#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3n n ASP 5 N 0.00 -1.57 -2.00 6.43 2.03 -1.26 -4.65 116.55 115.53 1c3n n ASP 5 Ca 0.00 0.57 -0.25 0.00 0.52 0.00 0.00 54.79 55.64 1c3n n ASP 5 Cb 0.00 -2.76 0.09 0.00 -0.72 0.00 0.00 41.12 37.73 1c3n n ASP 5 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1c3n n ILE 6 N 0.71 3.04 0.13 5.18 -5.35 -1.26 -4.73 119.36 117.08 1c3n n ILE 6 Ca -0.16 -3.21 -0.22 0.00 -0.27 0.00 0.00 62.75 58.88 1c3n n ILE 6 Cb 0.25 -0.93 -0.15 0.00 -1.74 0.00 0.00 39.64 37.07 1c3n n ILE 6 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c3n h ALA 7 N 1.77 -0.07 -2.85 -1.28 0.00 -1.94 -3.42 119.26 111.48 1c3n h ALA 7 Ca 0.46 -0.90 -0.71 0.00 0.00 0.00 0.00 54.91 53.77 1c3n h ALA 7 Cb 1.40 0.16 -0.27 0.00 0.00 0.00 0.00 17.79 19.08 1c3n h ALA 7 CO 1.06 0.80 -0.50 0.08 0.00 0.00 0.00 179.25 180.68 1c3n s VAL 8 N -2.61 4.28 -0.29 0.00 1.01 -1.26 -5.03 120.40 116.50 1c3n s VAL 8 Ca -0.08 -1.18 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 1c3n s VAL 8 Cb 0.05 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1c3n s VAL 8 CO 0.92 -0.37 -0.04 -1.10 0.00 0.00 0.00 175.10 174.52 1c3n s GLN 9 N 1.46 2.37 -0.20 2.72 -0.21 -1.26 -1.60 119.66 122.95 1c3n s GLN 9 Ca 0.02 -1.29 -0.14 0.00 0.02 0.00 0.00 55.36 53.96 1c3n s GLN 9 Cb -0.21 -3.08 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1c3n s GLN 9 CO 0.04 -0.60 0.33 0.00 -2.12 0.00 0.00 175.29 172.93 1c3n s ALA 10 N 1.20 3.57 0.00 6.09 0.00 -0.70 -4.88 121.76 127.04 1c3n s ALA 10 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1c3n s ALA 10 Cb -0.20 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1c3n s ALA 10 CO -0.02 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1c3n n GLY 11 N 3.83 0.27 3.93 0.00 0.00 -1.26 -1.12 105.19 110.84 1c3n n GLY 11 Ca -0.10 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 1c3n n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3n s PRO 12 N 0.00 1.86 -0.02 1.61 0.04 -1.26 -4.98 135.00 132.24 1c3n s PRO 12 Ca 0.00 -0.32 0.07 0.00 0.04 0.00 0.00 61.00 60.79 1c3n s PRO 12 Cb 0.00 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1c3n s PRO 12 CO 0.00 -1.50 -0.23 -1.58 0.04 0.00 0.00 177.00 173.73 1c3n s TRP 13 N -3.38 2.42 -2.68 0.56 0.51 -0.54 -4.84 118.94 110.98 1c3n s TRP 13 Ca 0.63 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 54.24 1c3n s TRP 13 Cb -0.09 -1.53 0.00 0.00 -0.81 0.00 0.00 33.47 31.04 1c3n s TRP 13 CO 0.47 0.02 0.00 0.41 -0.51 0.00 0.00 176.95 177.34 1c3n n GLY 14 N 2.37 0.57 3.98 0.98 0.00 -1.26 -2.18 105.19 109.64 1c3n n GLY 14 Ca -0.16 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 1c3n n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c3n s GLY 15 N 0.00 1.76 0.00 -0.02 0.00 -0.27 -4.89 107.32 103.91 1c3n s GLY 15 Ca 0.00 -1.57 0.24 0.00 0.00 0.00 0.00 44.72 43.39 1c3n s GLY 15 CO 0.00 -0.99 1.22 0.70 0.00 0.00 0.00 173.10 174.04 1c3n n ASN 16 N -2.98 1.42 -3.30 1.64 3.02 -1.26 -4.37 115.26 109.42 1c3n n ASN 16 Ca 0.14 -1.13 -0.22 0.00 -0.03 0.00 0.00 54.58 53.35 1c3n n ASN 16 Cb 0.60 0.45 0.18 0.00 -0.61 0.00 0.00 39.78 40.40 1c3n n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c3n n GLY 17 N 1.42 -2.43 4.49 7.41 0.00 -1.26 -4.96 105.19 109.86 1c3n n GLY 17 Ca 0.09 -1.53 0.05 0.00 0.00 0.00 0.00 46.02 44.63 1c3n n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3n n GLY 18 N -2.58 -1.69 3.52 -0.02 0.00 -1.26 -4.49 105.19 98.67 1c3n n GLY 18 Ca 0.11 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1c3n n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3n s LYS 19 N -0.69 2.43 0.10 1.61 1.02 0.10 -4.73 119.74 119.58 1c3n s LYS 19 Ca 0.00 -0.77 -0.32 0.00 0.02 0.00 0.00 55.97 54.90 1c3n s LYS 19 Cb 0.00 -2.39 -0.12 0.00 -0.52 0.00 0.00 37.83 34.80 1c3n s LYS 19 CO 0.00 0.60 1.77 -2.13 -0.92 0.00 0.00 175.35 174.67 1c3n n ARG 20 N 1.85 2.53 -4.54 1.68 3.00 -1.25 -1.72 116.66 118.20 1c3n n ARG 20 Ca -0.16 0.92 -0.25 0.00 -0.00 0.00 0.00 57.85 58.36 1c3n n ARG 20 Cb 0.52 -2.77 -0.11 0.00 0.00 0.00 0.00 32.46 30.11 1c3n n ARG 20 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1c3n s TRP 21 N 2.37 2.21 -0.28 -0.14 1.48 0.30 -4.95 118.94 119.94 1c3n s TRP 21 Ca 0.82 -0.84 -0.22 0.00 -1.06 0.00 0.00 56.10 54.80 1c3n s TRP 21 Cb -0.57 -1.52 0.08 0.00 -1.16 0.00 0.00 33.47 30.31 1c3n s TRP 21 CO 0.39 0.21 0.77 -1.17 -4.06 0.00 0.00 176.95 173.09 1c3n s LEU 22 N -3.61 -0.74 -0.12 -4.66 0.20 -1.26 -1.79 118.68 106.70 1c3n s LEU 22 Ca 0.34 1.35 -0.05 0.00 0.69 0.00 0.00 54.13 56.46 1c3n s LEU 22 Cb 0.09 2.33 0.06 0.00 -0.43 0.00 0.00 46.19 48.23 1c3n s LEU 22 CO 0.16 -0.23 0.27 -1.58 -0.29 0.00 0.00 176.35 174.68 1c3n s GLN 23 N 0.70 0.19 0.41 1.98 2.00 0.14 -4.99 119.66 120.09 1c3n s GLN 23 Ca -0.02 0.65 0.02 0.00 -2.00 0.00 0.00 55.36 54.01 1c3n s GLN 23 Cb -0.05 -0.07 -0.01 0.00 