#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 2.89 -3.56 0.03 -0.04 -1.26 -4.53 135.00 128.54 1xnt n PRO 2 Ca 0.00 -1.57 -0.11 0.00 -0.04 0.00 0.00 63.50 61.78 1xnt n PRO 2 Cb 0.00 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 1xnt n PRO 2 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1xnt s GLU 3 N -1.87 1.14 -0.02 0.54 2.56 -1.26 -4.25 118.70 115.53 1xnt s GLU 3 Ca 0.27 -0.63 0.00 0.00 0.00 0.00 0.00 54.97 54.62 1xnt s GLU 3 Cb 0.21 0.51 0.03 0.00 2.00 0.00 0.00 34.13 36.88 1xnt s GLU 3 CO 0.08 -0.46 0.02 0.42 -0.56 0.00 0.00 175.26 174.75 1xnt s ILE 4 N -3.78 0.03 0.37 -3.70 1.01 -0.92 -4.30 121.20 109.91 1xnt s ILE 4 Ca 0.02 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.92 1xnt s ILE 4 Cb 0.01 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 1xnt s ILE 4 CO -0.12 0.11 0.11 -0.60 0.00 0.00 0.00 174.94 174.43 1xnt s ARG 5 N 1.03 2.19 0.28 2.79 6.06 -1.26 -3.76 118.95 126.29 1xnt s ARG 5 Ca -0.09 -1.76 0.04 0.00 -2.50 0.00 0.00 55.73 51.41 1xnt s ARG 5 Cb -0.13 -1.99 -0.03 0.00 0.06 0.00 0.00 34.95 32.87 1xnt s ARG 5 CO -0.02 0.02 0.43 -0.51 -2.50 0.00 0.00 175.30 172.71 1xnt s LEU 6 N -3.82 4.19 -0.04 -0.88 1.02 -1.26 -2.76 118.68 115.12 1xnt s LEU 6 Ca 0.38 0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.65 1xnt s LEU 6 Cb 0.02 -2.96 -0.02 0.00 0.02 0.00 0.00 46.19 43.25 1xnt s LEU 6 CO 0.21 -0.19 -0.05 -1.14 0.02 0.00 0.00 176.35 175.21 1xnt n ARG 7 N -1.55 0.10 -1.58 1.70 3.00 -1.05 -4.56 116.66 112.73 1xnt n ARG 7 Ca -0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 57.85 57.80 1xnt n ARG 7 Cb 0.57 -0.83 0.01 0.00 0.00 0.00 0.00 32.46 32.21 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 -2.97 -1.19 -3.53 -0.14 1.44 -1.26 -5.01 115.22 102.57 1xnt n HIS 8 Ca -0.08 -0.34 -0.41 0.00 -2.01 0.00 0.00 57.72 54.87 1xnt n HIS 8 Cb 0.57 0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.79 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 -2.78 4.62 0.07 0.61 0.11 -1.26 -0.75 120.40 121.02 1xnt s VAL 9 Ca 0.03 -2.71 -0.25 0.00 -2.93 0.00 0.00 61.98 56.12 1xnt s VAL 9 Cb -0.01 -3.92 -0.11 0.00 -1.53 0.00 0.00 36.38 30.81 1xnt s VAL 9 CO 0.02 -0.95 1.39 1.62 -3.33 0.00 0.00 175.10 173.86 1xnt h VAL 10 N 5.06 0.00 -3.01 2.04 3.04 -1.64 -3.43 116.25 118.30 1xnt h VAL 10 Ca 0.04 0.00 -0.64 0.00 -1.01 0.00 0.00 66.70 65.08 1xnt h VAL 10 Cb 1.00 0.00 -0.17 0.00 -2.01 0.00 0.00 31.29 30.11 1xnt h VAL 10 CO 0.74 0.00 -0.79 -0.44 -1.01 0.00 0.00 177.57 176.07 1xnt s SER 11 N -3.92 3.67 -0.29 3.17 0.01 -0.29 -5.00 113.70 111.04 1xnt s SER 11 Ca -0.12 -0.82 -0.14 0.00 1.31 0.00 0.00 55.95 56.18 1xnt s SER 11 Cb 0.04 -0.38 0.11 0.00 