#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt n PRO 2 N 0.00 1.94 -3.82 3.17 -0.04 -1.26 -4.91 135.00 130.08 1xnt n PRO 2 Ca 0.00 -1.08 -0.08 0.00 -0.04 0.00 0.00 63.50 62.30 1xnt n PRO 2 Cb 0.00 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.06 1xnt n PRO 2 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1xnt s GLU 3 N -1.64 2.03 -0.14 0.54 -1.05 -1.26 -4.72 118.70 112.45 1xnt s GLU 3 Ca 0.20 -1.27 0.02 0.00 -0.15 0.00 0.00 54.97 53.77 1xnt s GLU 3 Cb 0.12 0.60 0.01 0.00 -0.44 0.00 0.00 34.13 34.42 1xnt s GLU 3 CO 0.11 -0.95 -0.19 0.42 0.95 0.00 0.00 175.26 175.60 1xnt s ILE 4 N -2.69 1.89 0.47 1.83 1.01 0.36 -4.69 121.20 119.38 1xnt s ILE 4 Ca 0.15 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.01 1xnt s ILE 4 Cb -0.05 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.74 1xnt s ILE 4 CO 0.10 0.52 0.51 -0.13 0.00 0.00 0.00 174.94 175.93 1xnt s ARG 5 N 1.05 2.51 0.34 2.79 3.00 -1.26 -3.07 118.95 124.31 1xnt s ARG 5 Ca -0.03 -1.57 0.07 0.00 0.00 0.00 0.00 55.73 54.21 1xnt s ARG 5 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 34.95 32.32 1xnt s ARG 5 CO -0.06 -0.41 0.39 -0.51 0.00 0.00 0.00 175.30 174.72 1xnt s LEU 6 N -4.31 3.76 0.00 2.53 1.02 -1.26 -3.12 118.68 117.30 1xnt s LEU 6 Ca 0.50 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.29 1xnt s LEU 6 Cb -0.05 -2.48 0.00 0.00 0.02 0.00 0.00 46.19 43.68 1xnt s LEU 6 CO 0.30 -0.43 0.00 -1.14 0.02 0.00 0.00 176.35 175.10 1xnt n ARG 7 N -1.53 0.00 -1.91 1.70 3.00 -1.15 -4.55 116.66 112.22 1xnt n ARG 7 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1xnt n ARG 7 Cb 0.59 -0.63 0.01 0.00 0.00 0.00 0.00 32.46 32.43 1xnt n ARG 7 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1xnt n HIS 8 N -2.86 -1.36 -3.43 -0.14 1.44 -1.26 -5.00 115.22 102.61 1xnt n HIS 8 Ca 0.00 -0.56 -0.44 0.00 -2.01 0.00 0.00 57.72 54.71 1xnt n HIS 8 Cb 0.49 0.28 -0.05 0.00 0.12 0.00 0.00 29.99 30.84 1xnt n HIS 8 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xnt s VAL 9 N -2.68 5.04 0.08 0.61 0.11 -1.26 -0.29 120.40 122.01 1xnt s VAL 9 Ca 0.05 -2.36 -0.34 0.00 -2.93 0.00 0.00 61.98 56.40 1xnt s VAL 9 Cb -0.01 -4.18 -0.16 0.00 -1.53 0.00 0.00 36.38 30.50 1xnt s VAL 9 CO 0.03 -0.95 1.53 1.62 -3.33 0.00 0.00 175.10 174.00 1xnt h VAL 10 N 5.17 0.00 -2.16 2.04 3.04 -1.65 -3.44 116.25 119.24 1xnt h VAL 10 Ca -0.01 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 65.10 1xnt h VAL 10 Cb 1.03 0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 30.18 1xnt h VAL 10 CO 0.80 0.00 -0.70 -0.44 -1.01 0.00 0.00 177.57 176.22 1xnt s SER 11 N -4.28 3.48 -0.06 3.17 0.01 -0.29 -5.00 113.70 110.72 1xnt s SER 11 Ca -0.17 -1.15 -0.31 0.00 1.31 0.00 0.00 55.95 55.63 1xnt s SER 11 Cb 0.04 -0.30 0.07 0.00 0.21 0.00 0.00 66.02 66.05 1xnt s SER 11 CO 0.57 -0.17 0.68 0.00 0.41 0.00 0.00 173.24 174.73 1xnt n SER 13 N 1.02 -0.72 0.00 0.00 2.88 0.21 -4.90 113.62 112.12 1xnt n SER 13 Ca -0.19 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1xnt n SER 13 Cb 0.57 0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xnt n SER 14 N -0.25 0.00 -4.13 -3.46 7.64 -1.06 -1.86 113.62 110.49 1xnt n SER 14 Ca 0.04 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.65 1xnt n SER 14 Cb 0.81 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.85 1xnt n SER 14 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xnt s GLN 15 N 0.00 1.94 0.53 1.43 -1.52 -1.26 -4.05 119.66 116.73 1xnt s GLN 15 Ca 0.00 -0.61 -0.08 0.00 -1.95 0.00 0.00 55.36 52.72 1xnt s GLN 15 Cb 0.00 -1.63 0.12 0.00 -0.22 0.00 0.00 33.01 31.27 1xnt s GLN 15 CO 0.00 0.20 0.72 -3.47 -0.25 0.00 0.00 175.29 172.49 1xnt n ASP 16 N 3.31 0.17 -0.04 5.90 -0.08 -0.77 -3.74 116.55 121.30 1xnt n ASP 16 Ca -0.19 -1.33 -0.03 0.00 -1.51 0.00 0.00 54.79 51.73 1xnt n ASP 16 Cb 0.53 -0.54 -0.01 0.00 2.34 0.00 0.00 41.12 43.44 1xnt n ASP 16 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xnt n SER 17 N -3.39 1.07 0.27 1.67 2.88 -1.26 -3.70 113.62 111.15 1xnt n SER 17 Ca 0.09 0.45 -0.15 0.00 -1.33 0.00 0.00 58.87 57.94 1xnt n SER 17 Cb 0.33 -0.71 -0.08 0.00 -0.75 0.00 0.00 64.21 63.00 1xnt n SER 17 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1xnt h THR 18 N -0.59 0.40 -2.22 2.46 1.35 -1.98 -3.27 112.91 109.07 1xnt h THR 18 Ca 0.00 -0.35 -0.79 0.00 -0.55 0.00 0.00 66.41 64.73 1xnt h THR 18 Cb 0.33 0.53 -0.22 0.00 -1.73 0.00 0.00 68.15 67.05 1xnt h THR 18 CO 0.00 0.05 1.35 1.41 -0.25 0.00 0.00 175.52 178.08 1xnt n HIS 19 N -5.30 2.53 -2.38 4.73 8.25 -1.26 -4.95 115.22 116.84 1xnt n HIS 19 Ca -0.11 -2.66 -0.26 0.00 -0.26 0.00 0.00 57.72 54.43 1xnt n HIS 19 Cb 0.32 -1.56 0.04 0.00 1.12 0.00 0.00 29.99 29.92 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 -0.27 1.38 0.00 0.00 0.00 -1.84 -1.15 119.26 117.38 1xnt h ALA 21 Ca -0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xnt h ALA 21 Cb 1.