0.80 0.00 0.00 33.01 33.69 1c3n s GLN 23 CO -0.06 -0.22 0.06 0.25 -0.50 0.00 0.00 175.29 174.83 1c3n n THR 24 N 4.74 0.00 -0.18 -0.34 -2.24 -1.26 -0.95 114.28 114.05 1c3n n THR 24 Ca -0.17 -2.11 0.11 0.00 -2.27 0.00 0.00 64.05 59.61 1c3n n THR 24 Cb 0.52 0.59 0.30 0.00 -2.10 0.00 0.00 70.33 69.63 1c3n n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c3n n ALA 25 N -1.43 2.40 -3.94 6.98 0.00 -0.49 -4.96 120.51 119.07 1c3n n ALA 25 Ca -0.16 -1.20 -0.28 0.00 0.00 0.00 0.00 53.44 51.79 1c3n n ALA 25 Cb 0.56 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 1c3n n ALA 25 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c3n n HIS 26 N 1.50 -1.65 0.00 0.00 8.25 -1.26 -1.12 115.22 120.94 1c3n n HIS 26 Ca 0.23 0.64 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 1c3n n HIS 26 Cb 0.58 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 28.14 1c3n n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c3n n GLY 27 N -1.99 2.70 0.00 -1.41 0.00 -1.26 -4.61 105.19 98.63 1c3n n GLY 27 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1c3n n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3n n GLY 28 N -2.00 0.57 2.94 -0.02 0.00 -0.27 -4.57 105.19 101.84 1c3n n GLY 28 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1c3n n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3n s LYS 29 N 3.28 0.18 0.01 1.61 2.20 0.23 -4.81 119.74 122.44 1c3n s LYS 29 Ca 0.00 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 1c3n s LYS 29 Cb 0.00 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1c3n s LYS 29 CO 0.00 -0.03 1.00 0.42 -0.36 0.00 0.00 175.35 176.38 1c3n s ILE 30 N -0.82 4.77 -0.07 5.43 -1.09 -1.26 -1.05 121.20 127.11 1c3n s ILE 30 Ca -0.09 2.00 0.04 0.00 -2.23 0.00 0.00 60.65 60.37 1c3n s ILE 30 Cb -0.06 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1c3n s ILE 30 CO -0.01 0.16 0.11 0.35 -1.23 0.00 0.00 174.94 174.33 1c3n n THR 31 N 3.86 0.00 -3.70 2.92 -2.24 0.33 -4.90 114.28 110.54 1c3n n THR 31 Ca 0.06 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1c3n n THR 31 Cb 0.50 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.29 1c3n n THR 31 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c3n s SER 32 N -2.00 -0.53 -0.17 3.42 0.01 -0.83 -1.99 113.70 111.61 1c3n s SER 32 Ca -0.00 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.27 1c3n s SER 32 Cb 0.03 1.00 0.01 0.00 0.21 0.00 0.00 66.02 67.27 1c3n s SER 32 CO 0.16 -0.18 -0.20 -0.63 0.41 0.00 0.00 173.24 172.80 1c3n s ILE 33 N 0.41 2.15 -0.28 1.44 1.01 -0.24 -1.22 121.20 124.46 1c3n s ILE 33 Ca -0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1c3n s ILE 33 Cb -0.04 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1c3n s ILE 33 CO -0.01 0.54 0.10 -0.63 0.00 0.00 0.00 174.94 174.93 1c3n s ILE 34 N 1.11 4.29 -0.09 2.92 1.01 0.57 -1.21 121.20 129.80 1c3n s ILE 34 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1c3n s ILE 34 Cb -0.14 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1c3n s ILE 34 CO -0.08 0.17 -0.22 -0.63 0.00 0.00 0.00 174.94 174.18 1c3n s ILE 35 N 1.58 1.89 -0.34 2.92 1.01 -0.07 -0.46 121.20 127.72 1c3n s ILE 35 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1c3n s ILE 35 Cb -0.16 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 40.75 1c3n s ILE 35 CO 0.04 0.52 0.07 -0.54 0.00 0.00 0.00 174.94 175.03 1c3n s LYS 36 N 0.31 2.17 -0.02 2.79 1.02 -0.40 -1.07 119.74 124.54 1c3n s LYS 36 Ca -0.16 -1.52 0.03 0.00 0.02 0.00 0.00 55.97 54.34 1c3n s LYS 36 Cb -0.17 -3.31 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1c3n s LYS 36 CO 0.07 -0.80 -0.09 0.20 -0.92 0.00 0.00 175.35 173.81 1c3n s GLY 37 N 1.39 0.48 0.00 -3.33 0.00 -1.26 -0.52 107.32 104.09 1c3n s GLY 37 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1c3n s GLY 37 CO -0.03 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.49 1c3n n GLY 38 N 3.09 3.54 0.29 0.20 0.00 -1.26 -4.23 105.19 106.82 1c3n n GLY 38 Ca -0.16 -0.46 0.19 0.00 0.00 0.00 0.00 46.02 45.59 1c3n n GLY 38 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1c3n h THR 39 N 0.00 0.00 -3.24 2.61 1.35 -1.90 -2.51 112.91 109.22 1c3n h THR 39 Ca 0.00 -0.23 -0.11 0.00 -0.55 0.00 0.00 66.41 65.53 1c3n h THR 39 Cb 0.00 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1c3n h THR 39 CO 0.00 0.00 0.13 0.00 -0.25 0.00 0.00 175.52 175.40 1c3n s ILE 41 N -2.37 4.56 0.15 0.00 -1.09 -0.36 -4.50 121.20 117.58 1c3n s ILE 41 Ca 0.19 -0.18 0.11 0.00 -2.23 0.00 0.00 60.65 58.54 1c3n s ILE 41 Cb -0.03 -4.49 -0.06 0.00 -1.58 0.00 0.00 42.46 36.30 1c3n s ILE 41 CO 0.14 -1.09 1.49 -0.26 -1.23 0.00 0.00 174.94 173.99 1c3n h PHE 42 N 9.26 0.00 -1.82 3.97 -1.00 -1.11 -0.38 116.94 125.86 1c3n h PHE 42 Ca -0.27 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.51 1c3n h PHE 42 Cb 1.08 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 