#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 3.22 -4.43 2.12 -0.04 -1.26 -4.93 135.00 129.69 1xnt n PRO 2 Ca 0.00 -3.24 -0.23 0.00 -0.04 0.00 0.00 63.50 59.99 1xnt n PRO 2 Cb 0.00 -3.22 -0.08 0.00 -0.04 0.00 0.00 33.50 30.16 1xnt n PRO 2 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xnt s GLU 3 N 2.52 1.87 0.06 0.54 0.41 -1.26 -3.71 118.70 119.13 1xnt s GLU 3 Ca 0.46 -2.12 0.07 0.00 -0.41 0.00 0.00 54.97 52.98 1xnt s GLU 3 Cb 0.07 -0.24 -0.03 0.00 -1.78 0.00 0.00 34.13 32.15 1xnt s GLU 3 CO -0.00 -0.55 -0.20 0.42 -0.49 0.00 0.00 175.26 174.43 1xnt s ILE 4 N -3.31 1.63 -0.02 -1.63 -1.09 -1.08 -4.45 121.20 111.24 1xnt s ILE 4 Ca 0.30 -1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.42 1xnt s ILE 4 Cb 0.02 -1.44 0.02 0.00 -1.58 0.00 0.00 42.46 39.48 1xnt s ILE 4 CO 0.19 0.10 0.04 -0.13 -1.23 0.00 0.00 174.94 173.91 1xnt s ARG 5 N -1.41 0.01 0.22 2.79 0.52 -1.26 -4.54 118.95 115.27 1xnt s ARG 5 Ca 0.06 0.13 -0.19 0.00 -0.52 0.00 0.00 55.73 55.21 1xnt s ARG 5 Cb -0.09 -0.11 -0.08 0.00 0.52 0.00 0.00 34.95 35.18 1xnt s ARG 5 CO 0.03 -0.09 0.72 -0.51 0.02 0.00 0.00 175.30 175.47 1xnt s LEU 6 N 0.56 4.34 -0.23 2.53 2.01 -1.26 -0.79 118.68 125.84 1xnt s LEU 6 Ca -0.05 1.41 -0.18 0.00 0.01 0.00 0.00 54.13 55.33 1xnt s LEU 6 Cb -0.07 -3.59 -0.15 0.00 0.01 0.00 0.00 46.19 42.40 1xnt s LEU 6 CO -0.02 0.03 -0.08 -1.14 1.01 0.00 0.00 176.35 176.15 1xnt n ARG 7 N 0.71 0.57 -3.75 1.70 0.63 0.27 -4.67 116.66 112.11 1xnt n ARG 7 Ca -0.02 0.42 -0.08 0.00 -0.92 0.00 0.00 57.85 57.25 1xnt n ARG 7 Cb 0.51 -1.62 -0.02 0.00 0.45 0.00 0.00 32.46 31.78 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 -2.44 -0.26 -1.01 -0.14 -3.43 -1.23 -5.01 115.29 101.77 1xnt s HIS 8 Ca -0.33 -0.13 -0.23 0.00 -0.80 0.00 0.00 55.06 53.57 1xnt s HIS 8 Cb 0.10 0.67 0.04 0.00 -1.43 0.00 0.00 32.58 31.95 1xnt s HIS 8 CO 0.52 -1.11 1.52 0.54 -2.00 0.00 0.00 174.74 174.21 1xnt s VAL 9 N -3.80 3.86 0.12 -5.38 0.11 -1.26 0.05 120.40 114.09 1xnt s VAL 9 Ca 0.09 -0.71 -0.33 0.00 -2.93 0.00 0.00 61.98 58.10 1xnt s VAL 9 Cb -0.04 -4.92 -0.11 0.00 -1.53 0.00 0.00 36.38 29.77 1xnt s VAL 9 CO 0.02 -1.81 1.57 1.62 -3.33 0.00 0.00 175.10 173.17 1xnt h VAL 10 N 6.85 0.05 -2.80 2.04 3.04 -1.66 -3.43 116.25 120.34 1xnt h VAL 10 Ca 0.19 0.00 -0.51 0.00 -1.01 0.00 0.00 66.70 65.37 1xnt h VAL 10 Cb 1.01 0.05 -0.15 0.00 -2.01 0.00 0.00 31.29 30.19 1xnt h VAL 10 CO 1.40 0.00 -0.75 -0.44 -1.01 0.00 0.00 177.57 176.77 1xnt s SER 11 N -4.78 2.87 -0.19 3.17 0.01 -0.34 -5.01 113.70 109.43 1xnt s SER 11 Ca -0.16 -0.99 -0.15 0.00 1.31 0.00 0.00 55.95 55.97 1xnt s SER 11 Cb 0.07 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.17 1xnt s SER 11 CO 0.62 -0.08 0.48 0.00 0.41 0.00 0.00 173.24 174.67 1xnt n SER 13 N 3.35 3.13 0.00 0.00 2.88 0.20 -4.93 113.62 118.26 1xnt n SER 13 Ca -0.17 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 1xnt n SER 13 Cb 0.56 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1xnt n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xnt n SER 14 N -0.40 0.00 -3.57 -3.46 3.41 -1.08 -2.04 113.62 106.49 1xnt n SER 14 Ca 0.24 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.69 1xnt n SER 14 Cb 0.79 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 1xnt n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xnt s GLN 15 N 0.00 0.95 0.00 4.33 1.03 -1.26 -4.38 119.66 120.33 1xnt s GLN 15 Ca 0.00 0.55 0.00 0.00 0.04 0.00 0.00 55.36 55.95 1xnt s GLN 15 Cb 0.00 0.46 0.00 0.00 0.03 0.00 0.00 33.01 33.50 1xnt s GLN 15 CO 0.00 -0.23 0.00 -0.25 -2.54 0.00 0.00 175.29 172.27 1xnt n ASP 16 N 1.61 0.00 -0.07 12.60 8.00 -0.91 -3.34 116.55 134.44 1xnt n ASP 16 Ca -0.17 -0.81 -0.05 0.00 0.71 0.00 0.00 54.79 54.47 1xnt n ASP 16 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 1xnt n ASP 16 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xnt n SER 17 N -2.43 1.77 0.39 -2.24 2.88 -1.26 -3.69 113.62 109.04 1xnt n SER 17 Ca 0.00 0.62 -0.16 0.00 -1.33 0.00 0.00 58.87 58.00 1xnt n SER 17 Cb 0.00 -0.86 -0.07 0.00 -0.75 0.00 0.00 64.21 62.53 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 -0.98 0.00 -3.00 2.46 1.35 -1.99 -3.30 112.91 107.45 1xnt h THR 18 Ca 0.00 -0.15 -0.79 0.00 -0.55 0.00 0.00 66.41 64.93 1xnt h THR 18 Cb 0.52 0.00 -0.25 0.00 -1.73 0.00 0.00 68.15 66.69 1xnt h THR 18 CO 0.00 0.00 0.82 1.41 -0.25 0.00 0.00 175.52 177.50 1xnt n HIS 19 N -5.12 4.52 -2.55 4.73 8.25 -1.26 -4.98 115.22 118.80 1xnt n HIS 19 Ca -0.13 -3.48 -0.23 0.00 -0.26 0.00 0.00 57.72 53.62 1xnt n HIS 19 Cb 0.40 -1.74 0.04 0.00 1.12 0.00 0.00 29.99 29.80 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 -0.08 1.27 0.00 0.00 0.00 -1.85 -1.31 119.26 117.29 1xnt h ALA 21 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 21 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xnt h ALA 21 CO 0.56 0.08 0.00 1.49 0.00 0.00 0.00 179.25 181.38 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.92 -0.91 114.58 116.56 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 0.