#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt s PRO 2 N 0.00 3.31 0.38 0.03 0.04 -1.26 -4.99 135.00 132.51 1xnt s PRO 2 Ca 0.00 -0.32 -0.09 0.00 0.04 0.00 0.00 61.00 60.63 1xnt s PRO 2 Cb 0.00 -4.06 0.04 0.00 0.04 0.00 0.00 34.50 30.52 1xnt s PRO 2 CO 0.00 -1.46 0.67 -1.21 0.04 0.00 0.00 177.00 175.04 1xnt s GLU 3 N 3.83 2.16 -0.11 4.56 2.02 -1.25 -4.47 118.70 125.44 1xnt s GLU 3 Ca 0.29 -1.64 -0.04 0.00 0.02 0.00 0.00 54.97 53.60 1xnt s GLU 3 Cb -0.13 0.55 0.06 0.00 0.10 0.00 0.00 34.13 34.71 1xnt s GLU 3 CO 0.19 -0.97 0.22 0.42 0.02 0.00 0.00 175.26 175.13 1xnt s ILE 4 N -2.45 -0.34 0.42 -1.63 1.01 -0.76 -4.23 121.20 113.21 1xnt s ILE 4 Ca 0.22 0.31 0.04 0.00 0.00 0.00 0.00 60.65 61.22 1xnt s ILE 4 Cb -0.03 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1xnt s ILE 4 CO 0.16 0.12 0.60 -0.13 0.00 0.00 0.00 174.94 175.69 1xnt s ARG 5 N 2.36 2.98 0.12 2.79 0.52 -1.26 -3.82 118.95 122.65 1xnt s ARG 5 Ca 0.02 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 1xnt s ARG 5 Cb -0.12 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1xnt s ARG 5 CO -0.07 -0.21 0.17 -0.51 0.02 0.00 0.00 175.30 174.70 1xnt s LEU 6 N -4.41 4.03 -0.18 2.53 1.02 -1.26 -3.50 118.68 116.90 1xnt s LEU 6 Ca 0.49 0.04 -0.15 0.00 0.02 0.00 0.00 54.13 54.53 1xnt s LEU 6 Cb -0.10 -2.64 -0.07 0.00 0.02 0.00 0.00 46.19 43.40 1xnt s LEU 6 CO 0.35 0.10 -0.31 -1.14 0.02 0.00 0.00 176.35 175.37 1xnt n ARG 7 N -0.12 0.48 -3.49 1.70 0.63 -0.17 -4.76 116.66 110.94 1xnt n ARG 7 Ca -0.08 0.20 -0.11 0.00 -0.92 0.00 0.00 57.85 56.95 1xnt n ARG 7 Cb 0.53 -1.33 -0.02 0.00 0.45 0.00 0.00 32.46 32.09 1xnt n ARG 7 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1xnt s HIS 8 N -2.67 -0.47 -0.92 -0.14 -3.43 -1.24 -5.01 115.29 101.41 1xnt s HIS 8 Ca -0.28 0.23 -0.24 0.00 -0.80 0.00 0.00 55.06 53.96 1xnt s HIS 8 Cb 0.07 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.84 1xnt s HIS 8 CO 0.39 -0.86 1.40 0.54 -2.00 0.00 0.00 174.74 174.22 1xnt s VAL 9 N -3.69 3.84 0.11 -5.38 0.11 -1.26 -0.23 120.40 113.89 1xnt s VAL 9 Ca 0.03 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.44 1xnt s VAL 9 Cb -0.02 -4.99 -0.10 0.00 -1.53 0.00 0.00 36.38 29.75 1xnt s VAL 9 CO -0.10 -1.89 1.61 1.62 -3.33 0.00 0.00 175.10 173.02 1xnt h VAL 10 N 6.54 0.30 -3.67 2.04 3.04 -1.70 -3.43 116.25 119.37 1xnt h VAL 10 Ca 0.03 0.00 -0.64 0.00 -1.01 0.00 0.00 66.70 65.08 1xnt h VAL 10 Cb 1.02 0.30 -0.21 0.00 -2.01 0.00 0.00 31.29 30.39 1xnt h VAL 10 CO 1.37 0.00 -0.84 -0.44 -1.01 0.00 0.00 177.57 176.65 1xnt s SER 11 N -4.72 3.14 -0.17 3.17 0.01 -0.35 -5.00 113.70 109.78 1xnt s SER 11 Ca -0.16 -0.78 -0.04 0.00 1.31 0.00 0.00 55.95 56.28 1xnt s SER 11 Cb 0.07 -0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.17 1xnt s SER 11 CO 0.64 0.12 0.18 0.00 0.41 0.00 0.00 173.24 174.59 1xnt n SER 13 N 5.31 6.82 0.00 0.00 2.88 0.22 -4.77 113.62 124.08 1xnt n SER 13 Ca -0.06 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 1xnt n SER 13 Cb 0.49 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1xnt n SER 13 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xnt n SER 14 N -0.73 0.00 -3.64 -3.46 2.88 -1.04 -1.94 113.62 105.69 1xnt n SER 14 Ca 0.54 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.98 1xnt n SER 14 Cb 0.61 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 1xnt n SER 14 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1xnt s GLN 15 N -0.02 0.73 0.00 -1.46 -0.44 -1.26 -4.47 119.66 112.74 1xnt s GLN 15 Ca 0.00 1.03 0.00 0.00 -2.50 0.00 0.00 55.36 53.89 1xnt s GLN 15 Cb 0.00 0.27 0.00 0.00 -1.64 0.00 0.00 33.01 31.64 1xnt s GLN 15 CO 0.00 -0.11 0.00 -3.47 0.50 0.00 0.00 175.29 172.21 1xnt n ASP 16 N 3.32 0.00 0.00 6.67 -0.08 -0.82 -3.64 116.55 122.01 1xnt n ASP 16 Ca -0.16 -0.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.81 1xnt n ASP 16 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1xnt n ASP 16 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xnt n SER 17 N -0.93 0.00 0.21 1.67 7.64 -1.26 -4.02 113.62 116.93 1xnt n SER 17 Ca 0.00 0.11 -0.14 0.00 1.01 0.00 0.00 58.87 59.84 1xnt n SER 17 Cb 0.00 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 62.64 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xnt h THR 18 N 0.00 0.60 -1.96 0.44 1.35 -2.00 -3.24 112.91 108.11 1xnt h THR 18 Ca 0.00 -0.37 -0.78 0.00 -0.55 0.00 0.00 66.41 64.71 1xnt h THR 18 Cb 0.00 0.78 -0.20 0.00 -1.73 0.00 0.00 68.15 66.99 1xnt h THR 18 CO 0.00 0.07 1.56 1.41 -0.25 0.00 0.00 175.52 178.31 1xnt n HIS 19 N -5.23 2.62 -2.53 4.73 8.25 -1.26 -4.91 115.22 116.90 1xnt n HIS 19 Ca -0.10 -2.69 -0.24 0.00 -0.26 0.00 0.00 57.72 54.43 1xnt n HIS 19 Cb 0.27 -1.64 0.10 0.00 1.12 0.00 0.00 29.99 29.84 1xnt n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xnt h ALA 21 N -0.52 1.36 0.00 0.00 0.00 -1.84 -1.41 119.26 116.86 1xnt h ALA 21 Ca -0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xnt h ALA 21 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xnt