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xnt h ALA 21 CO 0.60 0.04 -0.02 1.49 0.00 0.00 0.00 179.25 181.36 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.92 -0.24 114.58 117.23 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 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1xnt h GLU 22 CO 0.00 0.02 0.00 -0.91 -0.73 0.00 0.00 179.01 177.39 1xnt h ASN 23 N 0.00 0.00 0.43 1.04 2.35 -1.47 -1.14 115.58 116.80 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 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1xnt h ASN 23 CO 0.00 0.00 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.57 1xnt h LEU 24 N 0.00 0.00 -2.83 1.61 3.38 -1.22 -0.95 115.31 115.31 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 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xnt h LEU 24 CO 0.00 0.14 -0.00 -0.07 0.09 0.00 0.00 178.44 178.60 1xnt h LEU 25 N 0.00 0.00 -6.01 1.67 -0.00 -1.37 -2.79 115.31 106.81 1xnt h LEU 25 Ca -0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 57.88 57.17 1xnt h LEU 25 Cb 0.39 0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 40.71 1xnt h LEU 25 CO 0.02 0.00 0.23 0.29 -0.00 0.00 0.00 178.44 178.99 1xnt n LYS 26 N -3.20 4.21 0.11 1.13 4.76 -0.36 -4.83 118.16 119.98 1xnt n LYS 26 Ca -0.03 -4.72 0.20 0.00 -2.87 0.00 0.00 58.31 50.89 1xnt n LYS 26 Cb 0.09 -2.37 0.72 0.00 -1.84 0.00 0.00 35.03 31.63 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xnt h ALA 27 N 3.97 2.07 -2.88 7.82 0.00 -1.68 -3.06 119.26 125.50 1xnt h ALA 27 Ca 0.31 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.57 1xnt h ALA 27 Cb 0.46 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.88 1xnt h ALA 27 CO 1.04 -0.70 -0.48 -0.25 0.00 0.00 0.00 179.25 178.86 1xnt n ASP 28 N -3.54 3.40 0.00 0.00 9.92 -1.26 -4.89 116.55 120.17 1xnt n ASP 28 Ca 0.07 -3.25 0.00 0.00 -0.53 0.00 0.00 54.79 51.08 1xnt n ASP 28 Cb 0.66 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1xnt n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xnt n THR 29 N 1.79 0.00 -1.93 -3.53 -2.24 -1.16 -5.07 114.28 102.15 1xnt n THR 29 Ca 0.22 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1xnt n THR 29 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnt n TYR 30 N 0.00 -0.07 -3.84 4.78 4.11 -1.26 -5.15 117.16 115.72 1xnt n TYR 30 Ca 0.00 -0.09 -0.12 0.00 -0.00 0.00 0.00 57.90 57.70 1xnt n TYR 30 Cb 0.00 0.42 -0.12 0.00 -0.00 0.00 0.00 39.34 39.64 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xnt s ARG 31 N 0.00 0.29 0.00 -3.48 1.81 -1.26 -5.17 118.95 111.14 1xnt s ARG 31 Ca 0.00 -0.03 0.00 0.00 -1.72 0.00 0.00 55.73 53.99 1xnt s ARG 31 Cb 0.02 0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1xnt s ARG 31 CO -0.00 -0.05 0.00 1.63 -0.68 0.00 0.00 175.30 176.19 1xnt n LYS 32 N 2.42 1.63 -3.65 3.54 4.76 -1.26 -4.58 118.16 121.02 1xnt n LYS 32 Ca -0.16 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.91 1xnt n LYS 32 Cb 0.58 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.70 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1xnt s TRP 33 N -0.45 3.58 -0.07 2.13 -0.00 -0.63 -4.46 118.94 119.04 1xnt s TRP 33 Ca 0.00 0.67 -0.03 0.00 -0.00 0.00 0.00 56.10 56.74 1xnt s TRP 33 Cb 0.00 -2.18 0.04 0.00 -0.00 0.00 0.00 33.47 31.33 1xnt s TRP 33 CO 0.00 0.52 0.14 0.50 -0.00 0.00 0.00 176.95 178.11 1xnt s ARG 34 N -0.46 0.05 0.95 5.86 3.52 -1.08 -2.89 118.95 124.89 1xnt s ARG 34 Ca 0.17 0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 56.08 1xnt s ARG 34 Cb -0.14 -0.23 0.06 0.00 -1.56 0.00 0.00 34.95 33.08 1xnt s ARG 34 CO 0.06 -0.23 0.53 0.00 -0.81 0.00 0.00 175.30 174.86 1xnt n ALA 35 N 4.66 -2.30 0.01 6.12 0.00 -0.58 -1.85 120.51 126.57 1xnt n ALA 35 Ca -0.18 -0.60 -0.20 0.00 0.00 0.00 0.00 53.44 52.46 1xnt n ALA 35 Cb 0.51 -1.87 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.63 0.05 -3.00 0.00 0.00 -1.70 -3.33 119.26 109.65 1xnt h ALA 36 Ca -0.43 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1xnt h ALA 36 Cb 1.28 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xnt h ALA 36 CO 0.35 0.56 0.00 1.17 0.00 0.00 0.00 179.25 181.33 1xnt n LYS 37 N -4.10 2.50 -1.66 0.00 3.00 -1.26 -4.84 118.16 111.79 1xnt n LYS 37 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1xnt n LYS 37 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.85 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 0.00 3.14 0.00 -1.26 -4.41 120.51 114.98 1xnt n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xnt n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.12 3.23 3.68 0.00 0.00 -0.98 -4.58 105.19 106.66 1xnt n GLY 39 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.48 -3.93 0.00 1.61 1.02 -1.22 -2.37 120.64 114.28 1xnt n GLU 40 Ca 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1xnt n GLU 40 Cb 0.00 -5.01 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 1xnt n GLU 40 