40.43 1c3n h PHE 42 CO 0.87 0.71 0.33 0.45 -1.61 0.00 0.00 178.31 179.06 1c3n s SER 43 N -6.69 -0.55 -0.00 2.17 0.15 -0.99 -3.58 113.70 104.20 1c3n s SER 43 Ca 0.00 0.67 -0.01 0.00 0.70 0.00 0.00 55.95 57.31 1c3n s SER 43 Cb 0.11 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1c3n s SER 43 CO 0.77 -0.46 0.02 -0.51 1.20 0.00 0.00 173.24 174.26 1c3n s ILE 44 N -0.96 0.01 0.01 6.45 2.07 -0.70 -1.28 121.20 126.80 1c3n s ILE 44 Ca -0.06 -0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.05 1c3n s ILE 44 Cb -0.01 -0.06 -0.01 0.00 0.13 0.00 0.00 42.46 42.51 1c3n s ILE 44 CO 0.05 -0.05 0.06 -1.58 -1.91 0.00 0.00 174.94 171.52 1c3n s GLN 45 N -0.13 0.39 0.06 3.50 0.74 0.39 -1.18 119.66 123.43 1c3n s GLN 45 Ca -0.02 -0.47 0.09 0.00 0.05 0.00 0.00 55.36 55.01 1c3n s GLN 45 Cb -0.01 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 1c3n s GLN 45 CO -0.00 -0.08 -0.25 -0.06 -0.55 0.00 0.00 175.29 174.34 1c3n s PHE 46 N -1.36 2.22 -0.09 1.67 0.40 -1.26 -0.32 117.98 119.24 1c3n s PHE 46 Ca -0.15 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1c3n s PHE 46 Cb -0.08 -1.30 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 1c3n s PHE 46 CO 0.00 0.16 -0.18 0.08 0.70 0.00 0.00 175.22 175.99 1c3n s VAL 47 N -0.86 2.65 0.19 -0.44 1.01 -0.36 -0.76 120.40 121.84 1c3n s VAL 47 Ca 0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1c3n s VAL 47 Cb -0.10 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1c3n s VAL 47 CO 0.03 0.56 0.21 -0.72 0.00 0.00 0.00 175.10 175.17 1c3n s TYR 48 N -0.02 0.85 0.05 5.22 -0.85 -0.90 -0.52 117.35 121.18 1c3n s TYR 48 Ca -0.05 -1.14 0.05 0.00 -0.52 0.00 0.00 57.07 55.41 1c3n s TYR 48 Cb -0.14 -0.33 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 1c3n s TYR 48 CO 0.05 -0.70 -0.15 0.15 -1.52 0.00 0.00 175.55 173.37 1c3n s LYS 49 N -4.09 1.00 0.57 -3.49 1.02 -0.21 -0.47 119.74 114.08 1c3n s LYS 49 Ca 0.30 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1c3n s LYS 49 Cb 0.05 -1.03 0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1c3n s LYS 49 CO 0.08 0.25 0.81 0.16 -0.92 0.00 0.00 175.35 175.73 1c3n s ASP 50 N -1.23 5.17 0.64 2.83 1.47 -0.78 -0.60 116.67 124.16 1c3n s ASP 50 Ca 0.02 -0.02 0.20 0.00 1.18 0.00 0.00 52.55 53.93 1c3n s ASP 50 Cb -0.08 -0.80 1.00 0.00 -0.34 0.00 0.00 42.92 42.69 1c3n s ASP 50 CO 0.02 -1.23 1.54 0.11 0.68 0.00 0.00 175.17 176.28 1c3n h LYS 51 N -0.02 0.00 -0.48 2.11 1.79 -1.81 0.43 116.57 118.58 1c3n h LYS 51 Ca -0.42 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.02 1c3n h LYS 51 Cb 1.30 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 1c3n h LYS 51 CO 0.52 0.00 0.04 -0.25 -1.08 0.00 0.00 179.45 178.67 1c3n n ASP 52 N -2.98 4.87 -1.23 0.86 8.00 -1.26 -4.94 116.55 119.87 1c3n n ASP 52 Ca 0.05 -3.04 -0.15 0.00 0.71 0.00 0.00 54.79 52.35 1c3n n ASP 52 Cb 0.81 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1c3n n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1c3n n ASN 53 N 0.05 -4.82 -4.76 -2.24 3.02 0.15 -4.99 115.26 101.67 1c3n n ASN 53 Ca 0.28 0.34 -0.40 0.00 -0.03 0.00 0.00 54.58 54.77 1c3n n ASN 53 Cb 1.12 -3.70 -0.06 0.00 -0.61 0.00 0.00 39.78 36.53 1c3n n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1c3n s ILE 54 N -2.59 4.46 0.06 2.41 1.01 -1.25 -4.80 121.20 120.50 1c3n s ILE 54 Ca 0.00 1.74 -0.20 0.00 0.00 0.00 0.00 60.65 62.20 1c3n s ILE 54 Cb 0.00 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1c3n s ILE 54 CO 0.00 0.46 0.57 -0.70 0.00 0.00 0.00 174.94 175.28 1c3n s GLU 55 N -0.75 4.22 0.09 2.79 2.12 -1.26 -1.86 118.70 124.06 1c3n s GLU 55 Ca 0.38 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.48 1c3n s GLU 55 Cb -0.23 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1c3n s GLU 55 CO 0.26 0.60 -0.08 0.71 -0.54 0.00 0.00 175.26 176.21 1c3n s TYR 56 N -0.98 0.96 -0.00 5.30 1.51 0.38 -4.99 117.35 119.53 1c3n s TYR 56 Ca 0.29 -0.75 0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1c3n s TYR 56 Cb -0.19 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 1c3n s TYR 56 CO 0.19 -0.06 -0.21 -1.01 -1.11 0.00 0.00 175.55 173.34 1c3n s HIS 57 N -2.86 1.88 0.68 2.71 3.76 -1.26 -2.12 115.29 118.08 1c3n s HIS 57 Ca 0.07 -0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1c3n s HIS 57 Cb 0.00 -1.19 0.07 0.00 1.11 0.00 0.00 32.58 32.57 1c3n s HIS 57 CO -0.02 -0.01 0.97 -1.54 -0.85 0.00 0.00 174.74 173.30 1c3n s SER 58 N -0.63 4.76 1.07 1.40 1.04 0.06 -5.02 113.70 116.40 1c3n s SER 58 Ca 0.08 0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 1c3n s SER 58 Cb -0.08 -0.85 0.24 0.00 0.10 0.00 0.00 66.02 65.43 1c3n s SER 58 CO -0.00 -1.59 1.21 0.61 0.98 0.00 0.00 173.24 174.45 1c3n n GLY 59 N -2.82 -1.89 3.78 7.32 0.00 -1.26 -4.68 105.19 105.64 1c3n n GLY 59 Ca 0.09 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1c3n