h ALA 21 CO 0.43 0.12 0.00 1.49 0.00 0.00 0.00 179.25 181.29 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 -1.02 114.58 116.45 1xnt h GLU 22 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xnt h GLU 22 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1xnt h GLU 22 CO 0.01 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.48 1.04 2.35 -1.53 -0.98 115.58 116.94 1xnt h ASN 23 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1xnt h ASN 23 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xnt h ASN 23 CO 0.00 0.00 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.59 1xnt h LEU 24 N 0.00 0.00 -2.74 1.61 3.38 -1.39 -1.25 115.31 114.92 1xnt h LEU 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xnt h LEU 24 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xnt h LEU 24 CO 0.00 0.12 0.06 -0.07 0.09 0.00 0.00 178.44 178.65 1xnt h LEU 25 N 0.00 0.00 -6.43 1.67 -0.00 -1.37 -3.01 115.31 106.17 1xnt h LEU 25 Ca -0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.28 1xnt h LEU 25 Cb 0.40 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.64 1xnt h LEU 25 CO 0.02 0.00 -0.67 0.29 -0.00 0.00 0.00 178.44 178.08 1xnt n LYS 26 N -3.19 1.98 0.28 1.13 4.01 -0.47 -4.91 118.16 116.99 1xnt n LYS 26 Ca -0.03 -4.36 0.18 0.00 -0.51 0.00 0.00 58.31 53.59 1xnt n LYS 26 Cb 0.13 -2.11 0.91 0.00 -0.51 0.00 0.00 35.03 33.46 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xnt h ALA 27 N 4.58 1.46 -3.21 7.82 0.00 -1.69 -3.34 119.26 124.89 1xnt h ALA 27 Ca 0.17 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.39 1xnt h ALA 27 Cb 0.73 0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.18 1xnt h ALA 27 CO 0.73 -0.28 -0.57 -0.51 0.00 0.00 0.00 179.25 178.62 1xnt s ASP 28 N -5.03 5.20 0.00 0.00 1.11 -1.26 -4.90 116.67 111.79 1xnt s ASP 28 Ca -0.04 -1.93 0.00 0.00 0.18 0.00 0.00 52.55 50.76 1xnt s ASP 28 Cb 0.12 -1.81 0.00 0.00 1.07 0.00 0.00 42.92 42.30 1xnt s ASP 28 CO 0.40 -0.50 0.00 1.07 1.18 0.00 0.00 175.17 177.32 1xnt n THR 29 N 4.59 0.00 -1.83 -1.27 5.66 -1.25 -5.05 114.28 115.12 1xnt n THR 29 Ca -0.03 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.92 1xnt n THR 29 Cb 0.42 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.15 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xnt n TYR 30 N 0.00 0.00 -3.82 1.09 4.11 -1.26 -5.15 117.16 112.13 1xnt n TYR 30 Ca 0.00 -0.33 -0.08 0.00 -0.00 0.00 0.00 57.90 57.49 1xnt n TYR 30 Cb 0.00 0.41 0.02 0.00 -0.00 0.00 0.00 39.34 39.77 1xnt n TYR 30 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1xnt s ARG 31 N 0.00 2.14 0.00 -3.48 6.06 -1.26 -5.19 118.95 117.23 1xnt s ARG 31 Ca 0.00 -1.35 0.00 0.00 -2.50 0.00 0.00 55.73 51.88 1xnt s ARG 31 Cb 0.00 0.62 0.00 0.00 0.06 0.00 0.00 34.95 35.63 1xnt s ARG 31 CO 0.00 -1.00 0.00 0.36 -2.50 0.00 0.00 175.30 172.16 1xnt n LYS 32 N -0.52 0.00 -2.63 5.12 0.00 -1.26 -4.91 118.16 113.96 1xnt n LYS 32 Ca -0.08 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.83 1xnt n LYS 32 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.58 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 1xnt s TRP 33 N -2.90 3.80 -0.08 5.58 -0.00 0.10 -4.57 118.94 120.86 1xnt s TRP 33 Ca 0.00 1.81 -0.03 0.00 -0.00 0.00 0.00 56.10 57.87 1xnt s TRP 33 Cb 0.00 -3.12 0.04 0.00 -0.00 0.00 0.00 33.47 30.40 1xnt s TRP 33 CO 0.00 -0.00 0.17 1.03 -0.00 0.00 0.00 176.95 178.15 1xnt s ARG 34 N -1.12 0.09 0.67 5.86 0.52 -1.21 -3.27 118.95 120.48 1xnt s ARG 34 Ca 0.43 0.49 -0.17 0.00 -0.52 0.00 0.00 55.73 55.96 1xnt s ARG 34 Cb -0.28 -0.19 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 1xnt s ARG 34 CO 0.35 -0.22 0.86 0.00 0.02 0.00 0.00 175.30 176.31 1xnt n ALA 35 N 4.69 -0.37 0.17 2.13 0.00 -0.18 -1.94 120.51 125.02 1xnt n ALA 35 Ca -0.17 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.16 1xnt n ALA 35 Cb 0.51 -2.05 0.29 0.00 0.00 0.00 0.00 19.45 18.20 1xnt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 36 N 0.02 1.21 -3.58 0.00 0.00 -1.78 -3.34 119.26 111.78 1xnt h ALA 36 Ca -0.47 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1xnt h ALA 36 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xnt h ALA 36 CO 0.47 0.59 0.00 1.17 0.00 0.00 0.00 179.25 181.48 1xnt n LYS 37 N -3.96 2.56 -0.39 0.00 3.00 -1.26 -4.75 118.16 113.36 1xnt n LYS 37 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1xnt n LYS 37 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnt n ALA 38 N -3.00 0.00 -3.48 3.14 0.00 -1.26 -4.34 120.51 111.56 1xnt n ALA 38 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1xnt n ALA 38 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1xnt n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 39 N 5.00 -0.43 3.51 0.00 0.00 -1.17 -4.71 105.19 107.39 1xnt n GLY 39 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1xnt n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 40 N -4.49 0.10 -0.09 1.61 -0.58 -1.26 -4.66 120.64 111.26 1xnt n GLU 40 Ca -0.12 -0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.38 