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1xnt n LYS 41 N -4.17 0.00 -4.35 3.49 2.85 -1.21 0.12 118.16 114.88 1xnt n LYS 41 Ca -0.25 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.68 1xnt n LYS 41 Cb 0.66 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.95 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1xnt s THR 42 N 1.37 4.12 -0.02 0.58 -4.23 -1.26 -1.84 115.64 114.36 1xnt s THR 42 Ca 0.00 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.93 1xnt s THR 42 Cb 0.00 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1xnt s THR 42 CO 0.00 0.46 0.16 0.27 -0.54 0.00 0.00 174.62 174.98 1xnt s ILE 43 N -1.00 0.06 0.02 2.99 -4.36 -0.41 -4.97 121.20 113.54 1xnt s ILE 43 Ca 0.17 -0.47 0.08 0.00 -0.26 0.00 0.00 60.65 60.17 1xnt s ILE 43 Cb -0.11 -0.40 -0.02 0.00 1.25 0.00 0.00 42.46 43.17 1xnt s ILE 43 CO 0.07 -0.26 -0.25 -0.44 0.24 0.00 0.00 174.94 174.30 1xnt s SER 44 N -0.95 2.95 -0.26 4.36 0.01 -0.78 0.16 113.70 119.19 1xnt s SER 44 Ca -0.10 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 1xnt s SER 44 Cb -0.06 -0.29 0.14 0.00 0.21 0.00 0.00 66.02 66.03 1xnt s SER 44 CO 0.01 0.26 0.38 0.54 0.41 0.00 0.00 173.24 174.84 1xnt s VAL 45 N -0.71 -0.59 -0.32 3.43 0.11 0.18 0.68 120.40 123.18 1xnt s VAL 45 Ca 0.10 -0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 58.82 1xnt s VAL 45 Cb -0.10 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1xnt s VAL 45 CO 0.01 -0.19 0.50 -0.69 -3.33 0.00 0.00 175.10 171.39 1xnt s VAL 46 N 2.53 5.05 0.12 2.04 1.01 0.11 -0.93 120.40 130.31 1xnt s VAL 46 Ca 0.12 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1xnt s VAL 46 Cb -0.15 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1xnt s VAL 46 CO -0.21 -0.11 0.19 -0.76 0.00 0.00 0.00 175.10 174.22 1xnt s LEU 47 N 2.34 4.13 0.38 3.92 1.02 0.81 -1.14 118.68 130.13 1xnt s LEU 47 Ca 0.19 0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.41 1xnt s LEU 47 Cb -0.16 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.28 1xnt s LEU 47 CO 0.12 0.11 0.63 -1.58 0.02 0.00 0.00 176.35 175.65 1xnt s GLN 48 N -2.86 3.54 -0.20 1.70 -0.44 0.60 -0.36 119.66 121.64 1xnt s GLN 48 Ca 0.33 -0.08 -0.06 0.00 -2.50 0.00 0.00 55.36 53.05 1xnt s GLN 48 Cb -0.12 -2.56 -0.03 0.00 -1.64 0.00 0.00 33.01 28.67 1xnt s GLN 48 CO 0.26 0.04 0.02 -0.51 0.50 0.00 0.00 175.29 175.60 1xnt s LEU 49 N -4.31 3.39 0.00 3.68 2.01 0.15 -2.93 118.68 120.67 1xnt s LEU 49 Ca 0.43 -0.15 0.00 0.00 0.01 0.00 0.00 54.13 54.42 1xnt s LEU 49 Cb -0.10 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.23 1xnt s LEU 49 CO 0.38 0.07 0.73 1.21 1.01 0.00 0.00 176.35 179.75 1xnt n GLU 50 N 4.22 0.00 -3.63 1.70 2.13 -1.18 -4.49 120.64 119.39 1xnt n GLU 50 Ca -0.17 0.26 -0.13 0.00 0.66 0.00 0.00 57.16 57.78 1xnt n GLU 50 Cb 0.52 -1.66 -0.07 0.00 0.27 0.00 0.00 31.44 30.50 1xnt n GLU 50 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xnt s LYS 51 N -2.46 0.75 -0.33 5.31 -2.85 -1.26 -5.03 119.74 113.87 1xnt s LYS 51 Ca 0.00 0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 55.50 1xnt s LYS 51 Cb 0.00 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1xnt s LYS 51 CO 0.00 -0.10 1.32 -2.00 0.10 0.00 0.00 175.35 174.66 1xnt s GLU 52 N 0.22 3.83 0.23 1.78 2.12 -1.26 -4.69 118.70 120.93 1xnt s GLU 52 Ca 0.00 1.15 -0.00 0.00 0.36 0.00 0.00 54.97 56.47 1xnt s GLU 52 Cb -0.05 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1xnt s GLU 52 CO -0.01 -1.23 0.31 -0.85 -0.54 0.00 0.00 175.26 172.95 1xnt n GLU 53 N 7.50 0.45 -2.57 4.30 -0.00 -0.05 -4.77 120.64 125.50 1xnt n GLU 53 Ca 0.15 -1.92 -0.22 0.00 -0.00 0.00 0.00 57.16 55.16 1xnt n GLU 53 Cb 0.47 1.81 0.06 0.00 -0.00 0.00 0.00 31.44 33.79 1xnt n GLU 53 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xnt s GLN 54 N -2.58 2.23 -0.12 3.44 -0.21 -1.26 0.30 119.66 121.46 1xnt s GLN 54 Ca 0.20 -0.82 -0.00 0.00 0.02 0.00 0.00 55.36 54.76 1xnt s GLN 54 Cb -0.00 -2.40 0.02 0.00 1.00 0.00 0.00 33.01 31.63 1xnt s GLN 54 CO 0.15 -1.00 -0.09 0.42 -2.12 0.00 0.00 175.29 172.65 1xnt s ILE 55 N -2.94 1.11 -0.09 1.08 1.09 -0.11 -4.46 121.20 116.89 1xnt s ILE 55 Ca 0.60 -0.34 0.09 0.00 -1.10 0.00 0.00 60.65 59.90 1xnt s ILE 55 Cb -0.09 -1.11 -0.12 0.00 -1.06 0.00 0.00 42.46 40.08 1xnt s ILE 55 CO 0.41 0.38 0.04 1.57 -0.10 0.00 0.00 174.94 177.25 1xnt n HIS 56 N 4.91 0.00 -3.84 3.97 -0.00 -1.13 -4.56 115.22 114.58 1xnt n HIS 56 Ca -0.13 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.95 1xnt n HIS 56 Cb 0.50 -0.45 -0.08 0.00 -0.12 0.00 0.00 29.99 29.84 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 -4.10 0.06 0.11 0.26 0.01 -0.42 -1.07 113.70 108.55 1xnt s SER 57 Ca -0.05 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 1xnt s SER 57 Cb 0.03 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 1xnt s SER 57 CO 0.39 -0.64 0.09 -0.69 0.41 0.00 0.00 173.24 172.80 1xnt s VAL 58 N -3.16 0.13 0.00 3.43 