0.21 0.00 0.00 66.02 65.99 1xnt s SER 11 CO 0.43 0.10 0.72 0.00 0.41 0.00 0.00 173.24 174.91 1xnt n SER 13 N 4.63 0.72 0.00 0.00 2.88 0.16 -4.86 113.62 117.15 1xnt n SER 13 Ca -0.17 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1xnt n SER 13 Cb 0.56 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 1.14 0.00 -4.29 -3.46 3.41 -1.20 -2.09 113.62 107.13 1xnt n SER 14 Ca 0.23 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.56 1xnt n SER 14 Cb 0.54 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 1xnt n SER 14 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xnt s GLN 15 N 0.00 1.63 0.00 4.33 -1.52 -1.26 -3.67 119.66 119.16 1xnt s GLN 15 Ca 0.00 -1.00 0.00 0.00 -1.95 0.00 0.00 55.36 52.41 1xnt s GLN 15 Cb 0.00 -1.75 0.00 0.00 -0.22 0.00 0.00 33.01 31.04 1xnt s GLN 15 CO 0.00 0.45 0.00 -3.47 -0.25 0.00 0.00 175.29 172.02 1xnt n ASP 16 N 1.91 0.00 -0.01 5.90 -0.08 -0.95 -3.37 116.55 119.95 1xnt n ASP 16 Ca -0.17 -0.84 -0.01 0.00 -1.51 0.00 0.00 54.79 52.27 1xnt n ASP 16 Cb 0.53 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 -2.51 0.24 0.10 1.67 2.88 -1.26 -3.93 113.62 110.81 1xnt n SER 17 Ca 0.00 0.16 -0.13 0.00 -1.33 0.00 0.00 58.87 57.57 1xnt n SER 17 Cb 0.00 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 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 -0.13 0.91 -2.97 2.46 1.35 -1.99 -3.25 112.91 109.30 1xnt h THR 18 Ca 0.00 -0.29 -0.80 0.00 -0.55 0.00 0.00 66.41 64.77 1xnt h THR 18 Cb 0.10 1.09 -0.29 0.00 -1.73 0.00 0.00 68.15 67.32 1xnt h THR 18 CO 0.00 0.07 0.68 1.41 -0.25 0.00 0.00 175.52 177.43 1xnt n HIS 19 N -5.12 2.69 -2.46 4.73 8.25 -1.26 -4.96 115.22 117.09 1xnt n HIS 19 Ca -0.09 -2.82 -0.23 0.00 -0.26 0.00 0.00 57.72 54.32 1xnt n HIS 19 Cb 0.16 -1.28 0.05 0.00 1.12 0.00 0.00 29.99 30.04 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 -0.20 1.41 0.00 0.00 0.00 -1.86 -1.45 119.26 117.16 1xnt h ALA 21 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnt h ALA 21 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 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 -1.94 0.62 114.58 118.06 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 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 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 0.41 1.04 2.35 -1.56 -1.03 115.58 116.80 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 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1xnt h ASN 23 CO 0.00 0.00 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.54 1xnt h LEU 24 N 0.00 0.00 -2.85 1.61 3.38 -1.07 -1.16 115.31 115.22 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 