1xnt n GLU 40 Cb 0.61 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.96 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1xnt n LYS 41 N 6.39 0.49 -3.66 3.49 4.81 -1.25 -2.61 118.16 125.82 1xnt n LYS 41 Ca 0.64 0.20 -0.07 0.00 -0.87 0.00 0.00 58.31 58.22 1xnt n LYS 41 Cb 0.17 -1.35 -0.08 0.00 0.02 0.00 0.00 35.03 33.79 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1xnt s THR 42 N -2.73 -0.65 0.12 3.15 -4.23 -1.26 0.61 115.64 110.64 1xnt s THR 42 Ca -0.28 0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1xnt s THR 42 Cb 0.06 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 1xnt s THR 42 CO 0.40 0.05 -0.18 0.27 -0.54 0.00 0.00 174.62 174.62 1xnt s ILE 43 N 2.53 1.58 0.08 2.99 -4.36 -0.29 -4.98 121.20 118.75 1xnt s ILE 43 Ca -0.04 -1.66 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 1xnt s ILE 43 Cb -0.11 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 1xnt s ILE 43 CO -0.15 -0.23 -0.15 -0.44 0.24 0.00 0.00 174.94 174.21 1xnt s SER 44 N -2.22 1.79 -0.27 4.36 0.01 -0.82 -0.40 113.70 116.16 1xnt s SER 44 Ca 0.08 -0.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 1xnt s SER 44 Cb -0.08 -0.06 0.16 0.00 0.21 0.00 0.00 66.02 66.25 1xnt s SER 44 CO 0.04 -0.07 0.47 0.54 0.41 0.00 0.00 173.24 174.63 1xnt s VAL 45 N -1.31 -0.76 -0.25 3.43 0.11 0.20 0.69 120.40 122.52 1xnt s VAL 45 Ca -0.00 -0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 58.81 1xnt s VAL 45 Cb -0.10 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1xnt s VAL 45 CO 0.03 -0.09 0.52 -0.69 -3.33 0.00 0.00 175.10 171.54 1xnt s VAL 46 N 2.67 5.07 0.30 2.04 1.01 0.11 -0.95 120.40 130.66 1xnt s VAL 46 Ca 0.15 0.90 0.04 0.00 0.00 0.00 0.00 61.98 63.07 1xnt s VAL 46 Cb -0.15 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1xnt s VAL 46 CO -0.19 0.10 0.45 -0.76 0.00 0.00 0.00 175.10 174.70 1xnt s LEU 47 N 2.19 4.12 -0.15 3.92 1.02 0.63 -1.21 118.68 129.20 1xnt s LEU 47 Ca 0.22 0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.47 1xnt s LEU 47 Cb -0.16 -2.97 -0.02 0.00 0.02 0.00 0.00 46.19 43.07 1xnt s LEU 47 CO 0.09 -0.25 -0.07 -1.58 0.02 0.00 0.00 176.35 174.55 1xnt s GLN 48 N -4.15 3.55 0.20 1.70 -0.44 0.68 -1.48 119.66 119.72 1xnt s GLN 48 Ca 0.39 -0.59 -0.22 0.00 -2.50 0.00 0.00 55.36 52.44 1xnt s GLN 48 Cb -0.09 -2.81 -0.08 0.00 -1.64 0.00 0.00 33.01 28.39 1xnt s GLN 48 CO 0.32 0.21 0.76 -0.51 0.50 0.00 0.00 175.29 176.57 1xnt s LEU 49 N 0.41 4.44 0.00 3.68 1.43 -0.24 -0.99 118.68 127.41 1xnt s LEU 49 Ca -0.06 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1xnt s LEU 49 Cb -0.15 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1xnt s LEU 49 CO 0.04 0.10 1.65 -1.84 0.23 0.00 0.00 176.35 176.53 1xnt n GLU 50 N 1.07 0.98 0.00 1.70 0.28 -1.23 -4.72 120.64 118.72 1xnt n GLU 50 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1xnt n GLU 50 Cb 0.50 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.36 1xnt n GLU 50 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1xnt n LYS 51 N 1.20 0.00 -2.35 3.44 2.85 -1.26 -5.04 118.16 117.00 1xnt n LYS 51 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1xnt n LYS 51 Cb 0.49 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.84 1xnt n LYS 51 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1xnt s GLU 52 N -0.83 3.19 0.27 -1.58 2.12 -1.26 -4.55 118.70 116.06 1xnt s GLU 52 Ca 0.00 0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.76 1xnt s GLU 52 Cb 0.00 -4.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.17 1xnt s GLU 52 CO 0.00 -2.08 0.14 -1.83 -0.54 0.00 0.00 175.26 170.94 1xnt s GLU 53 N 5.78 1.46 0.88 4.30 4.04 0.75 -4.65 118.70 131.25 1xnt s GLU 53 Ca 0.53 -1.81 -0.10 0.00 0.04 0.00 0.00 54.97 53.63 1xnt s GLU 53 Cb -0.11 -0.07 0.18 0.00 0.02 0.00 0.00 34.13 34.15 1xnt s GLU 53 CO 0.23 -0.39 1.20 -0.65 -1.84 0.00 0.00 175.26 173.81 1xnt s GLN 54 N -3.95 0.94 -0.04 -4.83 -0.21 -1.26 0.33 119.66 110.65 1xnt s GLN 54 Ca 0.37 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 1xnt s GLN 54 Cb 0.06 -2.04 0.03 0.00 1.00 0.00 0.00 33.01 32.06 1xnt s GLN 54 CO 0.15 -2.10 0.06 0.42 -2.12 0.00 0.00 175.29 171.70 1xnt s ILE 55 N -3.61 -0.10 -0.07 1.08 1.09 -0.23 -4.47 121.20 114.90 1xnt s ILE 55 Ca 0.72 0.34 0.06 0.00 -1.10 0.00 0.00 60.65 60.67 1xnt s ILE 55 Cb -0.04 -0.13 -0.09 0.00 -1.06 0.00 0.00 42.46 41.14 1xnt s ILE 55 CO 0.50 0.14 0.03 1.57 -0.10 0.00 0.00 174.94 177.08 1xnt n HIS 56 N 4.83 0.00 -3.96 3.97 -0.00 -1.08 -4.59 115.22 114.39 1xnt n HIS 56 Ca -0.14 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.96 1xnt n HIS 56 Cb 0.50 -0.35 -0.09 0.00 -0.12 0.00 0.00 29.99 29.93 1xnt n HIS 56 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xnt s SER 57 N -3.84 0.26 0.11 0.26 0.01 -0.59 -1.23 113.70 108.68 1xnt s SER 57 Ca -0.04 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.49 1xnt s SER 57 Cb 0.02 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 1xnt s SER 57 CO 0.30 -0.57 0.11 -0.69 