.00 -0.49 0.00 -0.16 0.00 0.00 57.16 56.49 1s1h n GLU 39 Cb 0.49 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.82 1s1h n GLU 39 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1s1h n PRO 40 N -1.06 1.04 -3.55 3.44 -0.04 0.33 -2.28 135.00 132.88 1s1h n PRO 40 Ca 0.21 0.37 -0.20 0.00 -0.04 0.00 0.00 63.50 63.84 1s1h n PRO 40 Cb 0.13 -1.84 0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1s1h n PRO 40 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1s1h n GLU 41 N 1.68 -6.57 -3.95 0.54 0.28 -1.26 -5.02 120.64 106.35 1s1h n GLU 41 Ca 0.15 0.79 -0.30 0.00 -0.16 0.00 0.00 57.16 57.64 1s1h n GLU 41 Cb 0.24 -5.73 -0.16 0.00 1.43 0.00 0.00 31.44 27.22 1s1h n GLU 41 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1s1h s ILE 42 N -3.40 1.56 0.40 3.84 -4.36 -0.96 -4.95 121.20 113.32 1s1h s ILE 42 Ca 0.18 -1.23 0.13 0.00 -0.26 0.00 0.00 60.65 59.47 1s1h s ILE 42 Cb -0.08 -1.81 0.12 0.00 1.25 0.00 0.00 42.46 41.94 1s1h s ILE 42 CO 0.75 -0.09 1.88 -0.07 0.24 0.00 0.00 174.94 177.66 1s1h h LEU 43 N 7.95 0.01 -1.46 0.37 -0.00 -1.95 -3.01 115.31 117.22 1s1h h LEU 43 Ca -0.18 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1s1h h LEU 43 Cb 1.07 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.70 1s1h h LEU 43 CO 0.42 0.31 0.29 -0.09 -0.00 0.00 0.00 178.44 179.37 1s1h h ARG 44 N 0.01 0.65 -4.48 1.13 9.65 -1.97 -3.41 114.38 115.96 1s1h h ARG 44 Ca -0.00 -0.05 -0.31 0.00 -1.10 0.00 0.00 59.98 58.52 1s1h h ARG 44 Cb 0.54 -0.14 0.07 0.00 -1.39 0.00 0.00 29.97 29.05 1s1h h ARG 44 CO 0.04 0.46 1.25 0.34 2.80 0.00 0.00 179.97 184.86 1s1h n PHE 45 N -4.43 0.08 -1.54 2.20 7.35 -1.14 -4.66 117.46 115.32 1s1h n PHE 45 Ca 0.04 -0.57 -0.34 0.00 -0.76 0.00 0.00 57.45 55.83 1s1h n PHE 45 Cb 0.08 -0.73 0.04 0.00 0.35 0.00 0.00 39.48 39.22 1s1h n PHE 45 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1s1h n LYS 46 N 6.48 2.58 -0.12 -4.13 5.02 -1.26 -4.47 118.16 122.26 1s1h n LYS 46 Ca 0.25 -3.06 -0.04 0.00 -2.02 0.00 0.00 58.31 53.45 1s1h n LYS 46 Cb 0.22 -2.19 0.18 0.00 -0.02 0.00 0.00 35.03 33.21 1s1h n LYS 46 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s1h h VAL 47 N 1.54 1.23 -0.69 -0.18 2.07 -1.83 -2.50 116.25 115.89 1s1h h VAL 47 Ca 0.53 -0.91 -0.34 0.00 0.82 0.00 0.00 66.70 66.80 1s1h h VAL 47 Cb 0.50 0.78 -0.20 0.00 -1.52 0.00 0.00 31.29 30.84 1s1h h VAL 47 CO 1.34 0.33 0.44 -1.22 0.02 0.00 0.00 177.57 178.47 1s1h n TYR 48 N -4.24 2.16 -0.21 1.57 4.01 -1.26 -3.97 117.16 115.21 1s1h n TYR 48 Ca 0.03 -1.39 -0.08 0.00 -0.16 0.00 0.00 57.90 56.29 1s1h n TYR 48 Cb 0.26 -0.72 0.04 0.00 -0.31 0.00 0.00 39.34 38.61 1s1h n TYR 48 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1s1h h GLU 49 N 0.90 1.07 0.00 -0.72 4.39 -1.80 -2.60 114.58 115.82 1s1h h GLU 49 Ca 0.42 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1s1h h GLU 49 Cb 2.29 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.83 1s1h h GLU 49 CO 0.76 1.03 -0.06 -1.00 -1.16 0.00 0.00 179.01 178.58 1s1h h PRO 50 N 0.99 0.00 -0.10 2.33 0.13 -1.83 -2.24 132.00 131.27 1s1h h PRO 50 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1s1h h PRO 50 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1s1h h PRO 50 CO 0.03 0.06 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.69 1s1h h LEU 51 N 0.00 0.26 -1.08 1.56 3.38 -1.72 -3.20 115.31 114.51 1s1h h LEU 51 Ca -0.00 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1s1h h LEU 51 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1s1h h LEU 51 CO 0.01 0.68 0.06 0.25 0.09 0.00 0.00 178.44 179.53 1s1h h LEU 52 N -0.16 0.67 -2.15 