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xnt h LEU 24 CO 0.00 0.17 0.02 -0.07 0.09 0.00 0.00 178.44 178.65 1xnt h LEU 25 N 0.00 0.00 -6.32 1.67 -0.00 -1.35 -3.08 115.31 106.23 1xnt h LEU 25 Ca -0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 57.29 1xnt h LEU 25 Cb 0.42 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.67 1xnt h LEU 25 CO 0.02 0.00 -0.78 0.29 -0.00 0.00 0.00 178.44 177.97 1xnt n LYS 26 N -3.19 1.59 -0.20 1.13 4.01 -0.44 -4.89 118.16 116.18 1xnt n LYS 26 Ca -0.03 -4.04 0.01 0.00 -0.51 0.00 0.00 58.31 53.74 1xnt n LYS 26 Cb 0.10 -1.89 0.10 0.00 -0.51 0.00 0.00 35.03 32.83 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 4.52 0.64 -1.10 7.82 0.00 -1.66 -3.07 119.26 126.41 1xnt h ALA 27 Ca 0.16 0.17 -0.73 0.00 0.00 0.00 0.00 54.91 54.51 1xnt h ALA 27 Cb 0.77 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1xnt h ALA 27 CO 0.65 -0.37 1.93 -0.40 0.00 0.00 0.00 179.25 181.06 1xnt n ASP 28 N -5.23 4.97 -1.15 0.00 5.75 -1.26 -4.30 116.55 115.32 1xnt n ASP 28 Ca 0.09 -2.99 -0.06 0.00 -0.01 0.00 0.00 54.79 51.82 1xnt n ASP 28 Cb 0.34 -1.59 -0.04 0.00 -1.03 0.00 0.00 41.12 38.80 1xnt n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1xnt n THR 29 N 4.63 0.00 -1.91 2.12 -1.04 -1.16 -4.98 114.28 111.94 1xnt n THR 29 Ca 0.42 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.05 62.24 1xnt n THR 29 Cb 0.41 0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 69.42 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xnt n TYR 30 N -0.17 -1.20 -5.26 -1.42 0.18 -1.26 -4.91 117.16 103.12 1xnt n TYR 30 Ca -0.25 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.22 1xnt n TYR 30 Cb 0.69 -1.99 -0.16 0.00 -0.38 0.00 0.00 39.34 37.49 1xnt n TYR 30 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1xnt s ARG 31 N -3.96 2.58 0.40 -3.48 1.81 -1.26 -5.13 118.95 109.90 1xnt s ARG 31 Ca 0.00 -0.90 0.02 0.00 -1.72 0.00 0.00 55.73 53.13 1xnt s ARG 31 Cb 0.00 -2.17 -0.01 0.00 -0.45 0.00 0.00 34.95 32.32 1xnt s ARG 31 CO 0.00 0.38 0.09 1.63 -0.68 0.00 0.00 175.30 176.71 1xnt n LYS 32 N 2.97 0.71 -3.53 3.54 5.02 -1.26 -4.75 118.16 120.85 1xnt n LYS 32 Ca -0.17 -3.20 -0.38 0.00 -2.02 0.00 0.00 58.31 52.54 1xnt n LYS 32 Cb 0.52 1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 36.89 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 -2.84 3.65 -0.02 2.13 -0.00 -0.48 -4.49 118.94 116.87 1xnt s TRP 33 Ca 0.12 0.86 -0.00 0.00 -0.00 0.00 0.00 56.10 57.08 1xnt s TRP 33 Cb 0.01 -2.28 0.03 0.00 -0.00 0.00 0.00 33.47 31.22 1xnt s TRP 33 CO 0.09 0.54 0.03 1.03 -0.00 0.00 0.00 176.95 178.64 1xnt s ARG 34 N -0.63 -0.01 1.03 5.86 0.52 -1.09 -3.19 118.95 121.45 1xnt s ARG 34 Ca 0.22 