n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3n s LYS 60 N -5.68 4.27 -0.49 1.61 1.02 -1.26 -4.58 119.74 114.63 1c3n s LYS 60 Ca 0.71 0.70 -0.09 0.00 0.02 0.00 0.00 55.97 57.32 1c3n s LYS 60 Cb -0.03 -3.31 0.12 0.00 -0.52 0.00 0.00 37.83 34.09 1c3n s LYS 60 CO 0.52 0.44 0.35 -0.06 -0.92 0.00 0.00 175.35 175.68 1c3n s PHE 61 N -0.42 3.45 0.00 3.18 0.40 -0.32 -4.76 117.98 119.51 1c3n s PHE 61 Ca 0.30 -1.95 0.00 0.00 -0.60 0.00 0.00 56.93 54.68 1c3n s PHE 61 Cb -0.18 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 39.86 1c3n s PHE 61 CO 0.17 -0.99 0.00 0.41 0.70 0.00 0.00 175.22 175.51 1c3n n GLY 62 N 4.80 2.75 0.38 4.36 0.00 -1.26 -1.72 105.19 114.51 1c3n n GLY 62 Ca -0.06 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.85 1c3n n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1c3n n VAL 63 N 1.14 0.00 -1.95 1.61 0.24 -0.71 -4.42 118.33 114.23 1c3n n VAL 63 Ca 0.00 -0.38 -0.18 0.00 -2.04 0.00 0.00 64.34 61.74 1c3n n VAL 63 Cb 0.00 1.20 0.12 0.00 -1.47 0.00 0.00 33.84 33.69 1c3n n VAL 63 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1c3n n LEU 64 N 0.04 0.00 0.00 1.34 4.77 -0.39 -5.02 117.00 117.74 1c3n n LEU 64 Ca 0.07 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1c3n n LEU 64 Cb 0.32 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1c3n n LEU 64 CO 0.16 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 175.81 1c3n n GLY 65 N -0.62 -1.00 0.17 -0.72 0.00 -1.26 -4.29 105.19 97.47 1c3n n GLY 65 Ca 0.11 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1c3n n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c3n n ASP 66 N -0.62 0.00 -4.39 1.61 5.68 -1.26 -5.04 116.55 112.53 1c3n n ASP 66 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.96 1c3n n ASP 66 Cb 0.00 -0.21 0.12 0.00 -1.14 0.00 0.00 41.12 39.89 1c3n n ASP 66 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1c3n n LYS 67 N -2.03 -0.43 -3.70 0.11 2.85 -1.26 -5.03 118.16 108.66 1c3n n LYS 67 Ca 0.00 -0.09 -0.14 0.00 -1.05 0.00 0.00 58.31 57.03 1c3n n LYS 67 Cb 0.00 -1.82 -0.09 0.00 -0.65 0.00 0.00 35.03 32.48 1c3n n LYS 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c3n s ALA 68 N -2.37 -1.07 -0.07 0.58 0.00 -1.26 -4.53 121.76 113.04 1c3n s ALA 68 Ca 0.56 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.41 1c3n s ALA 68 Cb -0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1c3n s ALA 68 CO 0.68 -0.26 -0.24 -1.21 0.00 0.00 0.00 175.76 174.72 1c3n s GLU 69 N -0.75 2.66 -0.04 0.00 2.02 -0.23 -4.99 118.70 117.36 1c3n s GLU 69 Ca -0.08 -0.89 0.04 0.00 0.02 0.00 0.00 54.97 54.05 1c3n s GLU 69 Cb -0.04 -2.20 -0.00 0.00 0.10 0.00 0.00 34.13 31.99 1c3n s GLU 69 CO 0.04 0.35 -0.15 0.99 0.02 0.00 0.00 175.26 176.51 1c3n s THR 70 N -0.07 1.28 -0.16 3.63 2.01 -1.26 -0.89 115.64 120.18 1c3n s THR 70 Ca -0.06 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1c3n s THR 70 Cb -0.15 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 1c3n s THR 70 CO 0.05 0.37 -0.15 0.27 -0.69 0.00 0.00 174.62 174.48 1c3n s ILE 71 N 0.14 2.72 -0.17 1.82 -4.36 -0.35 -4.98 121.20 116.03 1c3n s ILE 71 Ca -0.05 -0.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.60 1c3n s ILE 71 Cb -0.11 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1c3n s ILE 71 CO 0.02 0.51 -0.19 -0.89 0.24 0.00 0.00 174.94 174.63 1c3n s THR 72 N 0.82 1.97 0.26 8.37 2.01 -1.26 -1.08 115.64 126.73 1c3n s THR 72 Ca -0.05 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.84 1c3n s THR 72 Cb -0.15 -1.78 -0.09 0.00 0.01 0.00 0.00 72.50 70.49 1c3n s THR 72 CO 0.00 0.53 0.82 -0.36 -0.69 0.00 0.00 174.62 174.91 1c3n s PHE 73 N 1.24 3.67 0.90 4.92 2.99 -0.84 -5.03 117.98 125.82 1c3n s PHE 73 Ca 0.03 1.55 -0.11 0.00 0.00 0.00 0.00 56.93 58.40 1c3n s PHE 73 Cb -0.13 -2.75 0.13 0.00 0.00 0.00 0.00 43.02 40.27 1c3n s PHE 73 CO -0.11 0.28 1.09 0.00 -0.00 0.00 0.00 175.22 176.49 1c3n s ALA 74 N -1.56 1.50 0.50 5.36 0.00 -1.26 -4.93 121.76 121.37 1c3n s ALA 74 Ca 0.46 -0.04 0.17 0.00 0.00 0.00 0.00 51.96 52.55 1c3n s ALA 74 Cb -0.17 -3.20 1.23 0.00 0.00 0.00 0.00 23.12 20.98 1c3n s ALA 74 CO 0.22 -2.39 2.08 0.93 0.00 0.00 0.00 175.76 176.59 1c3n h GLU 75 N -1.58 0.11 -0.31 0.00 4.39 -2.00 -2.29 114.58 112.90 1c3n h GLU 75 Ca -0.49 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1c3n h GLU 75 Cb 1.28 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1c3n h GLU 75 CO 0.54 0.07 0.00 -0.40 -1.16 0.00 0.00 179.01 178.06 1c3n n ASP 76 N -4.48 4.16 -4.58 1.42 3.85 -1.26 -4.95 116.55 110.71 1c3n n ASP 76 Ca 0.03 -3.00 -0.34 0.00 -0.71 0.00 0.00 54.79 50.76 1c3n n ASP 76 Cb 0.26 -0.57 -0.11 0.00 -1.35 0.00 0.00 41.12 39.36 1c3n n ASP 76 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1c3n s GLU 77 N -2.82 3.73 0.01 0.11 2.12 -0.86 -4.96 118.70 116.03 1c3n s GLU 77 Ca 0.44 -0.43 0.04 0.00 0.36 0.00 0.00 54.97 55.38 1c3n s GLU 77 Cb 0.35 