1.01 -0.53 -1.13 120.40 120.15 1xnt s VAL 58 Ca -0.00 -1.70 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1xnt s VAL 58 Cb 0.02 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1xnt s VAL 58 CO -0.07 -0.61 -0.04 -1.81 0.00 0.00 0.00 175.10 172.57 1xnt s ASP 59 N -2.97 0.45 -0.23 3.32 1.11 0.20 -0.02 116.67 118.53 1xnt s ASP 59 Ca 0.16 -0.15 -0.09 0.00 0.18 0.00 0.00 52.55 52.65 1xnt s ASP 59 Cb 0.07 -0.03 0.09 0.00 1.07 0.00 0.00 42.92 44.12 1xnt s ASP 59 CO -0.04 -0.01 0.51 -0.63 1.18 0.00 0.00 175.17 176.18 1xnt s ILE 60 N -0.32 -0.53 -0.22 0.77 1.09 -0.10 0.28 121.20 122.17 1xnt s ILE 60 Ca -0.01 0.09 -0.22 0.00 -1.10 0.00 0.00 60.65 59.41 1xnt s ILE 60 Cb -0.03 -0.78 -0.02 0.00 -1.06 0.00 0.00 42.46 40.58 1xnt s ILE 60 CO -0.00 0.04 0.70 -0.83 -0.10 0.00 0.00 174.94 174.75 1xnt s GLY 61 N 2.33 1.92 -0.05 6.18 0.00 -0.52 -1.20 107.32 115.97 1xnt s GLY 61 Ca -0.05 -0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.12 1xnt s GLY 61 CO -0.15 1.51 1.19 -1.31 0.00 0.00 0.00 173.10 174.34 1xnt s ASN 62 N 1.30 7.06 -0.53 1.64 0.02 0.14 -0.72 114.94 123.86 1xnt s ASN 62 Ca 0.31 1.81 0.07 0.00 -1.02 0.00 0.00 52.86 54.03 1xnt s ASN 62 Cb -0.16 -2.56 0.32 0.00 0.02 0.00 0.00 41.25 38.87 1xnt s ASN 62 CO 0.09 -0.57 0.82 -0.67 0.02 0.00 0.00 177.10 176.80 1xnt n ASP 63 N 5.10 3.12 0.00 -1.22 -0.08 -0.54 0.11 116.55 123.04 1xnt n ASP 63 Ca 0.11 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.99 1xnt n ASP 63 Cb 0.46 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xnt n GLY 64 N 0.25 2.86 3.44 0.27 0.00 -0.66 -3.03 105.19 108.32 1xnt n GLY 64 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xnt n SER 65 N 0.00 -1.64 0.11 1.61 3.41 -1.07 -4.76 113.62 111.28 1xnt n SER 65 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xnt n SER 65 Cb 0.00 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 66 N -4.54 3.00 -2.71 7.33 0.00 -1.26 -4.02 120.51 118.31 1xnt n ALA 66 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1xnt n ALA 66 Cb 0.56 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 3.25 -0.22 0.00 0.08 0.12 0.07 117.98 119.27 1xnt s PHE 67 Ca 0.00 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.16 1xnt s PHE 67 Cb 0.00 -2.28 0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1xnt s PHE 67 CO 0.00 -0.05 -0.08 0.08 -0.10 0.00 0.00 175.22 175.08 1xnt s VAL 68 N 1.27 1.64 -0.07 -0.44 1.01 -0.22 0.71 120.40 124.30 1xnt s VAL 68 Ca 0.07 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1xnt s VAL 68 Cb -0.14 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1xnt s VAL 68 CO 0.06 0.00 0.05 -0.70 0.00 0.00 0.00 175.10 174.51 1xnt s GLU 69 N 1.36 3.08 -0.07 2.72 2.12 -0.46 -0.06 118.70 127.39 1xnt s GLU 69 Ca -0.05 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1xnt s GLU 69 Cb -0.18 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.35 1xnt s GLU 69 CO -0.07 0.70 -0.08 0.08 -0.54 0.00 0.00 175.26 175.35 1xnt s VAL 70 N -0.99 0.91 0.28 3.70 1.01 -0.59 -1.29 120.40 123.43 1xnt s VAL 70 Ca 0.16 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1xnt s VAL 70 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1xnt s VAL 70 CO 0.06 0.32 0.08 -0.76 0.00 0.00 0.00 175.10 174.79 1xnt s LEU 71 N 1.02 3.38 0.28 3.92 1.02 -0.14 -1.71 118.68 126.46 1xnt s LEU 71 Ca -0.08 -0.55 0.10 0.00 0.02 0.00 0.00 54.13 53.61 1xnt s LEU 71 Cb -0.15 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.11 1xnt s LEU 71 CO -0.00 -0.06 -0.15 0.68 0.02 0.00 0.00 176.35 176.83 1xnt s VAL 72 N -2.29 2.21 0.00 -1.59 -7.23 -0.17 -1.42 120.40 109.91 1xnt s VAL 72 Ca 0.33 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1xnt s VAL 72 Cb -0.06 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1xnt s VAL 72 CO 0.22 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1xnt n GLY 73 N -0.61 0.53 3.47 2.32 0.00 -0.87 -0.03 105.19 110.00 1xnt n GLY 73 Ca -0.06 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 1xnt n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnt s SER 74 N 0.00 3.61 -0.05 1.61 0.15 -1.26 -1.20 113.70 116.57 1xnt s SER 74 Ca 0.00 -0.96 0.12 0.00 0.70 0.00 0.00 55.95 55.81 1xnt s SER 74 Cb 0.00 -0.33 0.42 0.00 -1.71 0.00 0.00 66.02 64.40 1xnt s SER 74 CO 0.00 0.06 1.29 -1.54 1.20 0.00 0.00 173.24 174.25 1xnt n SER 75 N -0.39 2.81 0.00 5.45 3.41 -1.26 -4.33 113.62 119.31 1xnt n SER 75 Ca -0.07 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1xnt n SER 75 Cb 0.59 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt n ALA 76 N 0.64 -0.06 -0.05 7.33 0.00 -1.26 -4.63 120.51 122.48 1xnt n ALA 76 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 1xnt n ALA 76 Cb 0.51 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1xnt n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 77 N -0.67 -0.22 3.61 0.00 0.00 -1.26 -4.94 105.19 101.71 1xnt n GLY 77 