0.21 -0.16 0.00 -0.52 0.00 0.00 55.73 55.48 1xnt s ARG 34 Cb -0.15 -0.32 0.06 0.00 0.52 0.00 0.00 34.95 35.06 1xnt s ARG 34 CO 0.10 -0.20 0.17 0.00 0.02 0.00 0.00 175.30 175.40 1xnt n ALA 35 N 4.39 -3.43 0.23 2.13 0.00 -0.03 -2.24 120.51 121.56 1xnt n ALA 35 Ca -0.23 -0.95 0.12 0.00 0.00 0.00 0.00 53.44 52.38 1xnt n ALA 35 Cb 0.50 -1.64 0.48 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.79 0.99 -2.62 0.00 0.00 -1.63 -3.31 119.26 110.90 1xnt h ALA 36 Ca -0.48 -0.14 -0.43 0.00 0.00 0.00 0.00 54.91 53.86 1xnt h ALA 36 Cb 1.32 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1xnt h ALA 36 CO 0.36 0.19 -0.53 -1.59 0.00 0.00 0.00 179.25 177.68 1xnt s LYS 37 N -3.58 1.64 0.53 0.00 -2.85 -1.26 -4.78 119.74 109.44 1xnt s LYS 37 Ca 0.02 -1.94 -0.05 0.00 -1.00 0.00 0.00 55.97 52.99 1xnt s LYS 37 Cb 0.09 0.14 0.11 0.00 -2.06 0.00 0.00 37.83 36.12 1xnt s LYS 37 CO 0.62 -0.55 0.72 0.00 0.10 0.00 0.00 175.35 176.24 1xnt n ALA 38 N -0.58 -0.40 0.00 0.59 0.00 -1.26 -4.24 120.51 114.61 1xnt n ALA 38 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1xnt n ALA 38 Cb 0.64 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.08 2.38 3.36 0.00 0.00 0.30 -4.84 105.19 106.31 1xnt n GLY 39 Ca 0.10 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -1.13 -0.11 1.61 4.71 -1.26 -3.67 120.64 120.79 1xnt n GLU 40 Ca 0.00 1.11 -0.18 0.00 -0.01 0.00 0.00 57.16 58.07 1xnt n GLU 40 Cb 0.00 -1.52 -0.10 0.00 -1.01 0.00 0.00 31.44 28.82 1xnt n GLU 40 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1xnt n LYS 41 N 0.53 0.53 -3.15 3.49 2.85 -1.26 -3.19 118.16 117.95 1xnt n LYS 41 Ca -0.05 0.16 0.04 0.00 -1.05 0.00 0.00 58.31 57.41 1xnt n LYS 41 Cb 0.60 -1.40 -0.01 0.00 -0.65 0.00 0.00 35.03 33.57 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 -2.43 -0.98 -0.11 0.58 -4.23 -1.26 -2.54 115.64 104.67 1xnt s THR 42 Ca -0.31 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 1xnt s THR 42 Cb 0.09 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 1xnt s THR 42 CO 0.47 0.00 -0.01 0.27 -0.54 0.00 0.00 174.62 174.82 1xnt s ILE 43 N 2.85 4.22 -0.08 2.99 -4.36 -0.19 -4.96 121.20 121.67 1xnt s ILE 43 Ca 0.17 -0.27 0.03 0.00 -0.26 0.00 0.00 60.65 60.32 1xnt s ILE 43 Cb -0.13 -2.80 -0.02 0.00 1.25 0.00 0.00 42.46 40.76 1xnt s ILE 43 CO -0.23 0.56 -0.17 -0.94 0.24 0.00 0.00 174.94 174.41 1xnt s SER 44 N -0.47 3.78 -0.28 4.36 1.04 -0.89 -0.58 113.70 120.67 1xnt s SER 44 Ca 0.08 -0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 1xnt s SER 44 Cb -0.12 -1.14 0.11 0.00 0.10 0.00 0.00 66.02 64.97 1xnt s SER 44 CO 0.02 0.25 0.18 0.54 0.98 0.00 0.00 173.24 175.21 1xnt s VAL 45 N -0.18 -0.18 -0.29 