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 1c3n s GLU 77 CO 0.10 0.31 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.50 1c3n s ASP 78 N 0.22 1.36 0.25 -1.70 1.01 -1.26 -4.71 116.67 111.84 1c3n s ASP 78 Ca 0.01 -0.30 -0.31 0.00 0.71 0.00 0.00 52.55 52.66 1c3n s ASP 78 Cb -0.13 -0.12 -0.11 0.00 1.01 0.00 0.00 42.92 43.57 1c3n s ASP 78 CO 0.02 0.08 1.58 -0.63 0.21 0.00 0.00 175.17 176.43 1c3n s ILE 79 N -0.52 2.26 -0.09 0.77 1.01 -1.26 -2.31 121.20 121.06 1c3n s ILE 79 Ca 0.02 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.90 1c3n s ILE 79 Cb -0.06 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1c3n s ILE 79 CO 0.00 0.03 0.09 0.35 0.00 0.00 0.00 174.94 175.41 1c3n n THR 80 N 2.84 0.00 -3.59 2.92 -2.24 0.13 -4.51 114.28 109.83 1c3n n THR 80 Ca 0.10 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1c3n n THR 80 Cb 0.38 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1c3n n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c3n s ALA 81 N -1.39 -1.94 -0.05 6.98 0.00 -0.82 -0.85 121.76 123.69 1c3n s ALA 81 Ca 0.01 1.65 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1c3n s ALA 81 Cb 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1c3n s ALA 81 CO 0.10 -0.29 -0.16 -1.50 0.00 0.00 0.00 175.76 173.91 1c3n s ILE 82 N -0.79 1.34 0.24 0.00 2.07 -0.88 -1.01 121.20 122.17 1c3n s ILE 82 Ca -0.01 -0.65 -0.09 0.00 -1.41 0.00 0.00 60.65 58.49 1c3n s ILE 82 Cb -0.02 -1.16 -0.01 0.00 0.13 0.00 0.00 42.46 41.40 1c3n s ILE 82 CO -0.00 0.39 0.38 -0.94 -1.91 0.00 0.00 174.94 172.86 1c3n s SER 83 N 0.16 0.03 0.00 4.50 1.04 -0.63 -0.36 113.70 118.44 1c3n s SER 83 Ca -0.06 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1c3n s SER 83 Cb -0.12 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1c3n s SER 83 CO 0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1c3n n GLY 84 N -0.36 -0.67 3.18 7.32 0.00 -0.13 -0.30 105.19 114.24 1c3n n GLY 84 Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1c3n n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c3n s THR 85 N -3.62 0.09 0.10 2.61 -4.23 -0.69 -1.79 115.64 108.10 1c3n s THR 85 Ca 0.00 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1c3n s THR 85 Cb 0.00 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 1c3n s THR 85 CO 0.00 -0.40 -0.11 0.72 -0.54 0.00 0.00 174.62 174.30 1c3n s PHE 86 N -1.97 1.12 -0.19 3.99 -0.12 -0.21 -0.04 117.98 120.56 1c3n s PHE 86 Ca -0.10 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 1c3n s PHE 86 Cb -0.04 -0.61 0.00 0.00 -0.63 0.00 0.00 43.02 41.75 1c3n s PHE 86 CO -0.00 0.03 0.00 0.41 -0.05 0.00 0.00 175.22 175.60 1c3n n GLY 87 N 0.52 -0.77 3.79 1.99 0.00 -0.60 -3.54 105.19 106.58 1c3n n GLY 87 Ca -0.16 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1c3n n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c3n s ALA 88 N -1.00 3.05 -0.29 4.61 0.00 -1.25 -1.38 121.76 125.49 1c3n s ALA 88 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1c3n s ALA 88 Cb 0.00 -3.23 0.16 0.00 0.00 0.00 0.00 23.12 20.05 1c3n s ALA 88 CO 0.00 -0.12 0.41 -0.47 0.00 0.00 0.00 175.76 175.58 1c3n s TYR 89 N -1.82 -1.02 0.00 0.00 5.04 0.13 -4.89 117.35 114.79 1c3n s TYR 89 Ca 0.60 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1c3n s TYR 89 Cb -0.18 -0.15 0.00 0.00 0.35 0.00 0.00 41.96 41.98 1c3n s TYR 89 CO 0.23 -0.99 0.00 0.66 -1.34 0.00 0.00 175.55 174.11 1c3n n TYR 90 N 5.35 0.00 -0.37 4.97 4.02 -1.26 -1.11 117.16 128.76 1c3n n TYR 90 Ca 0.01 0.00 0.34 0.00 -0.01 0.00 0.00 57.90 58.23 1c3n n TYR 90 Cb 0.49 0.02 0.59 0.00 -0.02 0.00 0.00 39.34 40.42 1c3n n TYR 90 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1c3n n HIS 91 N 14.00 0.90 -4.00 -0.72 -0.00 -1.26 -4.83 115.22 119.32 1c3n n HIS 91 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.63 1c3n n HIS 91 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.66 1c3n n HIS 91 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1c3n n MET 92 N -4.89 0.93 -4.06 1.57 0.00 -0.27 -5.13 117.12 105.27 1c3n n MET 92 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.72 1c3n n MET 92 Cb 1.33 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 34.43 1c3n n MET 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1c3n s THR 93 N -1.53 4.02 0.25 3.17 2.01 -1.26 0.20 115.64 122.50 1c3n s THR 93 Ca 0.00 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.61 1c3n s THR 93 Cb 0.00 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1c3n s THR 93 CO 0.00 0.43 0.42 0.68 -0.69 0.00 0.00 174.62 175.46 1c3n s VAL 94 N 0.98 0.00 -0.11 3.82 -7.23 -0.48 -2.83 120.40 114.55 1c3n s VAL 94 Ca 0.02 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1c3n s VAL 94 Cb -0.14 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1c3n s VAL 94 CO 0.02 0.00 1.35 -0.69 -0.31 0.00 0.00 175.10 175.47 1c3n s VAL 95 N -3.93 