0.41 0.00 0.00 173.24 172.79 1xnt s VAL 58 N -3.19 0.14 -0.28 3.43 1.01 0.19 -0.92 120.40 120.78 1xnt s VAL 58 Ca -0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 61.98 60.33 1xnt s VAL 58 Cb 0.02 -1.71 0.11 0.00 0.00 0.00 0.00 36.38 34.80 1xnt s VAL 58 CO -0.07 -0.62 0.18 -1.81 0.00 0.00 0.00 175.10 172.78 1xnt s ASP 59 N -2.96 2.85 -0.13 3.32 1.11 0.16 -1.36 116.67 119.67 1xnt s ASP 59 Ca 0.14 -1.06 0.02 0.00 0.18 0.00 0.00 52.55 51.83 1xnt s ASP 59 Cb 0.06 -0.06 0.01 0.00 1.07 0.00 0.00 42.92 44.00 1xnt s ASP 59 CO -0.05 -0.42 -0.19 -0.63 1.18 0.00 0.00 175.17 175.07 1xnt s ILE 60 N 2.19 1.81 -0.15 0.77 1.01 -0.34 0.98 121.20 127.48 1xnt s ILE 60 Ca 0.09 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 1xnt s ILE 60 Cb -0.15 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1xnt s ILE 60 CO -0.34 0.50 0.47 -0.83 0.00 0.00 0.00 174.94 174.74 1xnt s GLY 61 N 0.93 2.29 -0.23 6.18 0.00 -0.50 -0.95 107.32 115.04 1xnt s GLY 61 Ca -0.06 -0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.13 1xnt s GLY 61 CO -0.03 0.82 0.87 -1.31 0.00 0.00 0.00 173.10 173.45 1xnt s ASN 62 N 0.76 6.90 -1.20 1.64 0.01 -0.91 -1.00 114.94 121.14 1xnt s ASN 62 Ca 0.24 1.12 -0.07 0.00 -0.71 0.00 0.00 52.86 53.44 1xnt s ASN 62 Cb -0.15 -2.46 0.22 0.00 0.41 0.00 0.00 41.25 39.28 1xnt s ASN 62 CO 0.10 -0.52 1.74 -0.67 -1.51 0.00 0.00 177.10 176.24 1xnt n ASP 63 N 5.91 5.72 0.00 -1.22 2.03 -0.15 -3.48 116.55 125.37 1xnt n ASP 63 Ca 0.06 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1xnt n ASP 63 Cb 0.47 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xnt n GLY 64 N 2.14 0.84 1.73 0.27 0.00 -0.81 -3.59 105.19 105.77 1xnt n GLY 64 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 1xnt n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xnt n SER 65 N 0.00 -2.38 0.10 1.61 7.64 -1.26 -4.81 113.62 114.52 1xnt n SER 65 Ca 0.00 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1xnt n SER 65 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt n ALA 66 N -4.23 1.71 -2.99 -0.43 0.00 -1.26 -4.10 120.51 109.22 1xnt n ALA 66 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1xnt n ALA 66 Cb 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 1xnt n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xnt s PHE 67 N -2.00 3.15 -0.26 0.00 0.08 -0.30 0.52 117.98 119.17 1xnt s PHE 67 Ca 0.00 -0.63 0.03 0.00 0.12 0.00 0.00 56.93 56.45 1xnt s PHE 67 Cb 0.00 -2.30 0.06 0.00 -0.57 0.00 0.00 43.02 40.21 1xnt s PHE 67 CO 0.00 -0.46 -0.10 0.08 -0.10 0.00 0.00 175.22 174.64 1xnt s VAL 68 N 1.59 2.09 -0.05 -0.44 1.01 -0.57 0.55 120.40 124.57 1xnt s VAL 68 Ca 0.05 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 1xnt s VAL 68 Cb -0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1xnt s VAL 68 CO 0.05 -0.05 0.05 -0.70 0.00 0.00 0.00 175.10 174.45 1xnt s GLU 69 N 1.14 3.04 -0.07 2.72 2.12 -0.19 0.24 118.70 127.70 1xnt s GLU 69 Ca -0.08 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.83 1xnt s GLU 69 Cb -0.20 -2.85 0.02 0.00 0.26 0.00 0.00 34.13 31.36 1xnt s GLU 69 CO -0.05 0.68 -0.09 0.08 -0.54 0.00 0.00 175.26 175.35 1xnt s VAL 70 N -1.03 0.92 0.30 3.70 1.01 -0.58 -1.21 120.40 123.50 1xnt s VAL 70 Ca 0.18 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1xnt s VAL 70 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1xnt s VAL 70 CO 0.07 0.32 0.05 -0.76 0.00 0.00 0.00 175.10 174.78 1xnt s LEU 71 N 1.02 3.21 0.22 3.92 1.02 -0.31 -1.72 118.68 126.05 1xnt s LEU 71 Ca -0.08 -0.72 0.10 0.00 0.02 0.00 0.00 54.13 53.45 1xnt s LEU 71 Cb -0.15 -1.70 -0.05 0.00 0.02 0.00 0.00 46.19 44.32 1xnt s LEU 71 CO -0.00 -0.13 -0.19 0.68 0.02 0.00 0.00 176.35 176.73 1xnt s VAL 72 N -2.37 2.15 -0.06 -1.59 -7.23 0.07 -1.38 120.40 109.99 1xnt s VAL 72 Ca 0.34 -2.17 -0.31 0.00 -1.81 0.00 0.00 61.98 58.02 1xnt s VAL 72 Cb -0.04 -2.10 0.12 0.00 0.56 0.00 0.00 36.38 34.91 1xnt s VAL 72 CO 0.21 -0.35 1.24 -0.83 -0.31 0.00 0.00 175.10 175.05 1xnt s GLY 73 N -3.09 -0.37 0.15 2.32 0.00 -0.34 -0.57 107.32 105.42 1xnt s GLY 73 Ca 0.23 0.93 0.06 0.00 0.00 0.00 0.00 44.72 45.94 1xnt s GLY 73 CO 0.10 0.24 0.02 -0.45 0.00 0.00 0.00 173.10 173.01 1xnt s SER 74 N -2.73 4.96 0.00 1.64 0.15 -1.26 0.47 113.70 116.93 1xnt s SER 74 Ca 0.12 -0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.57 1xnt s SER 74 Cb 0.03 -1.13 0.33 0.00 -1.71 0.00 0.00 66.02 63.54 1xnt s SER 74 CO -0.04 0.11 1.24 -0.24 1.20 0.00 0.00 173.24 175.52 1xnt n SER 75 N 0.05 0.85 -4.66 5.45 2.88 -1.26 -4.76 113.62 112.17 1xnt n SER 75 Ca -0.10 -1.89 -0.42 0.00 -1.33 0.00 0.00 58.87 55.13 1xnt n SER 75 Cb 0.54 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt s ALA 76 N -1.81 3.56 0.00 -1.46 0.00 -1.26 -4.19 121.76 116.60 1xnt s ALA 76 Ca 0.15 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1xnt s ALA 76 Cb 0.08 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1xnt s ALA 76 CO 0.11 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.71 1xnt n GLY 77 N 4.47 0.97 0.00 