1.67 6.46 -1.40 -0.23 115.31 120.16 1s1h h LEU 52 Ca 0.02 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1s1h h LEU 52 Cb 0.61 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1s1h h LEU 52 CO 0.02 0.70 -0.05 -0.07 -0.62 0.00 0.00 178.44 178.43 1s1h h LEU 53 N 0.69 0.00 -1.28 2.25 -0.00 -1.43 -3.05 115.31 112.49 1s1h h LEU 53 Ca 0.15 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 58.17 1s1h h LEU 53 Cb 0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 1s1h h LEU 53 CO 0.01 0.05 0.57 -0.37 -0.00 0.00 0.00 178.44 178.70 1s1h h VAL 54 N 0.00 0.84 0.00 1.22 -1.51 -1.40 -3.46 116.25 111.95 1s1h h VAL 54 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1s1h h VAL 54 Cb 0.26 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 1s1h h VAL 54 CO 0.01 0.13 0.00 0.61 -1.23 0.00 0.00 177.57 177.08 1s1h n GLY 55 N -1.43 0.14 3.67 5.19 0.00 -1.15 -4.96 105.19 106.64 1s1h n GLY 55 Ca 0.17 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1s1h n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1h s LEU 56 N 0.00 4.39 -0.15 0.99 1.02 -1.26 -4.73 118.68 118.94 1s1h s LEU 56 Ca 0.00 2.54 -0.38 0.00 0.02 0.00 0.00 54.13 56.31 1s1h s LEU 56 Cb 0.00 -3.54 -0.15 0.00 0.02 0.00 0.00 46.19 42.52 1s1h s LEU 56 CO 0.00 -1.00 1.70 0.47 0.02 0.00 0.00 176.35 177.54 1s1h n ASP 57 N 7.08 2.53 -4.74 2.29 9.92 -1.26 -4.88 116.55 127.50 1s1h n ASP 57 Ca 0.19 1.06 -0.41 0.00 -0.53 0.00 0.00 54.79 55.10 1s1h n ASP 57 Cb 0.41 -1.21 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 1s1h n ASP 57 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1s1h s LYS 58 N 2.99 4.57 0.00 -1.24 -2.85 -0.16 -3.95 119.74 119.10 1s1h s LYS 58 Ca 0.94 1.74 0.00 0.00 -1.00 0.00 0.00 55.97 57.65 1s1h s LYS 58 Cb -0.95 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 31.55 1s1h s LYS 58 CO 0.58 0.04 0.00 0.34 0.10 0.00 0.00 175.35 176.41 1s1h n PHE 59 N 2.44 0.00 0.68 1.78 -0.00 -1.26 -4.05 117.46 117.05 1s1h n PHE 59 Ca 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.53 1s1h n PHE 59 Cb 0.46 0.00 0.32 0.00 -0.00 0.00 0.00 39.48 40.26 1s1h n PHE 59 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1s1h n SER 60 N 0.00 0.00 0.00 -2.13 2.88 -1.25 -0.55 113.62 112.57 1s1h n SER 60 Ca 0.00 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1s1h n SER 60 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1s1h n SER 60 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1s1h n ASN 61 N -0.99 0.59 -4.20 -3.46 0.23 -1.26 -4.85 115.26 101.31 1s1h n ASN 61 Ca 0.08 -1.25 -0.24 0.00 -0.53 0.00 0.00 54.58 52.65 1s1h n ASN 61 Cb 0.04 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.65 1s1h n ASN 61 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1s1h s ILE 62 N -0.25 0.71 -0.06 1.53 -1.09 0.29 -3.46 121.20 118.88 1s1h s ILE 62 Ca 0.00 -2.00 -0.18 0.00 -2.23 0.00 0.00 60.65 56.24 1s1h s ILE 62 Cb 0.00 -2.47 0.04 0.00 -1.58 0.00 0.00 42.46 38.44 1s1h s ILE 62 CO 0.00 0.00 0.41 -0.62 -1.23 0.00 0.00 174.94 173.50 1s1h s ASP 63 N -3.55 -0.34 -0.02 3.58 -1.08 0.11 0.92 116.67 116.28 1s1h s ASP 63 Ca 0.28 0.41 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1s1h s ASP 63 Cb 0.04 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 42.03 1s1h s ASP 63 CO 0.15 -0.40 0.02 -0.51 0.52 0.00 0.00 175.17 174.95 1s1h s ILE 64 N -0.90 -0.02 -0.17 4.11 2.07 -0.72 -0.87 121.20 124.71 1s1h s ILE 64 Ca -0.10 0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1s1h s ILE 64 Cb -0.04 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.43 1s1h s ILE 64 CO 0.04 0.09 -0.02 -0.60 -1.91 