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1xnt h GLU 22 CO 0.01 0.00 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.37 1xnt h ASN 23 N 0.00 0.00 0.44 1.04 2.35 -1.49 -1.06 115.58 116.86 1xnt h ASN 23 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xnt h ASN 23 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1xnt h ASN 23 CO 0.00 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.53 1xnt h LEU 24 N 0.00 0.00 -2.75 1.61 3.38 -1.36 -0.94 115.31 115.24 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 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xnt h LEU 24 CO 0.00 0.19 -0.00 -0.07 0.09 0.00 0.00 178.44 178.65 1xnt h LEU 25 N 0.00 0.00 -6.11 1.67 -0.00 -1.37 -2.89 115.31 106.61 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 0.46 0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 40.77 1xnt h LEU 25 CO 0.02 0.00 0.20 0.29 -0.00 0.00 0.00 178.44 178.96 1xnt n LYS 26 N -3.10 4.07 0.13 1.13 4.76 -0.36 -4.84 118.16 119.95 1xnt n LYS 26 Ca -0.02 -4.70 0.19 0.00 -2.87 0.00 0.00 58.31 50.91 1xnt n LYS 26 Cb 0.11 -2.37 0.74 0.00 -1.84 0.00 0.00 35.03 31.66 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 4.12 2.01 -3.06 7.82 0.00 -1.69 -3.11 119.26 125.35 1xnt h ALA 27 Ca 0.29 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.55 1xnt h ALA 27 Cb 0.50 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.90 1xnt h ALA 27 CO 1.05 -0.65 -0.50 0.34 0.00 0.00 0.00 179.25 179.49 1xnt s ASP 28 N -5.01 4.99 0.00 0.00 2.15 -1.26 -4.87 116.67 112.67 1xnt s ASP 28 Ca -0.04 -3.83 0.00 0.00 0.43 0.00 0.00 52.55 49.11 1xnt s ASP 28 Cb 0.14 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 41.08 1xnt s ASP 28 CO 0.48 -0.10 0.00 0.35 -0.17 0.00 0.00 175.17 175.73 1xnt n THR 29 N 2.04 0.00 0.00 1.71 -2.24 -1.18 -5.09 114.28 109.52 1xnt n THR 29 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1xnt n THR 29 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.60 0.00 -2.79 4.78 0.18 -1.26 -5.14 117.16 112.34 1xnt n TYR 30 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1xnt n TYR 30 Cb 0.00 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.89 1xnt n TYR 30 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1xnt s ARG 31 N -0.64 4.26 0.00 -3.48 3.52 -1.26 -5.07 118.95 116.29 1xnt s ARG 31 Ca 0.00 1.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 1xnt s ARG 31 Cb 0.00 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1xnt s ARG 31 CO 0.00 -0.00 0.00 1.63 -0.81 0.00 0.00 175.30 176.12 1xnt n LYS 32 N -0.43 1.78 -3.42 5.12 5.02 -1.26 -4.73 118.16 120.24 1xnt n LYS 32 Ca 0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.98 1xnt n LYS 32 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1xnt s TRP 33 N -0.69 3.70 -0.09 2.13 -0.00 -0.48 -4.39 118.94 119.13 1xnt s TRP 33 Ca 0.00 1.05 -0.04 0.00 -0.00 0.00 0.00 56.10 57.11 1xnt s TRP 33 Cb 0.00 -2.34 0.05 0.00 -0.00 0.00 0.00 33.47 31.17 1xnt s TRP 33 CO 0.00 0.57 0.19 0.50 -0.00 0.00 0.00 176.95 178.21 1xnt s ARG 34 N -1.39 0.12 0.66 5.86 3.52 -1.12 -3.25 118.95 123.35 1xnt s ARG 34 Ca 0.29 0.50 -0.17 0.00 -0.13 0.00 0.00 55.73 56.23 1xnt s ARG 34 Cb -0.17 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1xnt s ARG 34 CO 0.17 -0.21 0.75 0.00 -0.81 0.00 0.00 175.30 175.20 1xnt n ALA 35 N 4.57 -0.67 0.28 6.12 0.00 0.88 -2.14 120.51 129.56 1xnt n ALA 35 Ca -0.20 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.28 1xnt n ALA 35 Cb 0.51 -1.98 0.85 0.00 0.00 0.00 0.00 19.45 18.84 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 1.33 -3.68 0.00 0.00 -1.75 -3.36 119.26 111.82 1xnt h ALA 36 Ca -0.47 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1xnt h ALA 36 Cb 1.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1xnt h ALA 36 CO 0.47 0.07 -0.15 0.36 0.00 0.00 0.00 179.25 180.00 1xnt n LYS 37 N -3.64 0.25 -0.34 0.00 2.85 -1.26 -4.75 118.16 111.27 1xnt n LYS 37 Ca -0.02 -1.11 0.00 0.00 -1.05 0.00 0.00 58.31 56.13 1xnt n LYS 37 Cb 0.16 0.86 0.00 0.00 -0.65 0.00 0.00 35.03 35.40 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xnt n ALA 38 N -2.26 0.00 -3.37 0.58 0.00 -1.26 -4.33 120.51 109.87 1xnt n ALA 38 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 1xnt n ALA 38 Cb 0.20 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.33 3.49 0.00 0.00 -1.18 -4.73 105.19 107.45 1xnt n GLY 39 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.12 0.20 -0.09 1.61 4.71 -1.25 -4.67 120.64 117.03 1xnt n GLU 40 Ca -0.15 -0.36 -0.12 0.00 -0.01 0.00 0.00 57.16 56.52 1xnt n GLU 40 Cb 0.61 -2.05 -0.05 0.00 -1.01 0.00 0.00 31.44 28.94 