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1xnt n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xnt s GLY 78 N -4.78 0.80 0.48 -0.02 0.00 -1.26 -4.83 107.32 97.71 1xnt s GLY 78 Ca -0.12 0.70 0.15 0.00 0.00 0.00 0.00 44.72 45.46 1xnt s GLY 78 CO 0.27 3.53 2.06 0.00 0.00 0.00 0.00 173.10 178.97 1xnt h ALA 79 N 13.35 1.82 0.00 3.20 0.00 -1.90 -3.41 119.26 132.32 1xnt h ALA 79 Ca -0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 79 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xnt h ALA 79 CO 0.98 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.77 1xnt n GLY 80 N -1.24 4.33 1.56 0.00 0.00 -1.26 -5.03 105.19 103.55 1xnt n GLY 80 Ca -0.03 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1xnt n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 81 N -1.92 -4.30 -1.75 1.61 1.02 -1.26 -4.56 120.64 109.48 1xnt n GLU 81 Ca 0.00 3.11 -0.21 0.00 -0.02 0.00 0.00 57.16 60.04 1xnt n GLU 81 Cb 0.00 -3.38 -0.07 0.00 -0.02 0.00 0.00 31.44 27.96 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xnt n GLN 82 N 0.56 -1.50 -0.66 3.49 3.00 -1.26 -4.78 117.38 116.23 1xnt n GLN 82 Ca 0.00 1.19 0.02 0.00 -0.01 0.00 0.00 57.00 58.20 1xnt n GLN 82 Cb 0.00 -5.62 0.03 0.00 0.00 0.00 0.00 30.24 24.64 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1xnt n ASP 83 N -1.49 0.53 -3.57 1.08 -0.08 -1.26 -5.09 116.55 106.68 1xnt n ASP 83 Ca -0.22 -2.19 -0.16 0.00 -1.51 0.00 0.00 54.79 50.71 1xnt n ASP 83 Cb 0.68 -0.26 -0.02 0.00 2.34 0.00 0.00 41.12 43.87 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xnt n TYR 84 N -0.10 -0.28 -3.86 -0.67 4.02 -1.26 -4.61 117.16 110.40 1xnt n TYR 84 Ca 0.04 -1.36 -0.14 0.00 -0.01 0.00 0.00 57.90 56.43 1xnt n TYR 84 Cb 0.79 -0.23 -0.15 0.00 -0.02 0.00 0.00 39.34 39.73 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 -3.18 0.04 -0.82 -0.72 2.12 0.96 -4.88 118.70 112.23 1xnt s GLU 85 Ca 0.10 0.06 -0.24 0.00 0.36 0.00 0.00 54.97 55.24 1xnt s GLU 85 Cb -0.01 -0.15 -0.16 0.00 0.26 0.00 0.00 34.13 34.07 1xnt s GLU 85 CO 0.06 -0.06 2.38 0.28 -0.54 0.00 0.00 175.26 177.39 1xnt n VAL 86 N 3.53 0.00 0.16 3.70 0.31 -1.26 -1.00 118.33 123.77 1xnt n VAL 86 Ca -0.19 -0.49 -0.14 0.00 -0.01 0.00 0.00 64.34 63.52 1xnt n VAL 86 Cb 0.56 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 1xnt n VAL 86 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1xnt h LEU 87 N 21.57 -0.34 -7.41 7.52 5.85 -1.81 -3.42 115.31 137.26 1xnt h LEU 87 Ca 0.00 -0.15 -0.38 0.00 0.84 0.00 0.00 57.88 58.20 1xnt h LEU 87 Cb 1.01 0.09 -0.38 0.00 0.37 0.00 0.00 40.66 41.75 1xnt h LEU 87 CO 1.06 -0.03 -0.75 -1.48 -0.34 0.00 0.00 178.44 176.90 1xnt s LEU 88 N -9.65 0.48 0.00 2.25 0.05 -0.70 -1.05 118.68 110.07 1xnt s LEU 88 Ca -0.15 0.02 -0.14 0.00 0.05 0.00 0.00 54.13 53.92 1xnt s LEU 88 Cb 0.03 -0.21 0.22 0.00 -2.05 0.00 0.00 46.19 44.17 1xnt s LEU 88 CO 0.58 -0.20 0.49 1.33 -0.55 0.00 0.00 176.35 177.99 1xnt n VAL 89 N 4.99 0.00 -2.23 1.48 0.24 -1.26 -1.54 118.33 120.01 1xnt n VAL 89 Ca -0.10 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.79 1xnt n VAL 89 Cb 0.50 -0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 32.28 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 -1.75 3.13 -0.19 3.34 -1.32 -1.26 -4.18 115.64 113.41 1xnt s THR 90 Ca 0.38 1.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.82 1xnt s THR 90 Cb -0.07 -3.64 -0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1xnt s THR 90 CO 0.32 0.18 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.95 1xnt s SER 91 N -0.03 4.74 -0.59 8.08 1.04 0.91 -4.69 113.70 123.16 1xnt s SER 91 Ca 0.53 -0.21 -0.26 0.00 0.48 0.00 0.00 55.95 56.50 1xnt s SER 91 Cb -0.37 -1.80 0.04 0.00 0.10 0.00 0.00 66.02 64.00 1xnt s SER 91 CO 0.42 0.09 1.06 -0.94 0.98 0.00 0.00 173.24 174.85 1xnt s SER 92 N 0.86 6.34 -0.25 7.02 1.04 -1.24 -1.06 113.70 126.41 1xnt s SER 92 Ca 0.00 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.07 1xnt s SER 92 Cb -0.14 -2.49 -0.12 0.00 0.10 0.00 0.00 66.02 63.37 1xnt s SER 92 CO 0.02 -1.40 -0.29 0.49 0.98 0.00 0.00 173.24 173.04 1xnt n PHE 93 N 8.01 0.00 -4.50 5.02 3.72 0.11 -4.98 117.46 124.84 1xnt n PHE 93 Ca 0.03 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.16 1xnt n PHE 93 Cb 0.48 -0.91 -0.05 0.00 -0.94 0.00 0.00 39.48 38.07 1xnt n PHE 93 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1xnt n MET 94 N -3.85 0.88 -4.26 -1.08 1.56 -1.25 -5.05 117.12 104.08 1xnt n MET 94 Ca -0.47 -3.22 -0.27 0.00 -0.27 0.00 0.00 57.70 53.46 1xnt n MET 94 Cb 0.88 0.76 -0.06 0.00 2.15 0.00 0.00 33.22 36.95 1xnt n MET 94 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1xnt s SER 95 N -3.55 4.36 -0.09 6.12 1.04 -1.26 -4.61 113.70 115.71 1xnt s SER 95 Ca 0.06 -1.27 0.06 0.00 0.48 0.00 0.00 55.95 55.28 1xnt s SER 95 Cb -0.00 -0.05 0.33 0.00 0.10 0.00 0.00 66.02 66.40 1xnt s SER 95 CO 0.04 -0.73 1.04 -0.81 0.98 0.00 0.00 173.24 173.76 1xnt