0.00 0.00 174.94 172.54 1s1h s ARG 65 N 0.95 3.69 -0.01 3.50 3.52 0.03 -1.23 118.95 129.40 1s1h s ARG 65 Ca -0.08 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1s1h s ARG 65 Cb -0.12 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1s1h s ARG 65 CO -0.03 0.21 -0.03 0.54 -0.81 0.00 0.00 175.30 175.18 1s1h s VAL 66 N 0.47 0.31 -0.13 7.11 0.11 0.11 -1.36 120.40 127.02 1s1h s VAL 66 Ca -0.02 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1s1h s VAL 66 Cb -0.14 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1s1h s VAL 66 CO 0.02 0.11 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.22 1s1h s ARG 67 N 0.14 3.40 -0.04 1.54 6.06 -0.86 -1.08 118.95 128.11 1s1h s ARG 67 Ca -0.01 -0.59 -0.00 0.00 -2.50 0.00 0.00 55.73 52.63 1s1h s ARG 67 Cb -0.04 -2.75 0.03 0.00 0.06 0.00 0.00 34.95 32.25 1s1h s ARG 67 CO -0.00 0.30 0.00 0.54 -2.50 0.00 0.00 175.30 173.64 1s1h s VAL 68 N 0.15 0.22 -0.05 7.11 0.11 -1.26 0.18 120.40 126.86 1s1h s VAL 68 Ca -0.04 0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1s1h s VAL 68 Cb -0.14 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1s1h s VAL 68 CO 0.04 0.18 0.14 0.42 -3.33 0.00 0.00 175.10 172.55 1s1h s THR 69 N 1.37 -0.00 0.00 5.04 -4.23 -1.03 -4.94 115.64 111.85 1s1h s THR 69 Ca -0.05 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1s1h s THR 69 Cb -0.13 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.50 1s1h s THR 69 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1s1h n GLY 70 N 3.04 2.75 7.00 3.99 0.00 -1.26 -2.82 105.19 117.89 1s1h n GLY 70 Ca -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1s1h n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1h n GLY 71 N 1.12 0.85 3.53 -0.02 0.00 -0.56 -4.36 105.19 105.74 1s1h n GLY 71 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1s1h n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s1h s GLY 72 N -0.18 2.49 0.43 -0.02 0.00 -1.26 -5.00 107.32 103.77 1s1h s GLY 72 Ca 0.00 -1.41 0.11 0.00 0.00 0.00 0.00 44.72 43.42 1s1h s GLY 72 CO 0.00 -1.88 2.01 0.45 0.00 0.00 0.00 173.10 173.69 1s1h h HIS 73 N 1.84 0.24 -0.16 1.90 -0.00 -1.98 0.19 115.15 117.17 1s1h h HIS 73 Ca -0.38 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 59.90 1s1h h HIS 73 Cb 1.27 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1s1h h HIS 73 CO 1.20 0.26 -0.22 0.28 -0.00 0.00 0.00 177.93 179.45 1s1h h VAL 74 N 0.24 1.35 -0.72 2.45 2.07 -1.98 -2.48 116.25 117.19 1s1h h VAL 74 Ca 0.06 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1s1h h VAL 74 Cb 0.17 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1s1h h VAL 74 CO 0.00 0.42 0.35 -1.28 0.02 0.00 0.00 177.57 177.09 1s1h h SER 75 N 0.05 0.93 -0.76 0.57 0.87 -1.56 -1.55 113.55 112.10 1s1h h SER 75 Ca 0.02 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 1s1h h SER 75 Cb 0.78 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1s1h h SER 75 CO 0.05 0.80 0.30 1.56 -0.53 0.00 0.00 176.83 179.01 1s1h h GLN 76 N 1.00 1.15 -0.87 2.24 4.20 -0.72 -0.31 115.11 121.80 1s1h h GLN 76 Ca 0.25 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1s1h h GLN 76 Cb 0.11 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1s1h h GLN 76 CO -0.03 0.94 0.57 0.28 -0.67 0.00 0.00 178.83 179.92 1s1h h VAL 77 N 1.12 1.18 -0.24 -0.54 2.07 -0.80 0.27 116.25 119.32 1s1h h VAL 77 Ca 0.26 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 1s1h h VAL 77 Cb 0.22 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1s1h h VAL 77 CO -0.02 0.21 -0.45 1.88 0.02 0.00 0.00 177.57 179.21 1s1h h TYR 78 N 1.13 0.91 -0.34 1.57 -1.99 -0.94 -1.92 116.97 115.38 1s1h h TYR 78 Ca 0.33 -0.32 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1s1h h TYR 78 Cb -0.05 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 1s1h h TYR 78 CO -0.00 1.11 0.07 0.00 -0.00 0.00 0.00 178.16 179.33 1s1h h ALA 79 N 0.63 0.45 -0.68 3.88 0.00 0.11 -1.05 119.26 122.60 1s1h h ALA 79 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1s1h h ALA 79 Cb 1.