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1xnt n LYS 41 N 6.70 0.51 -3.38 3.49 4.81 -1.26 -3.13 118.16 125.89 1xnt n LYS 41 Ca 0.56 0.44 -0.02 0.00 -0.87 0.00 0.00 58.31 58.42 1xnt n LYS 41 Cb 0.27 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.66 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 -2.45 -0.86 -0.11 3.15 -4.23 -1.26 -2.04 115.64 107.84 1xnt s THR 42 Ca -0.24 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 1xnt s THR 42 Cb 0.05 -0.91 -0.02 0.00 1.34 0.00 0.00 72.50 72.96 1xnt s THR 42 CO 0.38 -0.02 -0.14 0.27 -0.54 0.00 0.00 174.62 174.57 1xnt s ILE 43 N 2.76 2.97 0.06 2.99 -4.36 -0.08 -4.98 121.20 120.56 1xnt s ILE 43 Ca 0.10 -0.71 0.07 0.00 -0.26 0.00 0.00 60.65 59.85 1xnt s ILE 43 Cb -0.14 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1xnt s ILE 43 CO -0.18 0.54 -0.14 -0.44 0.24 0.00 0.00 174.94 174.96 1xnt s SER 44 N 0.11 4.08 -0.20 4.36 0.01 -0.87 0.08 113.70 121.28 1xnt s SER 44 Ca -0.07 -0.39 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 1xnt s SER 44 Cb -0.15 -0.73 0.10 0.00 0.21 0.00 0.00 66.02 65.45 1xnt s SER 44 CO 0.05 0.23 0.29 0.54 0.41 0.00 0.00 173.24 174.76 1xnt s VAL 45 N -1.03 -0.45 -0.28 3.43 0.11 0.16 0.60 120.40 122.95 1xnt s VAL 45 Ca 0.17 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1xnt s VAL 45 Cb -0.11 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1xnt s VAL 45 CO 0.08 -0.10 0.39 -0.69 -3.33 0.00 0.00 175.10 171.44 1xnt s VAL 46 N 2.43 5.16 0.26 2.04 1.01 0.14 -0.86 120.40 130.58 1xnt s VAL 46 Ca 0.07 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.63 1xnt s VAL 46 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1xnt s VAL 46 CO -0.13 0.11 0.39 -0.76 0.00 0.00 0.00 175.10 174.72 1xnt s LEU 47 N 2.10 4.25 -0.17 3.92 1.02 0.24 -1.20 118.68 128.83 1xnt s LEU 47 Ca 0.15 0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.38 1xnt s LEU 47 Cb -0.16 -2.91 -0.02 0.00 0.02 0.00 0.00 46.19 43.12 1xnt s LEU 47 CO 0.10 -0.13 -0.07 -1.58 0.02 0.00 0.00 176.35 174.70 1xnt s GLN 48 N -4.04 3.46 0.14 1.70 -0.44 0.11 -1.41 119.66 119.19 1xnt s GLN 48 Ca 0.36 -0.62 -0.30 0.00 -2.50 0.00 0.00 55.36 52.30 1xnt s GLN 48 Cb -0.09 -2.86 -0.07 0.00 -1.64 0.00 0.00 33.01 28.35 1xnt s GLN 48 CO 0.30 0.06 0.95 -0.51 0.50 0.00 0.00 175.29 176.59 1xnt s LEU 49 N 0.81 4.54 -0.05 3.68 1.43 0.71 0.94 118.68 130.73 1xnt s LEU 49 Ca -0.02 1.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1xnt s LEU 49 Cb -0.15 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 1xnt s LEU 49 CO 0.01 -0.00 2.21 -1.84 0.23 0.00 0.00 176.35 176.96 1xnt n GLU 50 N 2.45 1.24 0.00 1.70 0.28 0.03 -4.65 120.64 121.69 1xnt n GLU 50 Ca 0.01 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.65 1xnt n GLU 50 Cb 0.49 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.14 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 1.46 0.00 -2.37 3.44 2.85 -1.26 -4.99 118.16 117.29 1xnt n LYS 51 Ca 0.10 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.93 1xnt n LYS 51 Cb 0.56 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.92 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 0.00 3.42 0.37 -1.58 2.12 -1.26 -4.61 118.70 117.16 1xnt s GLU 52 Ca 0.00 0.69 0.07 0.00 0.36 0.00 0.00 54.97 56.08 1xnt s GLU 52 Cb 0.00 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 1xnt s GLU 52 CO 0.00 -1.77 0.24 -1.83 -0.54 0.00 0.00 175.26 171.36 1xnt s GLU 53 N 5.25 1.86 0.39 4.30 4.04 0.19 -4.67 118.70 130.06 1xnt s GLU 53 Ca 0.57 -2.11 0.02 0.00 0.04 0.00 0.00 54.97 53.48 1xnt s GLU 53 Cb -0.12 0.02 -0.01 0.00 0.02 0.00 0.00 34.13 34.03 1xnt s GLU 53 CO 0.29 -0.62 0.59 -0.65 -1.84 0.00 0.00 175.26 173.02 1xnt s GLN 54 N -3.49 3.22 -0.14 -4.83 -0.21 -1.26 0.44 119.66 113.39 1xnt s GLN 54 Ca 0.34 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 55.20 1xnt s GLN 54 Cb 0.02 -2.65 -0.00 0.00 1.00 0.00 0.00 33.01 31.38 1xnt s GLN 54 CO 0.24 -0.06 -0.17 0.42 -2.12 0.00 0.00 175.29 173.60 1xnt s ILE 55 N -2.40 2.51 -0.03 1.08 1.09 -0.35 -4.41 121.20 118.70 1xnt s ILE 55 Ca 0.44 -0.83 0.03 0.00 -1.10 0.00 0.00 60.65 59.19 1xnt s ILE 55 Cb -0.10 -2.04 -0.04 0.00 -1.06 0.00 0.00 42.46 39.23 1xnt s ILE 55 CO 0.36 0.53 0.01 1.57 -0.10 0.00 0.00 174.94 177.31 1xnt n HIS 56 N 3.94 0.00 -3.79 3.97 -0.00 -1.20 -4.54 115.22 113.60 1xnt n HIS 56 Ca -0.19 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.89 1xnt n HIS 56 Cb 0.52 -0.15 -0.07 0.00 -0.12 0.00 0.00 29.99 30.17 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 -3.40 -0.01 0.11 0.26 0.01 -0.17 -0.69 113.70 109.82 1xnt s SER 57 Ca -0.02 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.67 1xnt s SER 57 Cb 0.01 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1xnt s SER 57 CO 0.13 -0.72 0.24 -0.69 0.41 0.00 0.00 173.24 172.60 1xnt s