n PRO 96 N -1.34 2.51 -0.01 4.02 -0.04 -1.26 -4.15 135.00 134.74 1xnt n PRO 96 Ca -0.06 -1.28 -0.03 0.00 -0.04 0.00 0.00 63.50 62.10 1xnt n PRO 96 Cb 0.65 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1xnt n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xnt n SER 97 N 0.27 0.16 0.31 3.54 7.64 -1.26 -4.63 113.62 119.66 1xnt n SER 97 Ca 0.11 0.03 0.19 0.00 1.01 0.00 0.00 58.87 60.21 1xnt n SER 97 Cb 0.60 -0.07 1.02 0.00 -1.01 0.00 0.00 64.21 64.75 1xnt n SER 97 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xnt h GLU 98 N -0.08 0.00 -1.12 1.43 3.07 -1.86 -2.64 114.58 113.37 1xnt h GLU 98 Ca -0.06 0.00 0.32 0.00 -0.50 0.00 0.00 59.36 59.12 1xnt h GLU 98 Cb 1.05 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 1xnt h GLU 98 CO -0.04 0.00 0.96 0.66 -1.40 0.00 0.00 179.01 179.19 1xnt h SER 99 N 0.00 0.00 0.00 1.42 4.64 -1.81 -3.09 113.55 114.71 1xnt h SER 99 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xnt h SER 99 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1xnt h SER 99 CO -0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1xnt n ARG 100 N -3.79 0.00 -2.06 4.77 0.00 -0.99 -4.85 116.66 109.74 1xnt n ARG 100 Ca 0.24 0.03 -0.03 0.00 -0.00 0.00 0.00 57.85 58.09 1xnt n ARG 100 Cb 1.32 -0.23 0.06 0.00 -0.00 0.00 0.00 32.46 33.61 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 -1.44 -1.15 0.12 2.89 2.88 -1.20 -4.84 113.62 110.88 1xnt n SER 101 Ca 0.00 -1.96 -0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1xnt n SER 101 Cb 0.00 0.50 0.06 0.00 -0.75 0.00 0.00 64.21 64.02 1xnt n SER 101 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1xnt h GLY 102 N 0.62 0.00 0.00 0.46 0.00 -1.71 -3.48 103.07 98.96 1xnt h GLY 102 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1xnt h GLY 102 CO -0.19 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.79 1xnt n SER 103 N -3.40 0.00 -4.09 0.19 7.64 -1.26 -4.94 113.62 107.75 1xnt n SER 103 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1xnt n SER 103 Cb 0.74 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.86 1xnt n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xnt s ASN 104 N -4.00 5.43 0.44 6.43 2.20 -1.26 -4.89 114.94 119.29 1xnt s ASN 104 Ca 0.00 -3.11 0.23 0.00 -0.94 0.00 0.00 52.86 49.03 1xnt s ASN 104 Cb 0.00 -1.87 0.98 0.00 -2.00 0.00 0.00 41.25 38.36 1xnt s ASN 104 CO 0.00 -0.31 1.86 1.55 -2.94 0.00 0.00 177.10 177.26 1xnt h PRO 105 N 6.72 0.00 -4.45 3.55 0.13 -1.86 -3.43 132.00 132.66 1xnt h PRO 105 Ca 0.04 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.89 1xnt h PRO 105 Cb 0.91 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.82 1xnt h PRO 105 CO 0.75 0.24 -0.73 -0.80 -0.23 0.00 0.00 178.00 177.23 1xnt s ASN 106 N -6.28 0.74 0.00 1.44 0.02 -1.26 -1.65 114.94 107.95 1xnt s ASN 106 Ca -0.01 -0.46 0.00 0.00 -1.02 0.00 0.00 52.86 51.38 1xnt s ASN 106 Cb 0.11 0.02 0.00 0.00 0.02 0.00 0.00 41.25 41.41 1xnt s ASN 106 CO 0.64 -0.16 0.00 -1.14 0.02 0.00 0.00 177.10 176.46 1xnt n ARG 107 N 1.76 0.00 -3.93 -0.60 0.63 0.30 -4.97 116.66 109.85 1xnt n ARG 107 Ca -0.21 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.55 1xnt n ARG 107 Cb 0.55 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.30 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1xnt s VAL 108 N -2.86 0.18 0.03 5.15 1.01 -1.26 0.26 120.40 122.91 1xnt s VAL 108 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1xnt s VAL 108 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1xnt s VAL 108 CO 0.00 0.15 -0.06 -0.13 0.00 0.00 0.00 175.10 175.06 1xnt s ARG 109 N 1.02 0.44 0.21 2.72 1.81 -0.34 -4.82 118.95 119.99 1xnt s ARG 109 Ca -0.10 -0.72 0.02 0.00 -1.72 0.00 0.00 55.73 53.21 1xnt s ARG 109 Cb -0.14 -0.11 -0.05 0.00 -0.45 0.00 0.00 34.95 34.21 1xnt s ARG 109 CO -0.02 0.00 0.04 -1.64 -0.68 0.00 0.00 175.30 173.00 1xnt s MET 110 N -1.64 1.24 0.42 3.54 -1.94 -1.26 -0.92 119.30 118.74 1xnt s MET 110 Ca -0.12 -1.63 0.06 0.00 -1.71 0.00 0.00 55.69 52.30 1xnt s MET 110 Cb -0.09 -0.29 -0.07 0.00 2.01 0.00 0.00 34.83 36.39 1xnt s MET 110 CO -0.01 -0.19 0.02 -0.06 -0.01 0.00 0.00 175.02 174.77 1xnt s PHE 111 N -3.68 2.43 0.00 -0.03 0.40 0.98 -4.96 117.98 113.13 1xnt s PHE 111 Ca 0.29 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1xnt s PHE 111 Cb 0.07 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1xnt s PHE 111 CO 0.08 0.41 0.00 0.41 0.70 0.00 0.00 175.22 176.82 1xnt n GLY 112 N -1.02 5.16 0.17 4.36 0.00 -1.26 -1.46 105.19 111.14 1xnt n GLY 112 Ca -0.07 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 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 0.52 0.00 1.61 0.13 -1.45 -3.17 132.00 129.65 1xnt h PRO 113 Ca 0.00 -0.57 -0.03 0.00 -0.87 0.00 0.00 66.00 64.52 1xnt h PRO 113 Cb 0.00 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1xnt h PRO 113 CO 0.00 1.20 -0.16 -0.44 -0.23 0.00 0.00 178.00 178.36 1xnt h ASP 114 N 0.29 0.00 -0.13 1.44 5.19 -1.97 -1.71 116.42 119.53 1xnt h ASP 114 Ca -0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1xnt h ASP 114 Cb 1.