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1s1h h ALA 79 CO 0.10 0.13 0.24 0.82 0.00 0.00 0.00 179.25 180.54 1s1h h ILE 80 N 0.39 1.24 -0.91 0.00 1.08 -0.58 0.25 117.51 118.99 1s1h h ILE 80 Ca 0.10 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1s1h h ILE 80 Cb 0.33 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 1s1h h ILE 80 CO 0.00 0.32 0.54 -0.09 -0.69 0.00 0.00 178.15 178.24 1s1h h ARG 81 N 1.00 1.24 -0.31 2.37 2.43 -0.93 0.30 114.38 120.47 1s1h h ARG 81 Ca 0.23 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 1s1h h ARG 81 Cb 0.25 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1s1h h ARG 81 CO -0.01 0.87 -0.41 1.96 -1.51 0.00 0.00 179.97 180.87 1s1h h GLN 82 N 1.25 0.76 0.54 0.20 4.20 0.09 -2.08 115.11 120.08 1s1h h GLN 82 Ca 0.33 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1s1h h GLN 82 Cb -0.04 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.76 1s1h h GLN 82 CO -0.06 1.03 -0.26 0.00 -0.67 0.00 0.00 178.83 178.86 1s1h h ALA 83 N 0.92 -0.73 0.00 3.87 0.00 0.56 0.15 119.26 124.02 1s1h h ALA 83 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s1h h ALA 83 Cb 0.96 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s1h h ALA 83 CO 0.09 -0.91 -0.08 0.97 0.00 0.00 0.00 179.25 179.32 1s1h h ILE 84 N -0.73 0.86 -0.36 0.00 2.10 -0.97 0.27 117.51 118.68 1s1h h ILE 84 Ca -0.07 -0.29 -0.09 0.00 1.08 0.00 0.00 64.86 65.49 1s1h h ILE 84 Cb 0.56 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.45 1s1h h ILE 84 CO 0.12 0.08 -0.12 0.00 -1.08 0.00 0.00 178.15 177.15 1s1h h ALA 85 N 1.92 0.50 -0.07 0.18 0.00 -0.61 -2.81 119.26 118.38 1s1h h ALA 85 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1s1h h ALA 85 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s1h h ALA 85 CO 0.01 0.38 -0.34 -0.22 0.00 0.00 0.00 179.25 179.08 1s1h h LYS 86 N 0.51 0.36 -0.86 0.00 1.63 0.22 -3.22 116.57 115.20 1s1h h LYS 86 Ca 0.09 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.60 1s1h h LYS 86 Cb 0.64 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 1s1h h LYS 86 CO 0.04 0.93 0.56 0.78 -3.45 0.00 0.00 179.45 178.32 1s1h h GLY 87 N -0.13 1.22 1.82 5.01 0.00 -0.97 0.17 103.07 110.19 1s1h h GLY 87 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.87 1s1h h GLY 87 CO 0.07 0.45 0.07 -2.00 0.00 0.00 0.00 176.54 175.13 1s1h h LEU 88 N 1.18 0.00 0.03 3.11 5.85 -1.53 -0.75 115.31 123.20 1s1h h LEU 88 Ca 0.32 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.78 1s1h h LEU 88 Cb -0.12 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.93 1s1h h LEU 88 CO -0.07 0.00 -1.01 1.62 -0.34 0.00 0.00 178.44 178.64 1s1h h VAL 89 N 0.00 1.31 -0.69 1.05 3.04 -0.67 -3.11 116.25 117.18 1s1h h VAL 89 Ca 0.04 -2.27 -0.05 0.00 -1.01 0.00 0.00 66.70 63.42 1s1h h VAL 89 Cb 0.18 2.49 -0.03 0.00 -2.01 0.00 0.00 31.29 31.92 1s1h h VAL 89 CO -0.00 0.69 0.24 0.00 -1.01 0.00 0.00 177.57 177.49 1s1h h ALA 90 N 0.36 0.90 0.12 3.17 0.00 -0.80 -2.41 119.26 120.59 1s1h h ALA 90 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s1h h ALA 90 Cb 1.