VAL 58 N -3.53 0.12 -0.02 3.43 1.01 -0.51 -1.11 120.40 119.79 1xnt s VAL 58 Ca 0.02 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1xnt s VAL 58 Cb 0.03 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1xnt s VAL 58 CO -0.09 -0.53 -0.04 -1.81 0.00 0.00 0.00 175.10 172.63 1xnt s ASP 59 N -2.88 0.63 -0.19 3.32 1.11 0.32 -0.13 116.67 118.85 1xnt s ASP 59 Ca 0.08 -0.08 -0.11 0.00 0.18 0.00 0.00 52.55 52.61 1xnt s ASP 59 Cb 0.04 -0.21 0.06 0.00 1.07 0.00 0.00 42.92 43.88 1xnt s ASP 59 CO -0.08 -0.01 0.47 -0.63 1.18 0.00 0.00 175.17 176.09 1xnt s ILE 60 N 0.44 -0.02 -0.21 0.77 1.09 -0.37 0.11 121.20 123.01 1xnt s ILE 60 Ca -0.05 0.07 -0.08 0.00 -1.10 0.00 0.00 60.65 59.49 1xnt s ILE 60 Cb -0.08 -0.68 -0.04 0.00 -1.06 0.00 0.00 42.46 40.59 1xnt s ILE 60 CO -0.00 0.03 0.08 -0.83 -0.10 0.00 0.00 174.94 174.12 1xnt s GLY 61 N 1.37 1.87 -0.09 6.18 0.00 -0.59 -1.17 107.32 114.89 1xnt s GLY 61 Ca -0.09 -0.90 -0.26 0.00 0.00 0.00 0.00 44.72 43.47 1xnt s GLY 61 CO -0.13 0.27 0.84 0.54 0.00 0.00 0.00 173.10 174.62 1xnt s ASN 62 N 0.91 7.09 -0.70 1.64 2.20 -1.00 -1.53 114.94 123.55 1xnt s ASN 62 Ca 0.04 1.33 -0.03 0.00 -0.94 0.00 0.00 52.86 53.27 1xnt s ASN 62 Cb -0.14 -2.48 0.23 0.00 -2.00 0.00 0.00 41.25 36.86 1xnt s ASN 62 CO 0.03 -0.27 2.33 -0.67 -2.94 0.00 0.00 177.10 175.58 1xnt n ASP 63 N 4.37 7.11 0.00 3.54 -0.08 0.10 -2.91 116.55 128.69 1xnt n ASP 63 Ca 0.03 -3.57 0.00 0.00 -1.51 0.00 0.00 54.79 49.74 1xnt n ASP 63 Cb 0.50 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.82 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 0.08 2.58 3.55 0.27 0.00 -0.85 -4.07 105.19 106.75 1xnt n GLY 64 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xnt n SER 65 N 0.00 -0.79 0.01 1.61 2.88 -1.26 -4.71 113.62 111.36 1xnt n SER 65 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1xnt n SER 65 Cb 0.00 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt n ALA 66 N -4.13 3.00 -2.68 -1.46 0.00 -1.26 -4.40 120.51 109.57 1xnt n ALA 66 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1xnt n ALA 66 Cb 0.53 0.41 -0.08 0.00 0.00 0.00 0.00 19.45 20.32 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 3.38 -0.19 0.00 0.08 0.03 0.06 117.98 119.33 1xnt s PHE 67 Ca 0.00 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.55 1xnt s PHE 67 Cb 0.00 -2.41 0.05 0.00 -0.57 0.00 0.00 43.02 40.09 1xnt s PHE 67 CO 0.00 0.08 -0.02 0.08 -0.10 0.00 0.00 175.22 175.26 1xnt s VAL 68 N 1.01 1.01 0.03 -0.44 1.01 -0.18 0.39 120.40 123.22 1xnt s VAL 68 Ca 0.15 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1xnt s VAL 68 Cb -0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1xnt s VAL 68 CO 0.06 -0.06 0.04 -0.70 0.00 0.00 0.00 175.10 174.45 1xnt s GLU 69 N 1.65 2.87 -0.08 2.72 2.12 -0.32 0.33 118.70 128.00 1xnt s GLU 69 Ca -0.02 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.70 1xnt s GLU 69 Cb -0.17 -2.73 0.02 0.00 0.26 0.00 0.00 34.13 31.51 1xnt s GLU 69 CO -0.07 0.61 -0.07 0.08 -0.54 0.00 0.00 175.26 175.26 1xnt s VAL 70 N -1.22 0.87 0.22 3.70 1.01 -0.61 -1.33 120.40 123.04 1xnt s VAL 70 Ca 0.24 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1xnt s VAL 70 Cb -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1xnt s VAL 70 CO 0.15 0.32 0.00 -0.76 0.00 0.00 0.00 175.10 174.81 1xnt s LEU 71 N 1.25 3.26 0.19 3.92 1.02 -0.08 -1.70 118.68 126.55 1xnt s LEU 71 Ca -0.04 -0.50 0.11 0.00 0.02 0.00 0.00 54.13 53.71 1xnt s LEU 71 Cb -0.14 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 1xnt s LEU 71 CO -0.02 0.05 -0.22 0.68 0.02 0.00 0.00 176.35 176.85 1xnt s VAL 72 N -1.98 2.20 0.00 -1.59 -7.23 -0.15 -1.41 120.40 110.24 1xnt s VAL 72 Ca 0.29 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1xnt s VAL 72 Cb -0.08 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.81 1xnt s VAL 72 CO 0.19 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1xnt n GLY 73 N 0.21 0.21 3.74 2.32 0.00 -0.87 0.15 105.19 110.96 1xnt n GLY 73 Ca -0.12 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 4.97 0.00 1.61 0.15 -1.26 -0.80 113.70 118.38 1xnt s SER 74 Ca 0.00 -0.53 0.14 0.00 0.70 0.00 0.00 55.95 56.27 1xnt s SER 74 Cb 0.00 -1.01 0.59 0.00 -1.71 0.00 0.00 66.02 63.88 1xnt s SER 74 CO 0.00 -0.12 1.42 -1.54 1.20 0.00 0.00 173.24 174.20 1xnt n SER 75 N -1.10 1.13 -4.62 5.45 3.41 -1.26 -4.81 113.62 111.81 1xnt n SER 75 Ca -0.06 -1.77 -0.43 0.00 -0.26 0.00 0.00 58.87 56.35 1xnt n SER 75 Cb 0.59 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.02 1.66 0.00 7.33 0.00 -1.26 -3.15 120.51 125.11 1xnt n ALA 76 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xnt n ALA 76 Cb 0.22 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 5.23 1.89 1.90 0.00 0.00 -1.26 -4.83 105.19 108.11 1xnt n GLY 77 Ca 0.26 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.74 