0.00 0.00 -1.26 -4.50 105.19 104.86 1xnt n GLY 77 Ca 0.19 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1xnt n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnt n GLY 78 N 0.00 0.72 0.27 -0.02 0.00 -1.26 -5.03 105.19 99.87 1xnt n GLY 78 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt h ALA 79 N 0.00 0.69 0.00 4.61 0.00 -1.92 -3.49 119.26 119.15 1xnt h ALA 79 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xnt h ALA 79 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xnt h ALA 79 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1xnt n GLY 80 N -0.28 -0.82 0.01 0.00 0.00 -1.26 -5.02 105.19 97.83 1xnt n GLY 80 Ca 0.01 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.29 1xnt n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xnt n GLU 81 N 0.00 0.58 -0.96 1.61 0.00 -1.26 -4.40 120.64 116.21 1xnt n GLU 81 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 57.16 56.88 1xnt n GLU 81 Cb 0.00 -1.38 0.19 0.00 0.00 0.00 0.00 31.44 30.25 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1xnt n GLN 82 N -2.10 2.48 -1.97 3.44 6.02 -1.26 -4.31 117.38 119.68 1xnt n GLN 82 Ca -0.05 -2.51 -0.25 0.00 -0.01 0.00 0.00 57.00 54.18 1xnt n GLN 82 Cb 0.47 -2.01 0.03 0.00 1.02 0.00 0.00 30.24 29.75 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xnt n ASP 83 N -0.58 5.19 -2.94 1.08 2.03 -1.26 -5.03 116.55 115.05 1xnt n ASP 83 Ca 0.44 -3.75 -0.07 0.00 0.52 0.00 0.00 54.79 51.93 1xnt n ASP 83 Cb 1.38 -0.40 0.02 0.00 -0.72 0.00 0.00 41.12 41.40 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xnt n TYR 84 N -0.72 -2.31 -4.75 -0.67 4.02 -1.26 -4.92 117.16 106.55 1xnt n TYR 84 Ca 0.46 -0.70 -0.25 0.00 -0.01 0.00 0.00 57.90 57.39 1xnt n TYR 84 Cb 0.93 -0.17 -0.16 0.00 -0.02 0.00 0.00 39.34 39.93 1xnt n TYR 84 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1xnt s GLU 85 N -2.81 1.63 -0.86 -0.72 2.56 0.26 -4.88 118.70 113.87 1xnt s GLU 85 Ca 0.17 -0.55 -0.26 0.00 0.00 0.00 0.00 54.97 54.33 1xnt s GLU 85 Cb -0.01 -1.43 -0.12 0.00 2.00 0.00 0.00 34.13 34.57 1xnt s GLU 85 CO 0.11 0.22 2.25 0.08 -0.56 0.00 0.00 175.26 177.35 1xnt s VAL 86 N 0.06 3.15 0.17 3.70 1.01 -1.26 -0.75 120.40 126.47 1xnt s VAL 86 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1xnt s VAL 86 Cb -0.11 -3.41 0.06 0.00 0.00 0.00 0.00 36.38 32.92 1xnt s VAL 86 CO 0.02 -0.31 1.68 0.25 0.00 0.00 0.00 175.10 176.74 1xnt h LEU 87 N 21.13 0.86 -7.15 3.92 5.85 -1.81 -3.43 115.31 134.69 1xnt h LEU 87 Ca 0.04 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1xnt h LEU 87 Cb 1.00 -0.23 -0.29 0.00 0.37 0.00 0.00 40.66 41.51 1xnt h LEU 87 CO 1.07 0.87 -0.41 -1.48 -0.34 0.00 0.00 178.44 178.15 1xnt s LEU 88 N -9.59 -0.53 0.00 2.25 0.05 -0.70 -0.95 118.68 109.21 1xnt s LEU 88 Ca -0.13 0.89 -0.15 0.00 0.05 0.00 0.00 54.13 54.79 1xnt s LEU 88 Cb 0.13 1.18 0.23 0.00 -2.05 0.00 0.00 46.19 45.68 1xnt s LEU 88 CO 0.81 -0.23 0.52 1.33 -0.55 0.00 0.00 176.35 178.23 1xnt n VAL 89 N 5.32 0.00 -2.21 1.48 0.24 -1.26 -1.53 118.33 120.37 1xnt n VAL 89 Ca -0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.80 1xnt n VAL 89 Cb 0.50 -0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 32.25 1xnt n VAL 89 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xnt s THR 90 N -1.85 3.23 -0.31 3.34 -1.32 -1.26 -4.19 115.64 113.29 1xnt s THR 90 Ca 0.40 0.98 -0.13 0.00 -1.21 0.00 0.00 61.69 61.74 1xnt s THR 90 Cb -0.07 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.26 1xnt s THR 90 CO 0.34 0.13 0.28 -0.94 -2.21 0.00 0.00 174.62 172.22 1xnt s SER 91 N 0.49 6.11 -1.11 8.08 1.04 0.14 -4.66 113.70 123.79 1xnt s SER 91 Ca 0.58 -0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.75 1xnt s SER 91 Cb -0.36 -2.16 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 1xnt s SER 91 CO 0.37 -0.18 2.12 -1.54 0.98 0.00 0.00 173.24 174.99 1xnt n SER 92 N 5.20 3.62 0.47 7.02 3.41 -1.23 -1.51 113.62 130.60 1xnt n SER 92 Ca -0.11 -2.71 -0.20 0.00 -0.26 0.00 0.00 58.87 55.59 1xnt n SER 92 Cb 0.51 -1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.00 1xnt n SER 92 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xnt h PHE 93 N 6.84 -1.17 -4.63 7.33 3.57 -0.27 -3.46 116.94 125.15 1xnt h PHE 93 Ca 0.51 -0.02 -0.41 0.00 3.53 0.00 0.00 57.97 61.58 1xnt h PHE 93 Cb 0.59 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 39.65 1xnt h PHE 93 CO 1.43 -0.71 -0.31 -1.33 -2.23 0.00 0.00 178.31 175.16 1xnt n MET 94 N -5.62 1.16 -4.32 1.11 2.81 -1.23 -5.03 117.12 106.01 1xnt n MET 94 Ca -0.16 -2.35 -0.30 0.00 -1.81 0.00 0.00 57.70 53.09 1xnt n MET 94 Cb 0.49 0.70 -0.03 0.00 -0.71 0.00 0.00 33.22 33.66 1xnt n MET 94 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xnt s SER 95 N -2.76 4.40 -0.01 7.83 1.04 -1.26 -4.51 113.70 118.43 1xnt s SER 95 Ca 0.02 -1.49 0.07 0.00 0.48 0.00 0.00 55.95 55.03 1xnt s SER 95 Cb 0.00 0.61 0.23 0.00 0.10 0.00 0.00 66.02 66.96 1xnt s SER 95 CO 0.01 -1.05 1.16 -0.81 0.98 0.00 0.00 173.24 173.52 1xnt n PRO 96 N -1.58 1.66 0.00 