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1s1h h ALA 90 CO 0.20 0.55 -0.11 -0.92 0.00 0.00 0.00 179.25 178.97 1s1h h TYR 91 N 0.99 -0.27 -2.74 0.00 3.20 -1.44 -3.42 116.97 113.28 1s1h h TYR 91 Ca 0.22 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 1s1h h TYR 91 Cb 0.26 0.11 -0.26 0.00 1.54 0.00 0.00 36.73 38.38 1s1h h TYR 91 CO 0.02 -0.17 -0.30 -1.01 -1.64 0.00 0.00 178.16 175.06 1s1h s HIS 92 N -6.15 -0.50 0.23 -3.82 3.76 -0.95 -5.00 115.29 102.85 1s1h s HIS 92 Ca -0.14 1.14 -0.06 0.00 -0.15 0.00 0.00 55.06 55.84 1s1h s HIS 92 Cb 0.06 0.20 0.21 0.00 1.11 0.00 0.00 32.58 34.16 1s1h s HIS 92 CO 0.65 -0.28 1.78 1.96 -0.85 0.00 0.00 174.74 178.01 1s1h h GLN 93 N 6.49 1.10 -0.15 1.40 4.20 -1.71 -3.06 115.11 123.39 1s1h h GLN 93 Ca -0.33 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 1s1h h GLN 93 Cb 1.18 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1s1h h GLN 93 CO 0.29 0.93 0.07 0.87 -0.67 0.00 0.00 178.83 180.32 1s1h h LYS 94 N 1.07 0.22 0.17 1.46 1.57 -1.92 -3.18 116.57 115.95 1s1h h LYS 94 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1s1h h LYS 94 Cb 0.27 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1s1h h LYS 94 CO -0.01 0.28 -0.08 1.88 -0.57 0.00 0.00 179.45 180.95 1s1h h TYR 95 N 0.10 -0.21 -2.67 -1.35 0.05 -1.83 -3.35 116.97 107.72 1s1h h TYR 95 Ca 0.05 -0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.28 1s1h h TYR 95 Cb 0.13 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1s1h h TYR 95 CO -0.02 -0.02 1.04 0.08 -1.05 0.00 0.00 178.16 178.19 1s1h s VAL 96 N -5.63 3.66 0.00 -2.88 1.01 -1.19 -4.65 120.40 110.72 1s1h s VAL 96 Ca -0.14 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1s1h s VAL 96 Cb 0.04 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1s1h s VAL 96 CO 0.64 -0.07 0.00 -0.90 0.00 0.00 0.00 175.10 174.77 1s1h n ASP 97 N 6.89 0.00 -4.56 3.32 5.68 -1.26 -3.50 116.55 123.12 1s1h n ASP 97 Ca 0.16 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 54.08 1s1h n ASP 97 Cb 0.43 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1s1h n ASP 97 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1s1h s GLU 98 N 3.94 3.26 0.00 0.11 2.12 -0.32 0.25 118.70 128.07 1s1h s GLU 98 Ca 0.00 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1s1h s GLU 98 Cb 0.00 -5.19 0.00 0.00 0.26 0.00 0.00 34.13 29.20 1s1h s GLU 98 CO 0.00 -2.53 0.00 1.04 -0.54 0.00 0.00 175.26 173.23 1s1h n GLN 99 N 8.92 0.00 0.00 4.30 6.02 -0.96 -3.36 117.38 132.30 1s1h n GLN 99 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1s1h n GLN 99 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 1s1h n GLN 99 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1s1h n SER 100 N 0.00 0.00 -0.08 1.08 7.64 0.35 -3.68 113.62 118.93 1s1h n SER 100 Ca 0.00 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 1s1h n SER 100 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1s1h n SER 100 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s1h n LYS 101 N -0.39 0.50 0.00 1.43 4.76 0.34 -4.28 118.16 120.52 1s1h n LYS 101 Ca 0.00 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1s1h n LYS 101 Cb 0.00 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1s1h n LYS 101 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1s1h n ASN 102 N -4.54 0.00 0.07 4.39 4.05 0.38 -4.70 115.26 114.91 1s1h n ASN 102 Ca -0.17 0.00 -0.17 0.00 0.45 0.00 0.00 54.58 54.69 1s1h n ASN 102 Cb 0.43 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.36 1s1h n ASN 102 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1s1h h GLU 103 N 0.00 0.49 0.00 1.20 5.08 -1.84 -0.83 114.58 118.69 1s1h h GLU 103 Ca 0.00 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1s1h