1.38 -0.02 0.00 -1.19 -5.02 105.19 99.60 1xnt n GLY 78 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt n ALA 79 N -0.75 -1.19 -3.36 4.61 0.00 -1.26 -5.13 120.51 113.44 1xnt n ALA 79 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1xnt n ALA 79 Cb 0.28 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 1xnt n ALA 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xnt s GLY 80 N -0.15 -0.54 0.05 0.00 0.00 -1.26 -5.03 107.32 100.38 1xnt s GLY 80 Ca 0.01 2.54 0.13 0.00 0.00 0.00 0.00 44.72 47.40 1xnt s GLY 80 CO -0.01 3.33 0.88 0.83 0.00 0.00 0.00 173.10 178.14 1xnt h GLU 81 N 7.83 0.00 -0.95 2.90 4.39 -2.03 -3.32 114.58 123.41 1xnt h GLU 81 Ca -0.18 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.14 1xnt h GLU 81 Cb 1.13 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.55 1xnt h GLU 81 CO 0.10 0.50 0.49 0.00 -1.16 0.00 0.00 179.01 178.94 1xnt n GLN 82 N -3.05 2.44 -1.24 2.33 10.64 -1.26 -4.33 117.38 122.91 1xnt n GLN 82 Ca -0.10 -2.65 -0.16 0.00 -1.83 0.00 0.00 57.00 52.26 1xnt n GLN 82 Cb 0.93 -2.05 0.13 0.00 -0.86 0.00 0.00 30.24 28.39 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1xnt n ASP 83 N -0.72 4.08 -3.33 2.61 2.03 -1.25 -5.00 116.55 114.97 1xnt n ASP 83 Ca 0.48 -3.78 -0.12 0.00 0.52 0.00 0.00 54.79 51.90 1xnt n ASP 83 Cb 1.47 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 41.24 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 -0.99 -1.38 -4.88 -0.67 4.02 -1.26 -4.86 117.16 107.14 1xnt n TYR 84 Ca 0.43 -1.07 -0.31 0.00 -0.01 0.00 0.00 57.90 56.94 1xnt n TYR 84 Cb 0.98 -0.22 -0.17 0.00 -0.02 0.00 0.00 39.34 39.92 1xnt n TYR 84 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1xnt s GLU 85 N -3.09 2.77 -0.86 -0.72 0.41 0.12 -4.90 118.70 112.43 1xnt s GLU 85 Ca 0.17 -0.77 -0.26 0.00 -0.41 0.00 0.00 54.97 53.70 1xnt s GLU 85 Cb -0.01 -2.18 -0.15 0.00 -1.78 0.00 0.00 34.13 30.01 1xnt s GLU 85 CO 0.11 0.07 2.31 0.08 -0.49 0.00 0.00 175.26 177.34 1xnt s VAL 86 N 0.61 3.06 0.06 2.63 1.01 -1.26 -0.97 120.40 125.53 1xnt s VAL 86 Ca -0.13 -0.06 -0.35 0.00 0.00 0.00 0.00 61.98 61.44 1xnt s VAL 86 Cb -0.17 -3.31 -0.19 0.00 0.00 0.00 0.00 36.38 32.71 1xnt s VAL 86 CO 0.04 -0.11 1.53 0.25 0.00 0.00 0.00 175.10 176.80 1xnt h LEU 87 N 22.12 -1.09 -7.46 3.92 5.85 -1.78 -3.41 115.31 133.46 1xnt h LEU 87 Ca 0.01 0.04 -0.43 0.00 0.84 0.00 0.00 57.88 58.34 1xnt h LEU 87 Cb 1.00 0.29 -0.38 0.00 0.37 0.00 0.00 40.66 41.94 1xnt h LEU 87 CO 1.03 -0.76 -0.76 -1.48 -0.34 0.00 0.00 178.44 176.12 1xnt s LEU 88 N -9.56 0.56 1.09 2.25 0.05 -0.69 -1.19 118.68 111.20 1xnt s LEU 88 Ca -0.18 -0.09 -0.17 0.00 0.05 0.00 0.00 54.13 53.74 1xnt s LEU 88 Cb 0.02 -0.42 0.15 0.00 -2.05 0.00 0.00 46.19 43.89 1xnt s LEU 88 CO 0.56 -0.20 0.18 1.33 -0.55 0.00 0.00 176.35 177.67 1xnt n VAL 89 N 5.16 0.00 -1.94 1.48 0.24 -1.26 -1.58 118.33 120.42 1xnt n VAL 89 Ca -0.07 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 1xnt n VAL 89 Cb 0.50 -0.57 -0.02 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 -2.14 2.53 -0.25 3.34 -1.32 -1.26 -4.35 115.64 112.20 1xnt s THR 90 Ca 0.47 0.43 -0.09 0.00 -1.21 0.00 0.00 61.69 61.29 1xnt s THR 90 Cb -0.08 -3.27 -0.04 0.00 -1.51 0.00 0.00 72.50 67.59 1xnt s THR 90 CO 0.50 0.06 0.12 -0.94 -2.21 0.00 0.00 174.62 172.15 1xnt s SER 91 N 0.61 5.64 -0.49 8.08 1.04 0.15 -4.66 113.70 124.07 1xnt s SER 91 Ca 0.63 -0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.77 1xnt s SER 91 Cb -0.44 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 63.70 1xnt s SER 91 CO 0.41 0.01 0.87 -0.94 0.98 0.00 0.00 173.24 174.57 1xnt s SER 92 N 1.39 6.40 -0.22 7.02 1.04 -1.24 -1.01 113.70 127.08 1xnt s SER 92 Ca 0.06 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.15 1xnt s SER 92 Cb -0.15 -2.42 -0.14 0.00 0.10 0.00 0.00 66.02 63.41 1xnt s SER 92 CO 0.06 -1.06 -0.04 0.49 0.98 0.00 0.00 173.24 173.66 1xnt n PHE 93 N 7.09 0.65 -3.79 5.02 3.72 0.11 -4.97 117.46 125.28 1xnt n PHE 93 Ca 0.03 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 1xnt n PHE 93 Cb 0.48 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1xnt n PHE 93 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1xnt n MET 94 N -4.41 2.16 -3.81 -1.08 2.81 -1.26 -5.07 117.12 106.46 1xnt n MET 94 Ca -0.34 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.30 1xnt n MET 94 Cb 0.68 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.17 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 -0.58 4.71 -0.00 7.83 1.04 -1.26 -4.74 113.70 120.69 1xnt s SER 95 Ca 0.00 -1.10 0.06 0.00 0.48 0.00 0.00 55.95 55.39 1xnt s SER 95 Cb 0.00 0.09 0.18 0.00 0.10 0.00 0.00 66.02 66.39 1xnt s SER 95 CO 0.00 -0.95 1.13 -0.81 0.98 0.00 0.00 173.24 173.59 1xnt n PRO 96 N -1.67 1.51 0.00 4.02 -0.04 -1.26 -3.77 135.00 133.79 1xnt n PRO 96 Ca 0.00 