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1xnt h ASP 114 CO 0.18 0.16 0.00 0.29 -3.12 0.00 0.00 179.24 176.76 1xnt n LYS 115 N -3.78 1.99 -5.04 3.56 4.01 -1.21 -4.89 118.16 112.80 1xnt n LYS 115 Ca -0.02 -1.46 -0.28 0.00 -0.51 0.00 0.00 58.31 56.04 1xnt n LYS 115 Cb 0.27 -1.46 -0.15 0.00 -0.51 0.00 0.00 35.03 33.18 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 -1.78 2.07 0.35 -0.35 0.05 -0.64 -4.03 118.68 114.34 1xnt s LEU 116 Ca 0.34 -0.45 -0.29 0.00 0.05 0.00 0.00 54.13 53.79 1xnt s LEU 116 Cb 0.20 -1.16 -0.11 0.00 -2.05 0.00 0.00 46.19 43.07 1xnt s LEU 116 CO 0.30 0.26 1.49 0.54 -0.55 0.00 0.00 176.35 178.39 1xnt s VAL 117 N -0.60 2.15 0.12 1.48 0.11 -0.21 -4.84 120.40 118.61 1xnt s VAL 117 Ca 0.09 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 1xnt s VAL 117 Cb -0.09 -3.09 -0.21 0.00 -1.53 0.00 0.00 36.38 31.46 1xnt s VAL 117 CO -0.00 0.03 1.27 0.03 -3.33 0.00 0.00 175.10 173.10 1xnt h ARG 118 N 3.54 0.18 0.00 1.54 2.47 -1.93 0.41 114.38 120.58 1xnt h ARG 118 Ca -0.50 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 57.97 1xnt h ARG 118 Cb 1.23 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1xnt h ARG 118 CO 0.68 1.06 0.00 0.00 0.56 0.00 0.00 179.97 182.27 1xnt h ALA 119 N 0.84 1.00 0.00 0.04 0.00 -2.00 -3.15 119.26 115.99 1xnt h ALA 119 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1xnt h ALA 119 Cb 1.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1xnt h ALA 119 CO 0.16 0.00 -1.21 0.00 0.00 0.00 0.00 179.25 178.19 1xnt n ALA 120 N -1.98 2.39 -0.34 0.00 0.00 -1.19 -4.56 120.51 114.83 1xnt n ALA 120 Ca 0.00 -0.16 0.17 0.00 0.00 0.00 0.00 53.44 53.46 1xnt n ALA 120 Cb 0.21 0.43 0.39 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.08 1.82 -0.01 0.00 0.00 -0.29 0.85 119.26 121.56 1xnt h ALA 121 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xnt h ALA 121 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xnt h ALA 121 CO -0.04 -0.27 0.00 -0.85 0.00 0.00 0.00 179.25 178.09 1xnt n GLU 122 N -4.83 1.09 -3.48 0.00 -0.00 -1.19 -0.93 120.64 111.30 1xnt n GLU 122 Ca 0.26 -0.14 -0.37 0.00 -0.00 0.00 0.00 57.16 56.91 1xnt n GLU 122 Cb 0.73 -1.44 -0.06 0.00 -0.00 0.00 0.00 31.44 30.66 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 -1.99 4.11 -0.27 3.44 1.02 0.30 -4.85 119.74 121.50 1xnt s LYS 123 Ca 0.42 0.30 -0.29 0.00 0.02 0.00 0.00 55.97 56.42 1xnt s LYS 123 Cb 0.19 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1xnt s LYS 123 CO 0.32 0.41 1.72 1.03 -0.92 0.00 0.00 175.35 177.91 1xnt s ARG 124 N -0.14 3.57 0.36 1.68 0.52 -1.26 -4.32 118.95 119.36 1xnt s ARG 124 Ca 0.22 1.57 0.08 0.00 -0.52 0.00 0.00 55.73 57.08 1xnt s ARG 124 Cb -0.15 -4.12 -0.05 0.00 0.52 0.00 0.00 34.95 31.15 1xnt s ARG 124 CO 0.09 -1.57 0.07 -1.58 0.02 0.00 0.00 175.30 172.33 1xnt s TRP 125 N 6.03 2.58 -0.00 -0.53 0.52 0.15 -4.69 118.94 123.01 1xnt s TRP 125 Ca 0.76 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.40 1xnt s TRP 125 Cb -0.24 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.44 1xnt s TRP 125 CO 0.32 0.39 0.62 -0.40 0.02 0.00 0.00 176.95 177.90 1xnt n ASP 126 N -1.05 0.04 -3.79 2.95 5.68 -0.60 -0.87 116.55 118.90 1xnt n ASP 126 Ca -0.03 -1.25 -0.13 0.00 -0.50 0.00 0.00 54.79 52.88 1xnt n ASP 126 Cb 0.63 -0.05 -0.11 0.00 -1.14 0.00 0.00 41.12 40.45 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1xnt s ARG 127 N -0.02 0.33 0.02 0.11 0.52 -0.34 0.29 118.95 119.86 1xnt s ARG 127 Ca 0.00 0.25 0.04 0.00 -0.52 0.00 0.00 55.73 55.50 1xnt s ARG 127 Cb 0.00 0.16 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 1xnt s ARG 127 CO 0.00 -0.05 -0.11 0.54 0.02 0.00 0.00 175.30 175.69 1xnt s VAL 128 N -0.09 0.90 -0.31 3.52 0.11 0.52 -2.04 120.40 123.00 1xnt s VAL 128 Ca -0.02 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.19 1xnt s VAL 128 Cb -0.02 -0.81 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1xnt s VAL 128 CO 0.01 0.05 0.10 -0.75 -3.33 0.00 0.00 175.10 171.18 1xnt s LYS 129 N -0.80 3.06 -0.31 1.54 2.20 -0.51 -0.14 119.74 124.79 1xnt s LYS 129 Ca 0.01 -0.89 -0.09 0.00 -0.36 0.00 0.00 55.97 54.65 1xnt s LYS 129 Cb -0.06 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1xnt s LYS 129 CO 0.00 -0.48 0.13 0.42 -0.36 0.00 0.00 175.35 175.06 1xnt s ILE 130 N 1.51 4.41 -0.20 5.43 -1.09 -0.11 -0.96 121.20 130.19 1xnt s ILE 130 Ca 0.02 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1xnt s ILE 130 Cb -0.18 -3.25 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1xnt s ILE 130 CO 0.03 0.08 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.99 1xnt s VAL 131 N 1.58 1.86 0.38 2.92 1.01 -0.41 0.52 120.40 128.25 1xnt s VAL 131 Ca 0.04 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1xnt