h GLU 103 Cb 0.00 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1s1h h GLU 103 CO 0.00 1.22 -0.02 -0.07 -1.00 0.00 0.00 179.01 179.13 1s1h h LEU 104 N 0.26 0.00 0.44 1.33 4.07 -1.55 -3.03 115.31 116.83 1s1h h LEU 104 Ca -0.12 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 1s1h h LEU 104 Cb 1.71 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.45 1s1h h LEU 104 CO 0.19 0.02 -0.28 0.50 -1.08 0.00 0.00 178.44 177.79 1s1h h LYS 105 N 0.00 -0.66 0.00 1.13 3.11 0.34 1.03 116.57 121.52 1s1h h LYS 105 Ca -0.00 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1s1h h LYS 105 Cb 0.61 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1s1h h LYS 105 CO 0.00 -0.44 0.00 1.17 -2.81 0.00 0.00 179.45 177.38 1s1h n LYS 106 N -4.10 0.00 -4.01 1.90 3.00 -1.24 -2.07 118.16 111.64 1s1h n LYS 106 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.13 1s1h n LYS 106 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.27 1s1h n LYS 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1h s ALA 107 N -2.00 -0.10 0.08 3.14 0.00 -1.26 -4.33 121.76 117.28 1s1h s ALA 107 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 1s1h s ALA 107 Cb 0.00 1.07 -0.17 0.00 0.00 0.00 0.00 23.12 24.02 1s1h s ALA 107 CO 0.00 -0.85 1.64 0.74 0.00 0.00 0.00 175.76 177.30 1s1h h PHE 108 N 2.23 -0.70 0.00 0.00 -1.00 -2.03 -3.46 116.94 111.97 1s1h h PHE 108 Ca -0.27 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1s1h h PHE 108 Cb 1.25 0.24 0.00 0.00 3.61 0.00 0.00 35.95 41.05 1s1h h PHE 108 CO 0.59 -0.42 0.00 0.25 -1.61 0.00 0.00 178.31 177.11 1s1h n THR 109 N -5.41 0.00 -1.66 -1.55 -2.24 -1.26 -5.08 114.28 97.08 1s1h n THR 109 Ca -0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 1s1h n THR 109 Cb 0.31 -0.05 0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1s1h n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s1h n SER 110 N -0.37 1.34 -4.67 3.42 7.64 -1.26 -4.91 113.62 114.81 1s1h n SER 110 Ca 0.00 0.83 -0.41 0.00 1.01 0.00 0.00 58.87 60.31 1s1h n SER 110 Cb 0.00 -1.45 -0.05 0.00 -1.01 0.00 0.00 64.21 61.70 1s1h n SER 110 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1s1h s TYR 111 N -1.45 3.42 0.00 1.43 2.02 -1.26 -4.70 117.35 116.82 1s1h s TYR 111 Ca 0.77 1.14 0.00 0.00 -0.37 0.00 0.00 57.07 58.62 1s1h s TYR 111 Cb -0.41 -2.92 0.00 0.00 -0.40 0.00 0.00 41.96 38.23 1s1h s TYR 111 CO 0.45 -0.18 0.12 -0.25 -1.57 0.00 0.00 175.55 174.12 1s1h n ASP 112 N 5.01 0.00 -0.04 2.29 8.00 -1.26 -4.60 116.55 125.94 1s1h n ASP 112 Ca 0.02 0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 1s1h n ASP 112 Cb 0.49 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.45 1s1h n ASP 112 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1s1h n ARG 113 N -0.16 0.69 -3.66 -1.24 1.74 -1.26 -4.99 116.66 107.77 1s1h n ARG 113 Ca 0.00 0.21 -0.30 0.00 -0.77 0.00 0.00 57.85 56.99 1s1h n ARG 113 Cb 0.00 -1.67 0.04 0.00 -1.02 0.00 0.00 32.46 29.81 1s1h n ARG 113 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1s1h n THR 114 N -3.21 -5.95 0.20 0.55 -1.04 -1.26 -4.89 114.28 98.67 1s1h n THR 114 Ca -0.31 -0.96 0.05 0.00 -2.04 0.00 0.00 64.05 60.80 1s1h n THR 114 Cb 1.05 -4.42 0.41 0.00 -1.82 0.00 0.00 70.33 65.55 1s1h n THR 114 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1s1h h LEU 115 N -1.83 0.00 -0.75 -4.42 3.38 -1.78 -3.04 115.31 106.87 1s1h h LEU 115 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1s1h h LEU 115 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1s1h h LEU 115 CO 0.49 0.34 0.00 -0.11 0.09 0.00 0.00 178.44 179.25 1s1h n