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1xnt n PRO 96 Cb 0.64 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.10 4.12 -0.21 3.54 7.64 -1.26 -4.58 113.62 122.98 1xnt n SER 97 Ca 0.07 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.10 1xnt n SER 97 Cb 0.19 0.21 0.74 0.00 -1.01 0.00 0.00 64.21 64.34 1xnt n SER 97 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1xnt n GLU 98 N -2.19 1.26 0.11 1.43 0.28 -1.26 -3.70 120.64 116.57 1xnt n GLU 98 Ca 0.00 -0.43 -0.03 0.00 -0.16 0.00 0.00 57.16 56.54 1xnt n GLU 98 Cb 0.46 -1.49 0.09 0.00 1.43 0.00 0.00 31.44 31.93 1xnt n GLU 98 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1xnt h SER 99 N 1.04 0.05 0.00 -1.84 0.02 -1.76 -3.06 113.55 108.00 1xnt h SER 99 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1xnt h SER 99 Cb 0.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1xnt h SER 99 CO 0.00 0.75 0.00 0.54 -1.14 0.00 0.00 176.83 176.98 1xnt n ARG 100 N -3.71 0.00 -2.38 3.45 5.12 -1.24 -4.41 116.66 113.49 1xnt n ARG 100 Ca -0.01 0.10 -0.02 0.00 -1.93 0.00 0.00 57.85 55.98 1xnt n ARG 100 Cb 0.70 -0.89 0.10 0.00 -1.16 0.00 0.00 32.46 31.20 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1xnt n SER 101 N -0.80 -1.28 -0.03 0.55 2.88 -1.26 -4.75 113.62 108.93 1xnt n SER 101 Ca 0.00 -2.07 0.01 0.00 -1.33 0.00 0.00 58.87 55.48 1xnt n SER 101 Cb 0.00 0.58 -0.11 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.25 -0.64 3.19 0.46 0.00 -1.25 -5.01 105.19 100.69 1xnt n GLY 102 Ca -0.17 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.07 -0.03 -0.88 1.61 0.01 -1.16 -4.95 113.70 104.23 1xnt s SER 103 Ca -0.06 0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 1xnt s SER 103 Cb 0.07 1.03 0.01 0.00 0.21 0.00 0.00 66.02 67.33 1xnt s SER 103 CO 0.56 -0.01 0.61 -0.46 0.41 0.00 0.00 173.24 174.35 1xnt n ASN 104 N 4.43 -4.72 0.09 2.44 6.94 -1.26 -4.37 115.26 118.81 1xnt n ASN 104 Ca -0.07 -1.03 -0.05 0.00 -0.02 0.00 0.00 54.58 53.41 1xnt n ASN 104 Cb 0.56 -1.63 -0.00 0.00 -2.36 0.00 0.00 39.78 36.35 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 -0.62 0.03 -3.78 -0.53 0.13 -1.76 -3.41 132.00 122.06 1xnt h PRO 105 Ca -0.65 -0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 63.84 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 0.39 0.86 -0.75 -0.80 -0.23 0.00 0.00 178.00 177.48 1xnt s ASN 106 N -6.79 4.18 0.00 1.44 0.02 -1.26 -2.01 114.94 110.52 1xnt s ASN 106 Ca -0.00 -1.84 0.00 0.00 -1.02 0.00 0.00 52.86 50.00 1xnt s ASN 106 Cb 0.11 -1.06 0.00 0.00 0.02 0.00 0.00 41.25 40.32 1xnt s ASN 106 CO 0.80 -0.40 0.00 -1.14 0.02 0.00 0.00 177.10 176.39 1xnt n ARG 107 N 4.61 1.87 -3.78 -0.60 0.63 -1.14 -5.00 116.66 113.24 1xnt n ARG 107 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1xnt n ARG 107 Cb 0.41 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.24 1xnt n ARG 107 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1xnt s VAL 108 N -0.48 0.07 0.16 5.15 0.11 -1.26 -2.37 120.40 121.78 1xnt s VAL 108 Ca 0.00 -0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 1xnt s VAL 108 Cb 0.00 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1xnt s VAL 108 CO 0.00 -0.33 0.20 -0.13 -3.33 0.00 0.00 175.10 171.51 1xnt s ARG 109 N -1.79 1.11 0.27 1.54 1.81 -0.32 -4.88 118.95 116.70 1xnt s ARG 109 Ca -0.11 -1.32 0.04 0.00 -1.72 0.00 0.00 55.73 52.62 1xnt s ARG 109 Cb -0.04 0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 34.75 1xnt s ARG 109 CO 0.01 -0.38 0.21 -1.64 -0.68 0.00 0.00 175.30 172.82 1xnt s MET 110 N -4.02 1.51 0.25 3.54 -1.94 -1.26 -1.24 119.30 116.14 1xnt s MET 110 Ca 0.22 -1.85 0.01 0.00 -1.71 0.00 0.00 55.69 52.37 1xnt s MET 110 Cb 0.05 0.27 -0.05 0.00 2.01 0.00 0.00 34.83 37.11 1xnt s MET 110 CO 0.03 -0.53 0.08 -0.06 -0.01 0.00 0.00 175.02 174.53 1xnt s PHE 111 N -3.76 1.49 0.00 -0.03 0.40 0.81 -4.95 117.98 111.94 1xnt s PHE 111 Ca 0.40 -1.15 0.00 0.00 -0.60 0.00 0.00 56.93 55.58 1xnt s PHE 111 Cb 0.04 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.70 1xnt s PHE 111 CO 0.20 -0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.23 1xnt n GLY 112 N -0.43 5.26 0.16 4.36 0.00 -1.26 -1.42 105.19 111.86 1xnt n GLY 112 Ca -0.01 -1.14 -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 0.49 0.00 1.61 0.13 -1.26 -3.20 132.00 129.78 1xnt h PRO 113 Ca 0.00 -0.56 -0.05 0.00 -0.87 0.00 0.00 66.00 64.51 1xnt h PRO 113 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xnt h PRO 113 CO 0.00 1.20 -0.26 -0.44 -0.23 0.00 0.00 178.00 178.27 1xnt h ASP 114 N 0.26 0.00 -0.06 1.44 5.19 -1.97 -1.63 116.42 119.65 1xnt h ASP 114 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1xnt h ASP 114 Cb 1.