4.02 -0.04 -1.26 -3.71 135.00 134.09 1xnt n PRO 96 Ca -0.11 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 1xnt n PRO 96 Cb 0.66 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1xnt n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xnt n SER 97 N 0.23 3.88 -0.17 3.54 3.41 -1.26 -4.67 113.62 118.58 1xnt n SER 97 Ca 0.09 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.84 1xnt n SER 97 Cb 0.25 0.03 0.78 0.00 -0.26 0.00 0.00 64.21 65.01 1xnt n SER 97 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1xnt n GLU 98 N -2.42 1.23 0.08 4.33 0.28 -1.26 -3.72 120.64 119.17 1xnt n GLU 98 Ca 0.00 -0.34 -0.10 0.00 -0.16 0.00 0.00 57.16 56.56 1xnt n GLU 98 Cb 0.48 -1.48 -0.09 0.00 1.43 0.00 0.00 31.44 31.78 1xnt n GLU 98 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1xnt h SER 99 N 0.81 0.22 0.00 -1.84 0.87 -1.77 -3.16 113.55 108.68 1xnt h SER 99 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1xnt h SER 99 Cb 0.17 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1xnt h SER 99 CO 0.00 1.12 0.00 -2.11 -0.53 0.00 0.00 176.83 175.31 1xnt n ARG 100 N -3.52 0.00 -2.33 2.24 0.00 -1.24 -4.44 116.66 107.37 1xnt n ARG 100 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.79 1xnt n ARG 100 Cb 0.92 -0.82 0.09 0.00 -0.00 0.00 0.00 32.46 32.66 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xnt n SER 101 N -0.38 -1.28 -0.02 2.89 2.88 -1.26 -4.75 113.62 111.69 1xnt n SER 101 Ca 0.00 -2.07 0.03 0.00 -1.33 0.00 0.00 58.87 55.50 1xnt n SER 101 Cb 0.00 0.58 -0.11 0.00 -0.75 0.00 0.00 64.21 63.93 1xnt n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xnt n GLY 102 N -1.22 -0.65 3.20 0.46 0.00 -1.26 -5.00 105.19 100.71 1xnt n GLY 102 Ca -0.18 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.57 1xnt n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 103 N -3.94 -0.11 -1.05 1.61 0.01 -1.21 -4.99 113.70 104.03 1xnt s SER 103 Ca -0.06 0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.15 1xnt s SER 103 Cb 0.08 1.13 0.03 0.00 0.21 0.00 0.00 66.02 67.46 1xnt s SER 103 CO 0.58 -0.02 0.64 -0.46 0.41 0.00 0.00 173.24 174.39 1xnt n ASN 104 N 4.61 -4.39 0.10 2.44 6.94 -1.26 -4.41 115.26 119.30 1xnt n ASN 104 Ca -0.07 -1.18 -0.04 0.00 -0.02 0.00 0.00 54.58 53.27 1xnt n ASN 104 Cb 0.55 -1.58 0.05 0.00 -2.36 0.00 0.00 39.78 36.44 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1xnt h PRO 105 N -1.65 0.05 -2.40 -0.53 0.13 -1.76 -3.38 132.00 122.46 1xnt h PRO 105 Ca -0.69 -0.05 -0.59 0.00 -0.87 0.00 0.00 66.00 63.80 1xnt h PRO 105 Cb 1.41 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.15 1xnt h PRO 105 CO 0.45 0.80 -0.85 0.09 -0.23 0.00 0.00 178.00 178.26 1xnt n ASN 106 N -3.65 1.29 -1.91 1.44 5.03 -1.26 -1.93 115.26 114.26 1xnt n ASN 106 Ca -0.01 -2.85 0.00 0.00 0.87 0.00 0.00 54.58 52.59 1xnt n ASN 106 Cb 0.74 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 1xnt n ASN 106 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1xnt n ARG 107 N 1.89 1.68 -4.35 3.52 1.74 -1.23 -5.01 116.66 114.91 1xnt n ARG 107 Ca 0.25 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.16 1xnt n ARG 107 Cb 0.45 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.79 1xnt n ARG 107 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xnt s VAL 108 N -0.11 1.17 -0.05 1.55 0.11 -1.26 -2.15 120.40 119.66 1xnt s VAL 108 Ca 0.00 -2.05 -0.03 0.00 -2.93 0.00 0.00 61.98 56.96 1xnt s VAL 108 Cb 0.00 -2.34 0.03 0.00 -1.53 0.00 0.00 36.38 32.54 1xnt s VAL 108 CO 0.00 -0.34 0.13 -0.60 -3.33 0.00 0.00 175.10 170.96 1xnt s ARG 109 N -3.83 0.11 0.24 1.54 6.06 -0.13 -4.80 118.95 118.15 1xnt s ARG 109 Ca 0.28 0.27 0.08 0.00 -2.50 0.00 0.00 55.73 53.87 1xnt s ARG 109 Cb 0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 34.95 34.95 1xnt s ARG 109 CO 0.09 -0.10 0.05 -1.64 -2.50 0.00 0.00 175.30 171.20 1xnt s MET 110 N 0.68 2.48 -0.25 5.12 -1.94 -1.26 -1.20 119.30 122.93 1xnt s MET 110 Ca -0.05 -1.26 -0.02 0.00 -1.71 0.00 0.00 55.69 52.65 1xnt s MET 110 Cb -0.07 -2.30 0.08 0.00 2.01 0.00 0.00 34.83 34.54 1xnt s MET 110 CO -0.03 0.39 0.06 -0.06 -0.01 0.00 0.00 175.02 175.37 1xnt s PHE 111 N -2.16 1.36 0.00 -0.03 0.40 -0.46 -4.93 117.98 112.16 1xnt s PHE 111 Ca 0.31 -1.27 0.00 0.00 -0.60 0.00 0.00 56.93 55.37 1xnt s PHE 111 Cb -0.07 -1.33 0.00 0.00 0.51 0.00 0.00 43.02 42.13 1xnt s PHE 111 CO 0.21 -0.74 0.00 0.41 0.70 0.00 0.00 175.22 175.80 1xnt n GLY 112 N 4.95 1.08 0.17 4.36 0.00 -1.26 0.56 105.19 115.05 1xnt n GLY 112 Ca -0.06 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1xnt n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt h PRO 113 N 0.00 0.42 0.00 1.61 0.13 -1.51 -3.16 132.00 129.49 1xnt h PRO 113 Ca 0.00 -0.39 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1xnt h PRO 113 Cb 0.00 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 1xnt h PRO 113 CO 0.00 1.04 -0.22 -0.44 -0.23 0.00 0.00 178.00 178.15 1xnt h ASP 114 N 0.27 0.00 -0.21 1.44 3.32 -1.93 -1.74 116.42 117.57 1xnt h ASP 114 