4.07 -0.15 1.32 1.01 -0.64 -1.55 120.40 120.52 1c3n s VAL 95 Ca 0.26 1.33 0.17 0.00 0.00 0.00 0.00 61.98 63.74 1c3n s VAL 95 Cb 0.01 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.28 1c3n s VAL 95 CO 0.11 -0.09 0.25 0.35 0.00 0.00 0.00 175.10 175.72 1c3n n THR 96 N 5.21 1.41 -3.70 3.92 -2.24 0.94 -1.23 114.28 118.59 1c3n n THR 96 Ca 0.14 -0.83 -0.11 0.00 -2.27 0.00 0.00 64.05 60.98 1c3n n THR 96 Cb 0.44 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 1c3n n THR 96 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c3n s SER 97 N -5.62 -0.19 0.03 3.42 1.04 -1.04 -0.35 113.70 110.99 1c3n s SER 97 Ca -0.08 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1c3n s SER 97 Cb 0.07 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1c3n s SER 97 CO 0.83 -0.72 -0.06 -0.76 0.98 0.00 0.00 173.24 173.51 1c3n s LEU 98 N -2.36 2.25 -0.02 2.42 1.43 -0.18 -1.71 118.68 120.51 1c3n s LEU 98 Ca -0.02 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1c3n s LEU 98 Cb 0.01 -0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.18 1c3n s LEU 98 CO -0.07 -0.24 0.03 -0.89 0.23 0.00 0.00 176.35 175.41 1c3n s THR 99 N -1.42 -0.05 -0.06 5.49 2.01 0.59 -1.26 115.64 120.94 1c3n s THR 99 Ca -0.12 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1c3n s THR 99 Cb -0.10 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1c3n s THR 99 CO -0.00 0.09 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.51 1c3n s PHE 100 N 1.01 2.72 -0.01 4.92 0.40 0.23 -1.60 117.98 125.65 1c3n s PHE 100 Ca -0.08 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1c3n s PHE 100 Cb -0.12 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1c3n s PHE 100 CO -0.03 0.14 -0.23 -1.14 0.70 0.00 0.00 175.22 174.66 1c3n s GLN 101 N -0.59 1.83 0.41 0.44 0.74 -0.18 0.33 119.66 122.65 1c3n s GLN 101 Ca 0.08 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.67 1c3n s GLN 101 Cb -0.11 -1.80 -0.01 0.00 1.10 0.00 0.00 33.01 32.19 1c3n s GLN 101 CO 0.01 0.49 0.09 0.25 -0.55 0.00 0.00 175.29 175.59 1c3n n THR 102 N 2.42 0.00 1.22 -0.34 -2.24 -0.61 0.18 114.28 114.91 1c3n n THR 102 Ca -0.16 -2.25 0.04 0.00 -2.27 0.00 0.00 64.05 59.41 1c3n n THR 102 Cb 0.52 0.70 0.22 0.00 -2.10 0.00 0.00 70.33 69.66 1c3n n THR 102 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1c3n n ASN 103 N -1.47 0.00 -0.00 3.42 6.94 -0.98 -3.53 115.26 119.64 1c3n n ASN 103 Ca -0.10 -0.99 -0.00 0.00 -0.02 0.00 0.00 54.58 53.47 1c3n n ASN 103 Cb 0.59 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1c3n n ASN 103 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1c3n n LYS 104 N -0.69 0.00 -3.84 -3.83 4.76 -1.26 -5.00 118.16 108.30 1c3n n LYS 104 Ca 0.05 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.43 1c3n n LYS 104 Cb 0.03 -0.90 0.03 0.00 -1.84 0.00 0.00 35.03 32.34 1c3n n LYS 104 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1c3n s LYS 105 N -2.00 1.88 -0.14 1.97 -2.85 -1.23 -5.15 119.74 112.22 1c3n s LYS 105 Ca -0.00 -1.22 -0.04 0.00 -1.00 0.00 0.00 55.97 53.71 1c3n s LYS 105 Cb 0.00 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 1c3n s LYS 105 CO 0.00 -0.88 -0.01 0.08 0.10 0.00 0.00 175.35 174.64 1c3n s VAL 106 N -2.11 4.15 -0.13 1.79 1.01 -1.26 -1.57 120.40 122.28 1c3n s VAL 106 Ca 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1c3n s VAL 106 Cb -0.04 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1c3n s VAL 106 CO 0.09 0.51 -0.07 -0.31 0.00 0.00 0.00 175.10 175.33 1c3n s TYR 107 N 0.07 2.95 0.00 5.22 1.51 0.15 -4.98 117.35 122.27 1c3n s TYR 107 Ca 0.01 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1c3n s TYR 107 Cb -0.13 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1c3n s TYR 107 CO 0.02 0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1c3n n GLY 108 N 3.17 -1.42 3.75 0.71 0.00 -1.26 -0.60 105.19 109.53 1c3n n GLY 108 Ca -0.18 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 1c3n n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3n s PRO 109 N 0.00 2.59 -0.06 1.61 0.04 -1.26 -5.00 135.00 132.93 1c3n s PRO 109 Ca 0.00 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.75 1c3n s PRO 109 Cb 0.00 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1c3n s PRO 109 CO 0.00 -1.46 -0.21 -0.06 0.04 0.00 0.00 177.00 175.31 1c3n s PHE 110 N -1.99 2.54 0.00 0.56 0.40 -0.39 -4.94 117.98 114.17 1c3n s PHE 110 Ca 0.73 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1c3n s PHE 110 Cb -0.27 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1c3n s PHE 110 CO 0.40 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.66 1c3n n GLY 111 N 2.74 -0.16 3.06 4.36 0.00 -1.26 -1.01 105.19 112.91 1c3n n GLY 111 Ca -0.17 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 1c3n n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c3n s THR 112 N 0.00 1.39 -0.40 2.61 2.01 0.52 -4.78 115.64 116.99 1c3n s THR 112 Ca 0.00 -0.60 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 1c3n s THR 112 Cb 0.00 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 1c3n s THR 112 CO 0.00 0.41 1.57 -0.69 -0.69 0.00 0.00 174.62 175.23 1c3n s VAL 113 N 0.79 3.71 0.00 3.82 1.01 -1.26 -3.55 120.40 124.93 1c3n s VAL 113 Ca -0.11 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1c3n s VAL 113 Cb -0.16 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1c3n s VAL 113 CO 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 175.10 174.44 1c3n n ALA 114 N 9.59 0.00 -0.01 5.51 0.00 -1.26 -5.07 120.51 129.27 1c3n n ALA 114 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1c3n n ALA 114 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 1c3n n ALA 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c3n h SER 115 N 0.00 -0.07 -3.36 0.00 0.87 -1.95 -3.45 113.55 105.59 1c3n h SER 115 Ca 0.00 -0.58 -0.57 0.00 -1.23 0.00 0.00 61.79 59.42 1c3n h SER 115 Cb 0.00 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 1c3n h SER 115 CO 0.00 0.62 0.07 -0.44 -0.53 0.00 0.00 176.83 176.56 1c3n s SER 116 N -5.78 6.92 0.37 6.23 0.01 -1.23 -4.99 113.70 115.22 1c3n s SER 116 Ca -0.15 1.11 0.08 0.00 1.31 0.00 0.00 55.95 58.31 1c3n s SER 116 Cb -0.01 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 1c3n s SER 116 CO 0.56 -0.13 0.03 -0.94 0.41 0.00 0.00 173.24 173.17 1c3n s SER 117 N 0.82 4.10 0.03 2.44 1.04 -1.26 -1.05 113.70 119.83 1c3n s SER 117 Ca 0.35 -1.11 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 1c3n s SER 117 Cb -0.17 -0.47 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 1c3n s SER 117 CO 0.16 -0.33 0.11 0.72 0.98 0.00 0.00 173.24 174.88 1c3n s PHE 118 N -2.58 0.15 -0.08 5.02 -0.12 -0.74 -4.96 117.98 114.67 1c3n s PHE 118 Ca 0.36 -0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 56.79 1c3n s PHE 118 Cb 0.03 -0.11 0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1c3n s PHE 118 CO 0.19 -0.35 0.18 0.45 -0.05 0.00 0.00 175.22 175.64 1c3n s SER 119 N -1.96 -0.17 -0.42 1.98 0.15 -1.26 -0.96 113.70 111.06 1c3n s SER 119 Ca -0.07 0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.98 1c3n s SER 119 Cb -0.03 0.29 0.14 0.00 -1.71 0.00 0.00 66.02 64.71 1c3n s SER 119 CO -0.03 -0.14 0.26 -0.22 1.20 0.00 0.00 173.24 174.30 1c3n s LEU 120 N 1.02 2.07 0.22 3.45 2.96 0.51 -4.99 118.68 123.92 1c3n s LEU 120 Ca -0.08 -2.60 0.00 0.00 -0.22 0.00 0.00 54.13 51.24 1c3n s LEU 120 Cb -0.09 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1c3n s LEU 120 CO -0.06 -0.26 0.40 -2.16 -1.32 0.00 0.00 176.35 172.95 1c3n s PRO 121 N 0.46 3.51 -0.21 0.98 0.04 -1.26 -2.08 135.00 136.44 1c3n s PRO 121 Ca 0.20 -0.39 -0.01 0.00 0.04 0.00 0.00 61.00 60.84 1c3n s PRO 121 Cb -0.19 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.53 1c3n s PRO 121 CO -0.03 0.38 -0.12 -0.51 0.04 0.00 0.00 177.00 176.76 1c3n s LEU 122 N -3.48 2.59 0.13 -3.56 1.43 -0.03 -4.93 118.68 110.82 1c3n s LEU 122 Ca 0.38 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1c3n s LEU 122 Cb -0.11 -1.60 -0.13 0.00 0.03 0.00 0.00 46.19 44.39 1c3n s LEU 122 CO 0.30 -0.03 1.30 0.74 0.23 0.00 0.00 176.35 178.88 1c3n h THR 123 N 5.91 1.57 -3.34 5.49 2.02 -1.99 -3.46 112.91 119.12 1c3n h THR 123 Ca -0.42 -2.98 -0.19 0.00 0.77 0.00 0.00 66.41 63.60 1c3n h THR 123 Cb 1.14 2.70 -0.26 0.00 -1.74 0.00 0.00 68.15 69.98 1c3n h THR 123 CO 0.61 0.86 -0.53 -0.75 0.37 0.00 0.00 175.52 176.09 1c3n s LYS 124 N -2.93 0.19 0.00 6.66 2.47 -1.26 -5.12 119.74 119.75 1c3n s LYS 124 Ca -0.02 0.22 0.00 0.00 -1.56 0.00 0.00 55.97 54.61 1c3n s LYS 124 Cb 0.09 0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.56 1c3n s LYS 124 CO 0.84 -0.02 0.00 0.41 0.16 0.00 0.00 175.35 176.73 1c3n n GLY 125 N 2.98 0.88 3.25 5.54 0.00 -1.26 -4.97 105.19 111.60 1c3n n GLY 125 Ca -0.13 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 1c3n n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3n s LYS 126 N -1.23 1.27 -0.40 1.61 -0.14 0.53 -4.95 119.74 116.42 1c3n s LYS 126 Ca 0.00 -1.67 -0.15 0.00 -1.36 0.00 0.00 55.97 52.79 1c3n s LYS 126 Cb 0.00 -0.01 0.02 0.00 -1.68 0.00 0.00 37.83 36.15 1c3n s LYS 126 CO 0.00 -0.32 0.31 -0.06 -0.76 0.00 0.00 175.35 174.52 1c3n s PHE 127 N -3.93 3.23 0.11 3.18 0.40 -1.26 -1.30 117.98 118.41 1c3n s PHE 127 Ca 0.36 -0.52 0.29 0.00 -0.60 0.00 0.00 56.93 56.46 1c3n s PHE 127 Cb 0.07 -2.61 1.17 0.00 0.51 0.00 0.00 43.02 42.17 1c3n s PHE 127 CO 0.11 -0.57 1.92 0.00 0.70 0.00 0.00 175.22 177.38 1c3n h ALA 128 N 8.62 1.02 0.00 5.36 0.00 -1.00 -3.44 119.26 129.82 1c3n h ALA 128 Ca -0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1c3n h ALA 128 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1c3n h ALA 128 CO 0.73 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1c3n n GLY 129 N 0.08 -0.52 