LEU 116 N -3.75 0.58 -4.93 1.67 7.94 -1.24 -4.66 117.00 112.61 1s1h n LEU 116 Ca -0.01 0.66 -0.27 0.00 -1.11 0.00 0.00 56.01 55.29 1s1h n LEU 116 Cb 0.43 -0.61 -0.03 0.00 0.53 0.00 0.00 43.42 43.74 1s1h n LEU 116 CO 0.36 -0.60 -0.11 -0.51 -1.11 0.00 0.00 177.39 175.42 1s1h s ILE 117 N -3.32 5.24 -0.39 1.96 2.07 -1.15 -4.83 121.20 120.78 1s1h s ILE 117 Ca 0.03 -0.70 -0.14 0.00 -1.41 0.00 0.00 60.65 58.43 1s1h s ILE 117 Cb 0.09 -3.69 0.02 0.00 0.13 0.00 0.00 42.46 39.01 1s1h s ILE 117 CO 0.34 -0.07 0.27 0.00 -1.91 0.00 0.00 174.94 173.57 1s1h s ALA 118 N -1.72 3.44 -0.17 1.50 0.00 -1.26 -5.00 121.76 118.55 1s1h s ALA 118 Ca 0.34 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 1s1h s ALA 118 Cb -0.11 -2.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.15 1s1h s ALA 118 CO 0.28 -1.36 2.15 -3.47 0.00 0.00 0.00 175.76 173.35 1s1h n ASP 119 N 5.12 3.37 0.03 0.00 -0.08 -1.26 -4.78 116.55 118.94 1s1h n ASP 119 Ca -0.11 0.43 0.12 0.00 -1.51 0.00 0.00 54.79 53.71 1s1h n ASP 119 Cb 0.47 -1.51 0.49 0.00 2.34 0.00 0.00 41.12 42.91 1s1h n ASP 119 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1s1h n SER 120 N 10.29 0.19 -4.71 1.67 2.88 -1.26 -4.31 113.62 118.37 1s1h n SER 120 Ca 0.28 0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 57.92 1s1h n SER 120 Cb 0.41 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 63.27 1s1h n SER 120 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1s1h n ARG 121 N -1.69 2.39 -4.42 -1.46 1.74 -1.26 -4.97 116.66 107.00 1s1h n ARG 121 Ca 0.05 0.85 -0.20 0.00 -0.77 0.00 0.00 57.85 57.78 1s1h n ARG 121 Cb 0.30 -2.59 -0.10 0.00 -1.02 0.00 0.00 32.46 29.04 1s1h n ARG 121 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1s1h s ARG 122 N -0.16 1.55 0.11 5.56 0.52 -1.26 -4.19 118.95 121.08 1s1h s ARG 122 Ca 0.68 -1.82 -0.28 0.00 -0.52 0.00 0.00 55.73 53.79 1s1h s ARG 122 Cb -0.58 -0.89 -0.09 0.00 0.52 0.00 0.00 34.95 33.91 1s1h s ARG 122 CO 0.46 -0.10 1.46 -1.00 0.02 0.00 0.00 175.30 176.14 1s1h h PRO 123 N 2.24 -0.30 0.00 3.54 0.13 -1.99 -3.48 132.00 132.14 1s1h h PRO 123 Ca -0.40 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1s1h h PRO 123 Cb 1.24 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1s1h h PRO 123 CO 0.68 -0.20 0.00 -1.91 -0.23 0.00 0.00 178.00 176.34 1s1h n GLU 124 N -4.96 0.00 -1.88 0.86 2.13 -1.26 -5.10 120.64 110.44 1s1h n GLU 124 Ca -0.03 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.46 1s1h n GLU 124 Cb 0.28 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.03 1s1h n GLU 124 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1s1h s PRO 125 N -5.54 2.99 -0.19 5.31 0.02 -1.26 -4.96 135.00 131.37 1s1h s PRO 125 Ca 0.00 1.35 -0.22 0.00 0.02 0.00 0.00 61.00 62.15 1s1h s PRO 125 Cb 0.00 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1s1h s PRO 125 CO 0.00 -1.09 0.68 0.15 -0.33 0.00 0.00 177.00 176.41 1s1h s LYS 126 N -4.04 4.23 0.43 5.54 1.02 -1.26 -4.66 119.74 121.01 1s1h s LYS 126 Ca 0.66 0.71 -0.16 0.00 0.02 0.00 0.00 55.97 57.21 1s1h s LYS 126 Cb -0.19 -3.58 -0.08 0.00 -0.52 0.00 0.00 37.83 33.46 1s1h s LYS 126 CO 0.39 -0.26 0.88 0.15 -0.92 0.00 0.00 175.35 175.59 1s1h s LYS 127 N 1.97 3.98 0.62 1.68 3.01 -1.26 -4.94 119.74 124.80 1s1h s LYS 127 Ca 0.31 0.82 -0.12 0.00 -1.01 0.00 0.00 55.97 55.97 1s1h s LYS 127 Cb -0.16 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.36 1s1h s LYS 127 CO 0.11 -0.08 1.03 -0.59 0.51 0.00 0.00 175.35 176.33 1s1h s PHE 128 N -2.35 3.50 0.00 3.18 -0.12 -1.26 -3.43 117.98 117.50 1s1h s PHE 128 Ca 0.57 1.34 0.00 0.00 -0.05 0.00 0.00 56.93 58.79 