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1xnt h ASP 114 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1xnt h ASP 114 CO 0.14 0.22 0.00 0.29 -1.72 0.00 0.00 179.24 178.17 1xnt n LYS 115 N -3.95 1.94 -4.52 3.56 4.01 -1.20 -4.88 118.16 113.12 1xnt n LYS 115 Ca -0.02 -1.41 -0.22 0.00 -0.51 0.00 0.00 58.31 56.15 1xnt n LYS 115 Cb 0.30 -1.43 -0.14 0.00 -0.51 0.00 0.00 35.03 33.25 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1xnt s LEU 116 N -1.57 2.13 0.36 -0.35 0.05 -0.65 -4.30 118.68 114.35 1xnt s LEU 116 Ca 0.34 -0.42 -0.28 0.00 0.05 0.00 0.00 54.13 53.82 1xnt s LEU 116 Cb 0.19 -0.74 -0.10 0.00 -2.05 0.00 0.00 46.19 43.49 1xnt s LEU 116 CO 0.28 0.11 1.37 0.54 -0.55 0.00 0.00 176.35 178.10 1xnt s VAL 117 N -0.69 2.44 0.09 1.48 0.11 -0.13 -4.86 120.40 118.85 1xnt s VAL 117 Ca 0.04 0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 59.49 1xnt s VAL 117 Cb -0.07 -3.27 -0.25 0.00 -1.53 0.00 0.00 36.38 31.25 1xnt s VAL 117 CO 0.01 0.10 1.19 0.03 -3.33 0.00 0.00 175.10 173.10 1xnt h ARG 118 N 3.10 0.30 0.00 1.54 2.47 -1.92 0.38 114.38 120.25 1xnt h ARG 118 Ca -0.50 -0.45 -0.00 0.00 -1.26 0.00 0.00 59.98 57.77 1xnt h ARG 118 Cb 1.24 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1xnt h ARG 118 CO 0.64 1.18 -0.02 0.00 0.56 0.00 0.00 179.97 182.34 1xnt h ALA 119 N 0.64 1.07 0.00 0.04 0.00 -2.00 -3.04 119.26 115.97 1xnt h ALA 119 Ca -0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1xnt h ALA 119 Cb 1.86 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1xnt h ALA 119 CO 0.19 0.02 -1.46 0.00 0.00 0.00 0.00 179.25 178.00 1xnt n ALA 120 N -2.13 2.28 -0.29 0.00 0.00 -1.20 -4.50 120.51 114.68 1xnt n ALA 120 Ca -0.02 -0.33 0.30 0.00 0.00 0.00 0.00 53.44 53.39 1xnt n ALA 120 Cb 0.16 0.37 0.67 0.00 0.00 0.00 0.00 19.45 20.66 1xnt n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 121 N -0.22 2.80 -0.01 0.00 0.00 -0.31 0.98 119.26 122.51 1xnt h ALA 121 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xnt h ALA 121 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xnt h ALA 121 CO -0.10 -1.14 -0.07 -0.85 0.00 0.00 0.00 179.25 177.10 1xnt n GLU 122 N -4.33 1.14 -3.38 0.00 -0.00 -1.15 -1.06 120.64 111.86 1xnt n GLU 122 Ca 0.24 -0.50 -0.38 0.00 -0.00 0.00 0.00 57.16 56.52 1xnt n GLU 122 Cb 1.07 -1.49 -0.06 0.00 -0.00 0.00 0.00 31.44 30.96 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xnt s LYS 123 N -2.20 4.17 -0.34 3.44 1.02 0.34 -4.84 119.74 121.32 1xnt s LYS 123 Ca 0.36 0.48 -0.28 0.00 0.02 0.00 0.00 55.97 56.54 1xnt s LYS 123 Cb 0.21 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1xnt s LYS 123 CO 0.41 0.43 1.81 1.03 -0.92 0.00 0.00 175.35 178.11 1xnt s ARG 124 N -0.26 3.29 0.26 1.68 0.52 -1.26 -4.25 118.95 118.94 1xnt s ARG 124 Ca 0.25 1.40 0.08 0.00 -0.52 0.00 0.00 55.73 56.95 1xnt s ARG 124 Cb -0.16 -4.21 -0.04 0.00 0.52 0.00 0.00 34.95 31.06 1xnt s ARG 124 CO 0.13 -1.91 0.12 -1.58 0.02 0.00 0.00 175.30 172.08 1xnt s TRP 125 N 7.06 2.94 0.00 -0.53 0.52 0.15 -4.57 118.94 124.51 1xnt s TRP 125 Ca 0.80 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 56.75 1xnt s TRP 125 Cb -0.22 -1.34 0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1xnt s TRP 125 CO 0.33 0.55 0.28 -3.47 0.02 0.00 0.00 176.95 174.66 1xnt n ASP 126 N -1.08 0.41 -3.89 2.95 2.03 -0.34 -0.18 116.55 116.45 1xnt n ASP 126 Ca -0.07 -1.08 -0.11 0.00 0.52 0.00 0.00 54.79 54.05 1xnt n ASP 126 Cb 0.58 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.86 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xnt s ARG 127 N -0.08 0.13 0.01 -0.67 0.52 0.18 -1.08 118.95 117.96 1xnt s ARG 127 Ca 0.00 -0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 1xnt s ARG 127 Cb 0.00 0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.51 1xnt s ARG 127 CO 0.00 -0.02 -0.08 0.54 0.02 0.00 0.00 175.30 175.75 1xnt s VAL 128 N -0.42 0.66 -0.30 3.52 0.11 -0.55 -1.19 120.40 122.22 1xnt s VAL 128 Ca -0.05 -0.54 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 1xnt s VAL 128 Cb -0.03 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1xnt s VAL 128 CO -0.00 0.05 0.10 -0.75 -3.33 0.00 0.00 175.10 171.17 1xnt s LYS 129 N -0.55 3.12 -0.23 1.54 2.20 -0.48 -0.27 119.74 125.06 1xnt s LYS 129 Ca 0.01 -0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 54.69 1xnt s LYS 129 Cb -0.05 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1xnt s LYS 129 CO 0.00 -0.45 0.08 0.42 -0.36 0.00 0.00 175.35 175.04 1xnt s ILE 130 N 1.52 4.52 -0.09 5.43 -1.09 -0.12 -1.16 121.20 130.21 1xnt s ILE 130 Ca 0.03 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1xnt s ILE 130 Cb -0.17 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1xnt s ILE 130 CO 0.03 0.36 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.30 1xnt s VAL 131 N 1.30 1.17 0.02 2.92 1.01 -0.35 0.62 120.40 127.10 1xnt s VAL 131 Ca 0.05 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1xnt s VAL 131 Cb -0.15 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1xnt