3.35 0.00 0.00 -1.00 -1.40 105.19 105.70 1c3n n GLY 129 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 1c3n n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c3n s PHE 130 N -3.43 1.62 0.15 1.61 0.08 -0.12 -0.56 117.98 117.33 1c3n s PHE 130 Ca 0.00 -1.36 -0.24 0.00 0.12 0.00 0.00 56.93 55.44 1c3n s PHE 130 Cb 0.00 -0.88 0.07 0.00 -0.57 0.00 0.00 43.02 41.64 1c3n s PHE 130 CO 0.00 -0.51 0.73 -0.59 -0.10 0.00 0.00 175.22 174.75 1c3n s PHE 131 N -3.57 -0.38 -3.62 0.36 -0.12 -1.04 -0.69 117.98 108.92 1c3n s PHE 131 Ca 0.35 0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.36 1c3n s PHE 131 Cb 0.05 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 43.03 1c3n s PHE 131 CO 0.18 -0.86 0.00 0.41 -0.05 0.00 0.00 175.22 174.90 1c3n n GLY 132 N -0.38 -0.57 3.26 1.99 0.00 -0.74 0.08 105.19 108.84 1c3n n GLY 132 Ca -0.11 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 1c3n n GLY 132 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c3n s ASN 133 N -4.00 2.46 0.03 1.61 -0.87 -1.01 0.11 114.94 113.27 1c3n s ASN 133 Ca 0.00 -0.61 -0.23 0.00 -1.57 0.00 0.00 52.86 50.45 1c3n s ASN 133 Cb 0.00 -0.16 0.05 0.00 -0.02 0.00 0.00 41.25 41.12 1c3n s ASN 133 CO 0.00 0.10 0.53 -0.94 -2.57 0.00 0.00 177.10 174.22 1c3n s SER 134 N -1.57 -0.46 0.00 -1.22 1.04 -0.70 -1.72 113.70 109.07 1c3n s SER 134 Ca 0.06 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1c3n s SER 134 Cb -0.09 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1c3n s SER 134 CO 0.03 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1c3n n GLY 135 N 0.51 2.52 0.30 7.32 0.00 -1.26 -0.72 105.19 113.85 1c3n n GLY 135 Ca -0.19 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1c3n n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1c3n h ASP 136 N 0.00 0.94 -4.70 1.61 3.45 -1.95 -2.94 116.42 112.83 1c3n h ASP 136 Ca 0.00 -0.26 -0.51 0.00 0.43 0.00 0.00 57.03 56.69 1c3n h ASP 136 Cb 0.00 -0.25 -0.11 0.00 -0.56 0.00 0.00 39.33 38.40 1c3n h ASP 136 CO 0.00 1.00 -0.43 1.33 -1.57 0.00 0.00 179.24 179.58 1c3n n VAL 137 N -4.18 0.00 -2.68 -1.35 0.24 -1.26 -1.27 118.33 107.83 1c3n n VAL 137 Ca 0.03 -2.18 -0.42 0.00 -2.04 0.00 0.00 64.34 59.72 1c3n n VAL 137 Cb 0.34 0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 1c3n n VAL 137 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1c3n s LEU 138 N 0.00 3.82 0.17 1.34 2.96 -0.15 -4.44 118.68 122.37 1c3n s LEU 138 Ca 0.18 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 52.92 1c3n s LEU 138 Cb 0.01 -2.50 0.10 0.00 0.50 0.00 0.00 46.19 44.30 1c3n s LEU 138 CO 0.13 -1.55 1.79 0.44 -1.32 0.00 0.00 176.35 175.83 1c3n h ASP 139 N 9.70 0.35 -5.02 3.68 3.32 -1.66 -1.71 116.42 125.08 1c3n h ASP 139 Ca -0.11 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1c3n h ASP 139 Cb 1.04 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.43 1c3n h ASP 139 CO 1.27 0.25 0.15 -0.94 -1.72 0.00 0.00 179.24 178.24 1c3n s SER 140 N -5.48 -0.50 -0.07 6.45 1.04 -0.95 -1.11 113.70 113.08 1c3n s SER 140 Ca -0.13 -0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.11 1c3n s SER 140 Cb 0.13 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.85 1c3n s SER 140 CO 0.73 -0.94 0.34 -0.51 0.98 0.00 0.00 173.24 173.84 1c3n s ILE 141 N -3.70 0.03 0.24 -1.02 2.07 -0.93 -2.40 121.20 115.50 1c3n s ILE 141 Ca 0.01 -0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.06 1c3n s ILE 141 Cb -0.00 -0.57 -0.02 0.00 0.13 0.00 0.00 42.46 42.00 1c3n s ILE 141 CO -0.12 -0.13 0.23 0.61 -1.91 0.00 0.00 174.94 173.62 1c3n n GLY 142 N 2.03 3.08 3.46 1.50 0.00 0.11 -1.47 105.19 113.90 1c3n n GLY 142 Ca -0.17 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 1c3n n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c3n s GLY 143 N -2.68 1.56 -0.40 -0.02 0.00 -0.28 -2.50 107.32 103.00 1c3n s GLY 143 Ca 0.28 -0.93 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 1c3n s GLY 143 CO 0.20 -0.55 0.43 0.14 0.00 0.00 0.00 173.10 173.31 1c3n s VAL 144 N -0.37 5.10 0.06 1.40 1.01 0.28 -1.72 120.40 126.16 1c3n s VAL 144 Ca 0.04 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1c3n s VAL 144 Cb -0.12 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1c3n s VAL 144 CO 0.02 -0.36 -0.20 0.68 0.00 0.00 0.00 175.10 175.24 1c3n s VAL 145 N 2.13 2.64 0.15 2.92 -7.23 -0.63 -0.30 120.40 120.08 1c3n s VAL 145 Ca 0.12 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1c3n s VAL 145 Cb -0.17 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1c3n s VAL 145 CO 0.13 0.29 0.13 0.68 -0.31 0.00 0.00 175.10 176.02 1c3n s VAL 146 N -0.94 0.08 -1.83 1.32 -7.23 -0.42 -4.33 120.40 107.05 1c3n s VAL 146 Ca 0.14 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1c3n s VAL 146 Cb -0.10 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1c3n s VAL 146 CO 0.05 -0.34 0.46 -2.65 -0.31 0.00 0.00 175.10 172.31