1s1h s PHE 128 Cb -0.10 -2.76 0.00 0.00 -0.63 0.00 0.00 43.02 39.53 1s1h s PHE 128 CO 0.25 -0.77 0.00 0.41 -0.05 0.00 0.00 175.22 175.06 1s1h n GLY 129 N -2.45 1.26 2.95 1.99 0.00 -1.26 -4.96 105.19 102.71 1s1h n GLY 129 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1s1h n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s1h s GLY 130 N -1.91 0.22 0.00 -0.02 0.00 -1.22 -4.65 107.32 99.74 1s1h s GLY 130 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 44.72 44.23 1s1h s GLY 130 CO 0.00 -0.24 1.08 0.50 0.00 0.00 0.00 173.10 174.44 1s1h h LYS 131 N 5.79 -0.62 0.19 2.90 1.57 -1.70 -3.38 116.57 121.33 1s1h h LYS 131 Ca -0.28 0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.24 1s1h h LYS 131 Cb 1.20 0.14 0.03 0.00 0.08 0.00 0.00 32.23 33.68 1s1h h LYS 131 CO 0.49 -0.32 -1.30 0.78 -0.57 0.00 0.00 179.45 178.53 1s1h h GLY 132 N -1.01 0.62 0.00 3.86 0.00 -1.89 -3.48 103.07 101.16 1s1h h GLY 132 Ca -0.07 -1.45 0.00 0.00 0.00 0.00 0.00 47.33 45.81 1s1h h GLY 132 CO 0.11 1.28 0.00 0.00 0.00 0.00 0.00 176.54 177.92 1s1h n ALA 133 N -2.70 0.00 0.01 3.60 0.00 -1.26 -4.60 120.51 115.56 1s1h n ALA 133 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 1s1h n ALA 133 Cb 1.02 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.34 1s1h n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1h h ARG 134 N 0.00 0.23 -6.67 0.00 2.47 -1.93 -3.38 114.38 105.10 1s1h h ARG 134 Ca 0.00 -0.34 -0.52 0.00 -1.26 0.00 0.00 59.98 57.86 1s1h h ARG 134 Cb 0.00 0.12 0.06 0.00 -1.65 0.00 0.00 29.97 28.50 1s1h h ARG 134 CO 0.00 1.12 1.00 -1.54 0.56 0.00 0.00 179.97 181.11 1s1h s SER 135 N -6.68 6.39 0.05 7.04 1.04 -1.26 -4.92 113.70 115.35 1s1h s SER 135 Ca -0.15 2.87 0.05 0.00 0.48 0.00 0.00 55.95 59.20 1s1h s SER 135 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1s1h s SER 135 CO 0.79 -0.96 -0.08 -0.60 0.98 0.00 0.00 173.24 173.37 1s1h s ARG 136 N 1.00 2.38 0.45 4.02 3.52 -1.26 -2.08 118.95 126.98 1s1h s ARG 136 Ca 0.73 -0.85 -0.24 0.00 -0.13 0.00 0.00 55.73 55.24 1s1h s ARG 136 Cb -0.49 -2.42 -0.07 0.00 -1.56 0.00 0.00 34.95 30.40 1s1h s ARG 136 CO 0.34 0.56 1.22 -0.59 -0.81 0.00 0.00 175.30 176.02 1s1h s PHE 137 N -1.11 2.81 0.53 5.12 -0.12 -1.26 -4.91 117.98 119.04 1s1h s PHE 137 Ca 0.20 1.49 -0.09 0.00 -0.05 0.00 0.00 56.93 58.47 1s1h s PHE 137 Cb -0.11 -3.51 -0.05 0.00 -0.63 0.00 0.00 43.02 38.73 1s1h s PHE 137 CO 0.11 -1.80 0.89 -1.14 -0.05 0.00 0.00 175.22 173.23 1s1h s GLN 138 N -2.55 3.63 0.21 1.99 2.00 -1.26 -5.08 119.66 118.60 1s1h s GLN 138 Ca 0.62 0.51 0.05 0.00 -2.00 0.00 0.00 55.36 54.54 1s1h s GLN 138 Cb -0.33 -2.24 -0.03 0.00 0.80 0.00 0.00 33.01 31.20 1s1h s GLN 138 CO 0.40 -0.33 0.28 0.15 -0.50 0.00 0.00 175.29 175.30 1s1h s LYS 139 N -4.72 3.29 0.39 1.67 -0.14 -1.26 -5.12 119.74 113.85 1s1h s LYS 139 Ca 0.52 -0.77 0.04 0.00 -1.36 0.00 0.00 55.97 54.39 1s1h s LYS 139 Cb -0.11 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.19 1s1h s LYS 139 CO 0.45 0.46 0.13 -1.12 -0.76 0.00 0.00 175.35 174.52 1s1h s SER 140 N -3.63 2.58 0.17 2.83 0.01 -1.26 -5.02 113.70 109.39 1s1h s SER 140 Ca 0.34 -1.65 -0.14 0.00 1.31 0.00 0.00 55.95 55.81 1s1h s SER 140 Cb -0.10 0.46 0.07 0.00 0.21 0.00 0.00 66.02 66.66 1s1h s SER 140 CO 0.27 -0.91 1.82 1.88 0.41 0.00 0.00 173.24 176.71 1s1h h TYR 141 N 1.87 0.69 0.00 2.43 -1.99 -2.09 -3.57 116.97 114.31 1s1h h TYR 141 Ca -0.35 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1s1h h TYR 141 Cb 1.27 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.77 1s1h h TYR 141 CO 1.40 0.46 0.00 -2.13 -0.00 0.00 0.00 178.16 177.89