s VAL 131 CO 0.04 0.38 0.26 0.00 0.00 0.00 0.00 175.10 175.78 1xnt s SER 133 N -1.89 -0.22 0.00 0.00 0.15 0.19 -1.13 113.70 110.79 1xnt s SER 133 Ca 0.30 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1xnt s SER 133 Cb -0.13 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1xnt s SER 133 CO 0.18 -0.16 0.00 0.00 1.20 0.00 0.00 173.24 174.46 1xnt n GLN 134 N 4.22 0.00 -2.77 5.44 6.02 0.20 -1.15 117.38 129.34 1xnt n GLN 134 Ca -0.26 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.30 1xnt n GLN 134 Cb 0.53 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.77 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xnt s PRO 135 N -2.32 3.73 0.00 -1.09 0.04 -1.23 -3.92 135.00 130.21 1xnt s PRO 135 Ca 0.00 -1.73 0.07 0.00 0.04 0.00 0.00 61.00 59.38 1xnt s PRO 135 Cb 0.00 -5.16 0.04 0.00 0.04 0.00 0.00 34.50 29.42 1xnt s PRO 135 CO 0.00 -1.97 0.67 2.48 0.04 0.00 0.00 177.00 178.22 1xnt n TYR 136 N 7.35 0.00 -4.11 0.56 0.18 -1.07 -4.97 117.16 115.09 1xnt n TYR 136 Ca 0.32 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 60.05 1xnt n TYR 136 Cb 0.48 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.43 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xnt n SER 137 N 0.19 1.58 0.00 9.48 2.88 -1.26 -4.96 113.62 121.54 1xnt n SER 137 Ca 0.04 -1.40 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1xnt n SER 137 Cb 0.17 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1xnt n SER 137 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xnt n LYS 138 N -0.20 0.00 -0.03 -1.46 5.02 -1.26 -4.34 118.16 115.89 1xnt n LYS 138 Ca -0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.24 1xnt n LYS 138 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.09 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xnt n ASP 139 N -1.71 3.65 -4.88 4.39 5.68 -1.26 -3.06 116.55 119.36 1xnt n ASP 139 Ca 0.00 -0.01 -0.31 0.00 -0.50 0.00 0.00 54.79 53.97 1xnt n ASP 139 Cb 0.00 0.45 -0.05 0.00 -1.14 0.00 0.00 41.12 40.38 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1xnt s SER 140 N -3.89 6.16 0.72 -1.12 1.04 -1.26 -4.69 113.70 110.65 1xnt s SER 140 Ca -0.04 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1xnt s SER 140 Cb 0.02 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1xnt s SER 140 CO 0.20 0.18 0.00 -0.81 0.98 0.00 0.00 173.24 173.78 1xnt n PRO 141 N 0.36 0.29 -3.44 4.02 -0.04 -1.26 -3.73 135.00 131.20 1xnt n PRO 141 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1xnt n PRO 141 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1xnt n PRO 141 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xnt n PHE 142 N -1.70 0.00 0.00 0.54 3.72 -1.26 -4.94 117.46 113.82 1xnt n PHE 142 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1xnt n PHE 142 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xnt n GLY 143 N 0.00 -0.20 3.41 1.37 0.00 -1.24 -1.01 105.19 107.53 1xnt n GLY 143 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1xnt n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnt s LEU 144 N 0.00 2.43 0.18 0.99 1.02 -1.20 -0.98 118.68 121.12 1xnt s LEU 144 Ca 0.00 -0.54 0.12 0.00 0.02 0.00 0.00 54.13 53.73 1xnt s LEU 144 Cb 0.00 -1.40 -0.07 0.00 0.02 0.00 0.00 46.19 44.74 1xnt s LEU 144 CO 0.00 0.24 1.29 0.28 0.02 0.00 0.00 176.35 178.18 1xnt h SER 145 N 4.47 0.00 -5.79 2.29 0.02 -1.33 0.31 113.55 113.51 1xnt h SER 145 Ca -0.48 0.00 0.33 0.00 -0.84 0.00 0.00 61.79 60.80 1xnt h SER 145 Cb 1.15 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.58 1xnt h SER 145 CO 0.45 0.72 0.85 0.72 -1.14 0.00 0.00 176.83 178.43 1xnt s PHE 146 N -2.84 -0.03 -0.15 3.45 -0.12 -1.24 -4.52 117.98 112.52 1xnt s PHE 146 Ca 0.02 -0.08 -0.09 0.00 -0.05 0.00 0.00 56.93 56.73 1xnt s PHE 146 Cb 0.09 0.55 0.05 0.00 -0.63 0.00 0.00 43.02 43.08 1xnt s PHE 146 CO 0.78 -0.27 0.37 0.14 -0.05 0.00 0.00 175.22 176.19 1xnt s VAL 147 N -2.33 -0.03 -0.25 -2.49 -7.23 -1.26 -1.41 120.40 105.40 1xnt s VAL 147 Ca 0.17 0.10 -0.02 0.00 -1.81 0.00 0.00 61.98 60.41 1xnt s VAL 147 Cb 0.04 -0.55 0.12 0.00 0.56 0.00 0.00 36.38 36.56 1xnt s VAL 147 CO -0.03 0.04 0.30 -0.13 -0.31 0.00 0.00 175.10 174.97 1xnt s ARG 148 N 1.24 0.30 0.46 4.82 0.52 0.27 -4.93 118.95 121.63 1xnt s ARG 148 Ca -0.08 0.15 -0.08 0.00 -0.52 0.00 0.00 55.73 55.19 1xnt s ARG 148 Cb -0.08 -0.75 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 1xnt s ARG 148 CO -0.10 -0.83 0.80 -0.06 0.02 0.00 0.00 175.30 175.13 1xnt s PHE 149 N 2.41 3.53 -0.18 -0.53 0.08 -1.25 0.36 117.98 122.40 1xnt s PHE 149 Ca 0.09 0.94 -0.14 0.00 0.12 0.00 0.00 56.93 57.95 1xnt s PHE 149 Cb -0.15 -2.39 0.05 0.00 -0.57 0.00 0.00 43.02 39.97 1xnt s PHE 149 CO -0.22 -0.24 0.46 -3.38 -0.10 0.00 0.00 175.22 171.74 1xnt s HIS 150 N -2.62 -0.58 -1.48 0.36 -3.43 -0.10 -1.83 115.29 105.61 1xnt s HIS 150 Ca 0.49 1.32 0.12 0.00 -0.80 0.00 0.00 55.06 56.19 1xnt s HIS 150 Cb -0.10 0.24 0.09 0.00 -1.43 0.00 0.00 32.58 31.38 1xnt s HIS 150 CO 0.40 -0.30 0.88 -1.13 -2.00 0.00 0.00 174.74 172.59