s VAL 131 Cb -0.17 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1xnt s VAL 131 CO 0.05 0.29 0.68 0.00 0.00 0.00 0.00 175.10 176.12 1xnt s SER 133 N -3.49 -0.44 0.00 0.00 0.01 0.22 -1.28 113.70 108.72 1xnt s SER 133 Ca 0.47 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1xnt s SER 133 Cb -0.10 0.87 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1xnt s SER 133 CO 0.35 -0.20 0.00 1.67 0.41 0.00 0.00 173.24 175.47 1xnt n GLN 134 N 4.51 0.00 -2.79 12.44 -0.06 -0.77 -0.70 117.38 130.02 1xnt n GLN 134 Ca -0.20 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.37 1xnt n GLN 134 Cb 0.54 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.69 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1xnt s PRO 135 N -2.75 3.54 0.00 3.69 0.04 -1.21 -3.34 135.00 134.97 1xnt s PRO 135 Ca 0.00 -1.41 0.28 0.00 0.04 0.00 0.00 61.00 59.91 1xnt s PRO 135 Cb 0.00 -4.97 1.07 0.00 0.04 0.00 0.00 34.50 30.64 1xnt s PRO 135 CO 0.00 -1.94 1.76 2.48 0.04 0.00 0.00 177.00 179.34 1xnt n TYR 136 N 7.53 0.00 -2.68 0.56 4.11 0.33 -4.79 117.16 122.21 1xnt n TYR 136 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.14 1xnt n TYR 136 Cb 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1xnt n SER 137 N 0.05 0.00 0.00 9.48 2.88 -1.00 -4.70 113.62 120.33 1xnt n SER 137 Ca 0.19 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1xnt n SER 137 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.00 0.01 -0.00 -1.46 5.02 -1.23 -4.36 118.16 116.14 1xnt n LYS 138 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1xnt n LYS 138 Cb 0.00 -0.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 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 -1.49 1.70 -4.76 4.39 5.68 -1.26 -2.33 116.55 118.48 1xnt n ASP 139 Ca 0.00 -0.36 -0.34 0.00 -0.50 0.00 0.00 54.79 53.59 1xnt n ASP 139 Cb 0.03 1.05 -0.08 0.00 -1.14 0.00 0.00 41.12 40.98 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 -1.69 5.63 0.79 -1.12 1.04 -1.26 -4.48 113.70 112.61 1xnt s SER 140 Ca 0.00 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.58 1xnt s SER 140 Cb 0.02 -1.65 0.14 0.00 0.10 0.00 0.00 66.02 64.64 1xnt s SER 140 CO 0.13 0.34 1.09 -2.16 0.98 0.00 0.00 173.24 173.61 1xnt s PRO 141 N -1.27 1.43 0.00 4.02 0.04 -1.26 -3.09 135.00 134.86 1xnt s PRO 141 Ca 0.18 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1xnt s PRO 141 Cb -0.12 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1xnt s PRO 141 CO 0.07 -1.70 0.00 1.19 0.04 0.00 0.00 177.00 176.61 1xnt n PHE 142 N -3.10 0.00 0.00 0.56 3.72 -1.26 -4.90 117.46 112.47 1xnt n PHE 142 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1xnt n PHE 142 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.73 3.22 1.37 0.00 -1.17 -1.53 105.19 106.35 1xnt n GLY 143 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 1xnt n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xnt s LEU 144 N 0.00 2.52 0.40 0.99 2.34 -1.14 -1.46 118.68 122.33 1xnt s LEU 144 Ca 0.00 -1.01 0.21 0.00 0.06 0.00 0.00 54.13 53.39 1xnt s LEU 144 Cb 0.00 -0.25 0.37 0.00 -0.56 0.00 0.00 46.19 45.75 1xnt s LEU 144 CO 0.00 -0.38 1.60 0.28 -1.06 0.00 0.00 176.35 176.79 1xnt h SER 145 N 2.84 0.00 0.00 1.48 0.02 -1.17 -1.66 113.55 115.07 1xnt h SER 145 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1xnt h SER 145 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1xnt h SER 145 CO 0.64 0.17 0.00 2.22 -1.14 0.00 0.00 176.83 178.72 1xnt n PHE 146 N -3.16 0.00 -3.68 3.45 -1.74 -1.25 -4.51 117.46 106.58 1xnt n PHE 146 Ca 0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.83 1xnt n PHE 146 Cb 0.57 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.48 1xnt n PHE 146 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1xnt s VAL 147 N -2.00 -0.08 -0.11 1.97 -7.23 -1.26 -1.44 120.40 110.25 1xnt s VAL 147 Ca 0.00 0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.20 1xnt s VAL 147 Cb 0.00 -0.74 0.05 0.00 0.56 0.00 0.00 36.38 36.25 1xnt s VAL 147 CO 0.00 0.03 0.08 -0.13 -0.31 0.00 0.00 175.10 174.76 1xnt s ARG 148 N 1.58 0.00 0.42 4.82 0.52 0.14 -4.94 118.95 121.50 1xnt s ARG 148 Ca -0.09 0.12 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 1xnt s ARG 148 Cb -0.08 -1.25 -0.05 0.00 0.52 0.00 0.00 34.95 34.09 1xnt s ARG 148 CO -0.15 -0.52 0.73 -0.06 0.02 0.00 0.00 175.30 175.32 1xnt s PHE 149 N 2.15 3.51 -0.20 -0.53 0.08 -1.17 0.58 117.98 122.41 1xnt s PHE 149 Ca 0.03 0.85 -0.16 0.00 0.12 0.00 0.00 56.93 57.78 1xnt s PHE 149 Cb -0.14 -2.31 0.05 0.00 -0.57 0.00 0.00 43.02 40.06 1xnt s PHE 149 CO -0.06 -0.13 0.51 -3.38 -0.10 0.00 0.00 175.22 172.05 1xnt s HIS 150 N -2.49 -0.62 -2.52 0.36 -3.43 -0.28 -0.49 115.29 105.83 1xnt s HIS 150 Ca 0.48 1.43 0.28 0.00 -0.80 0.00 0.00 55.06 56.45 1xnt s HIS 150 Cb -0.10 0.25 1.02 0.00 -1.43 0.00 0.00 32.58 32.32 1xnt s HIS 150 CO 0.37 -0.31 1.73 0.45 -2.00 0.00 0.00 174.74 174.98