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.19 1xnt h ASP 114 CO 0.18 0.26 0.00 0.29 -3.12 0.00 0.00 179.24 176.85 1xnt n LYS 115 N -4.03 1.56 -5.02 3.56 5.02 -1.21 -4.84 118.16 113.21 1xnt n LYS 115 Ca -0.02 -0.83 -0.27 0.00 -2.02 0.00 0.00 58.31 55.17 1xnt n LYS 115 Cb 0.33 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.74 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1xnt s LEU 116 N -1.84 2.04 0.21 -0.35 0.05 -0.61 -3.99 118.68 114.19 1xnt s LEU 116 Ca 0.37 -0.38 -0.32 0.00 0.05 0.00 0.00 54.13 53.85 1xnt s LEU 116 Cb 0.19 -1.07 -0.12 0.00 -2.05 0.00 0.00 46.19 43.14 1xnt s LEU 116 CO 0.31 0.25 1.69 0.55 -0.55 0.00 0.00 176.35 178.60 1xnt n VAL 117 N 2.59 0.07 0.10 1.48 3.14 -0.33 -4.83 118.33 120.55 1xnt n VAL 117 Ca -0.15 -0.02 -0.06 0.00 -2.96 0.00 0.00 64.34 61.15 1xnt n VAL 117 Cb 0.53 -1.91 0.05 0.00 -1.06 0.00 0.00 33.84 31.45 1xnt n VAL 117 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1xnt h ARG 118 N 6.49 0.13 0.00 1.45 3.08 -1.93 0.87 114.38 124.47 1xnt h ARG 118 Ca -0.44 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.49 1xnt h ARG 118 Cb 1.21 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1xnt h ARG 118 CO 0.93 0.83 -0.03 0.00 -1.07 0.00 0.00 179.97 180.64 1xnt h ALA 119 N 1.13 1.05 0.00 0.04 0.00 -2.00 -3.15 119.26 116.33 1xnt h ALA 119 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1xnt h ALA 119 Cb 1.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1xnt h ALA 119 CO 0.11 0.03 -1.24 0.00 0.00 0.00 0.00 179.25 178.16 1xnt n ALA 120 N -2.12 2.44 -0.34 0.00 0.00 -1.12 -4.61 120.51 114.76 1xnt n ALA 120 Ca -0.01 -0.17 0.20 0.00 0.00 0.00 0.00 53.44 53.46 1xnt n ALA 120 Cb 0.22 0.43 0.44 0.00 0.00 0.00 0.00 19.45 20.54 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 -0.10 1.98 0.00 0.00 0.00 0.66 0.88 119.26 122.68 1xnt h ALA 121 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xnt h ALA 121 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xnt h ALA 121 CO -0.05 -0.43 0.00 -0.85 0.00 0.00 0.00 179.25 177.93 1xnt n GLU 122 N -4.78 0.95 -3.40 0.00 -0.00 -1.19 -1.21 120.64 111.02 1xnt n GLU 122 Ca 0.26 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 57.04 1xnt n GLU 122 Cb 0.80 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.68 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 -2.04 4.15 -0.29 3.44 1.02 0.31 -4.84 119.74 121.49 1xnt s LYS 123 Ca 0.46 0.44 -0.29 0.00 0.02 0.00 0.00 55.97 56.61 1xnt s LYS 123 Cb 0.22 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 1xnt s LYS 123 CO 0.37 0.43 1.75 1.03 -0.92 0.00 0.00 175.35 178.02 1xnt s ARG 124 N -0.27 3.48 0.30 1.68 0.52 -1.26 -4.33 118.95 119.08 1xnt s ARG 124 Ca 0.25 1.53 0.09 0.00 -0.52 0.00 0.00 55.73 57.07 1xnt s ARG 124 Cb -0.16 -4.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.11 1xnt s ARG 124 CO 0.12 -1.68 0.03 -1.58 0.02 0.00 0.00 175.30 172.21 1xnt s TRP 125 N 6.37 2.65 0.00 -0.53 0.52 0.17 -4.64 118.94 123.48 1xnt s TRP 125 Ca 0.78 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 56.59 1xnt s TRP 125 Cb -0.24 -1.37 0.00 0.00 -1.15 0.00 0.00 33.47 30.72 1xnt s TRP 125 CO 0.33 0.52 0.57 -0.40 0.02 0.00 0.00 176.95 177.98 1xnt n ASP 126 N -0.97 0.44 -3.89 2.95 5.68 -0.50 -0.63 116.55 119.63 1xnt n ASP 126 Ca -0.05 -1.21 -0.11 0.00 -0.50 0.00 0.00 54.79 52.92 1xnt n ASP 126 Cb 0.60 0.00 -0.13 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 -0.21 0.11 0.01 0.11 0.52 0.02 -0.21 118.95 119.30 1xnt s ARG 127 Ca 0.00 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1xnt s ARG 127 Cb 0.00 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 1xnt s ARG 127 CO 0.00 -0.02 -0.09 0.54 0.02 0.00 0.00 175.30 175.76 1xnt s VAL 128 N -0.33 0.66 -0.33 3.52 0.11 -0.50 -2.05 120.40 121.48 1xnt s VAL 128 Ca -0.04 -0.55 -0.09 0.00 -2.93 0.00 0.00 61.98 58.38 1xnt s VAL 128 Cb -0.02 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1xnt s VAL 128 CO -0.00 0.05 0.14 -0.75 -3.33 0.00 0.00 175.10 171.21 1xnt s LYS 129 N -0.56 2.96 -0.29 1.54 2.20 -0.50 -0.59 119.74 124.50 1xnt s LYS 129 Ca 0.01 -0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 54.56 1xnt s LYS 129 Cb -0.05 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1xnt s LYS 129 CO 0.00 -0.57 0.13 0.42 -0.36 0.00 0.00 175.35 174.97 1xnt s ILE 130 N 1.52 4.52 -0.17 5.43 -1.09 -0.04 -0.90 121.20 130.47 1xnt s ILE 130 Ca 0.02 -0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 1xnt s ILE 130 Cb -0.18 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 1xnt s ILE 130 CO 0.05 0.16 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.03 1xnt s VAL 131 N 1.62 2.05 -0.09 2.92 1.01 -0.44 0.39 120.40 127.86 1xnt s VAL 131 Ca 0.05 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 1xnt s VAL 131 Cb -0.16 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1xnt s VAL 131 CO 0.06 0.54 0.32 0.00 0.00 0.00 0.00 175.10 176.01 1xnt s SER 133 N -0.44 0.85 0.00 0.00 0.15 0.16 -0.90 113.70 113.53 1xnt s SER 133 Ca 0.20 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1xnt s SER 133 Cb -0.14 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1xnt s SER 133 CO 0.08 -0.20 0.00 1.67 1.20 0.00 0.00 173.24 175.99 1xnt n GLN 134 N 4.89 0.00 -2.71 5.44 -0.06 -0.87 -0.79 117.38 123.28 1xnt n GLN 134 Ca -0.12 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.46 1xnt n GLN 134 Cb 0.50 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.65 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 0.00 3.57 -0.00 3.69 0.04 -1.22 -4.22 135.00 136.86 1xnt s PRO 135 Ca 0.00 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 59.70 1xnt s PRO 135 Cb 0.00 -5.12 -0.00 0.00 0.04 0.00 0.00 34.50 29.41 1xnt s PRO 135 CO 0.00 -2.02 0.01 2.48 0.04 0.00 0.00 177.00 177.50 1xnt n TYR 136 N 7.94 0.00 -4.69 0.56 0.18 -1.19 -4.78 117.16 115.19 1xnt n TYR 136 Ca 0.28 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.75 1xnt n TYR 136 Cb 0.50 -0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.38 1xnt n TYR 136 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1xnt s SER 137 N -1.26 3.82 0.00 9.48 0.01 -1.26 -4.74 113.70 119.74 1xnt s SER 137 Ca 0.00 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.66 1xnt s SER 137 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1xnt s SER 137 CO 0.01 -0.79 0.00 2.29 0.41 0.00 0.00 173.24 175.16 1xnt n LYS 138 N -1.14 0.00 -0.03 12.44 2.85 -1.26 -3.81 118.16 127.21 1xnt n LYS 138 Ca -0.14 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.09 1xnt n LYS 138 Cb 0.67 -0.12 -0.04 0.00 -0.65 0.00 0.00 35.03 34.88 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1xnt n ASP 139 N -1.78 3.66 -4.78 -5.58 5.68 -1.26 -3.07 116.55 109.42 1xnt n ASP 139 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.96 1xnt n ASP 139 Cb 0.00 0.64 -0.07 0.00 -1.14 0.00 0.00 41.12 40.55 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 -3.66 5.67 0.74 -1.12 1.04 -1.26 -4.61 113.70 110.51 1xnt s SER 140 Ca -0.03 0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 1xnt s SER 140 Cb 0.02 -1.62 0.10 0.00 0.10 0.00 0.00 66.02 64.62 1xnt s SER 140 CO 0.22 0.26 0.66 -0.81 0.98 0.00 0.00 173.24 174.56 1xnt n PRO 141 N 1.10 -0.17 -3.49 4.02 -0.04 -1.26 -3.89 135.00 131.27 1xnt n PRO 141 Ca -0.12 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1xnt n PRO 141 Cb 0.53 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 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 -2.56 0.00 0.00 0.54 3.72 -1.26 -4.91 117.46 112.98 1xnt n PHE 142 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1xnt n PHE 142 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.55 3.59 1.37 0.00 -1.24 -0.08 105.19 108.28 1xnt n GLY 143 Ca 0.00 0.31 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 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 3.01 -0.06 0.99 1.02 -1.20 -0.72 118.68 121.72 1xnt s LEU 144 Ca 0.00 -0.71 0.19 0.00 0.02 0.00 0.00 54.13 53.63 1xnt s LEU 144 Cb 0.00 -1.57 -0.23 0.00 0.02 0.00 0.00 46.19 44.41 1xnt s LEU 144 CO 0.00 0.04 0.47 -1.20 0.02 0.00 0.00 176.35 175.68 1xnt n SER 145 N -0.58 0.34 -3.60 2.29 7.64 -0.58 -1.38 113.62 117.74 1xnt n SER 145 Ca -0.07 0.15 -0.00 0.00 1.01 0.00 0.00 58.87 59.95 1xnt n SER 145 Cb 0.58 0.93 -0.01 0.00 -1.01 0.00 0.00 64.21 64.70 1xnt n SER 145 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1xnt s PHE 146 N -2.92 -0.05 0.06 1.43 -0.12 -1.25 -4.66 117.98 110.46 1xnt s PHE 146 Ca -0.07 -0.00 -0.00 0.00 -0.05 0.00 0.00 56.93 56.81 1xnt s PHE 146 Cb 0.09 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 1xnt s PHE 146 CO 0.84 -0.16 -0.04 0.14 -0.05 0.00 0.00 175.22 175.95 1xnt s VAL 147 N -2.28 0.33 -0.29 -2.49 -7.23 -1.26 -1.55 120.40 105.63 1xnt s VAL 147 Ca 0.13 -1.76 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 1xnt s VAL 147 Cb 0.03 -1.44 0.20 0.00 0.56 0.00 0.00 36.38 35.72 1xnt s VAL 147 CO -0.04 -0.92 0.61 -0.13 -0.31 0.00 0.00 175.10 174.30 1xnt s ARG 148 N -3.66 0.55 0.26 4.82 3.00 0.30 -4.82 118.95 119.40 1xnt s ARG 148 Ca 0.06 0.59 -0.12 0.00 0.00 0.00 0.00 55.73 56.27 1xnt s ARG 148 Cb 0.06 0.28 -0.08 0.00 0.00 0.00 0.00 34.95 35.21 1xnt s ARG 148 CO -0.08 -0.97 0.62 -0.06 0.00 0.00 0.00 175.30 174.81 1xnt s PHE 149 N 2.84 3.41 -0.21 -0.53 0.08 -1.26 0.12 117.98 122.42 1xnt s PHE 149 Ca 0.12 1.00 -0.07 0.00 0.12 0.00 0.00 56.93 58.10 1xnt s PHE 149 Cb -0.10 -2.36 0.10 0.00 -0.57 0.00 0.00 43.02 40.08 1xnt s PHE 149 CO -0.25 0.21 0.45 -3.38 -0.10 0.00 0.00 175.22 172.14 1xnt s HIS 150 N -1.87 -0.87 -2.00 0.36 -3.43 -0.27 -2.64 115.29 104.57 1xnt s HIS 150 Ca 0.50 1.63 0.25 0.00 -0.80 0.00 0.00 55.06 56.64 1xnt s HIS 150 Cb -0.11 0.37 1.52 0.00 -1.43 0.00 0.00 32.58 32.93 1xnt s HIS 150 CO 0.20 -0.51 1.87 -1.13 -2.00 0.00 0.00 174.74 173.18