5.02 0.11 0.14 0.38 120.40 125.40 1xnt s VAL 45 Ca -0.01 -0.60 -0.20 0.00 -2.93 0.00 0.00 61.98 58.24 1xnt s VAL 45 Cb -0.13 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1xnt s VAL 45 CO 0.03 -0.59 0.62 -0.69 -3.33 0.00 0.00 175.10 171.14 1xnt s VAL 46 N 2.19 4.96 0.36 2.04 1.01 0.17 -1.35 120.40 129.77 1xnt s VAL 46 Ca 0.08 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.06 1xnt s VAL 46 Cb -0.15 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1xnt s VAL 46 CO -0.32 -0.09 0.41 -0.76 0.00 0.00 0.00 175.10 174.34 1xnt s LEU 47 N 2.56 3.73 0.21 3.92 1.02 0.95 -1.14 118.68 129.94 1xnt s LEU 47 Ca 0.25 -0.39 0.07 0.00 0.02 0.00 0.00 54.13 54.08 1xnt s LEU 47 Cb -0.15 -2.47 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 1xnt s LEU 47 CO 0.11 -0.47 0.11 -1.58 0.02 0.00 0.00 176.35 174.53 1xnt s GLN 48 N -4.13 2.71 -0.21 1.70 -0.44 0.07 -0.80 119.66 118.57 1xnt s GLN 48 Ca 0.45 -1.07 -0.06 0.00 -2.50 0.00 0.00 55.36 52.18 1xnt s GLN 48 Cb -0.07 -2.48 -0.03 0.00 -1.64 0.00 0.00 33.01 28.78 1xnt s GLN 48 CO 0.29 0.43 0.03 -0.51 0.50 0.00 0.00 175.29 176.03 1xnt s LEU 49 N -3.43 3.41 0.00 3.68 1.43 0.13 -2.53 118.68 121.36 1xnt s LEU 49 Ca 0.31 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1xnt s LEU 49 Cb -0.09 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1xnt s LEU 49 CO 0.22 0.06 0.69 -1.84 0.23 0.00 0.00 176.35 175.72 1xnt n GLU 50 N 4.29 0.00 -3.62 1.70 0.28 -1.11 -4.50 120.64 117.67 1xnt n GLU 50 Ca -0.17 0.24 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 1xnt n GLU 50 Cb 0.52 -1.63 -0.07 0.00 1.43 0.00 0.00 31.44 31.69 1xnt n GLU 50 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1xnt s LYS 51 N -2.39 0.78 -0.44 3.44 -2.85 -1.26 -5.03 119.74 112.00 1xnt s LYS 51 Ca 0.00 0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 55.53 1xnt s LYS 51 Cb 0.00 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1xnt s LYS 51 CO 0.00 -0.11 1.41 -2.00 0.10 0.00 0.00 175.35 174.75 1xnt s GLU 52 N 0.20 3.53 0.30 1.78 2.12 -1.26 -4.65 118.70 120.71 1xnt s GLU 52 Ca -0.00 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.19 1xnt s GLU 52 Cb -0.05 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 30.29 1xnt s GLU 52 CO 0.00 -1.62 0.33 -1.83 -0.54 0.00 0.00 175.26 171.60 1xnt s GLU 53 N 5.02 1.65 0.23 4.30 4.04 0.31 -4.73 118.70 129.52 1xnt s GLU 53 Ca 0.60 -1.77 -0.03 0.00 0.04 0.00 0.00 54.97 53.81 1xnt s GLU 53 Cb -0.13 0.36 0.05 0.00 0.02 0.00 0.00 34.13 34.44 1xnt s GLU 53 CO 0.32 -0.63 0.31 1.04 -1.84 0.00 0.00 175.26 174.45 1xnt n GLN 54 N -0.50 -0.05 -3.72 -4.83 6.02 -1.26 0.10 117.38 113.14 1xnt n GLN 54 Ca 0.03 -0.59 -0.20 0.00 -0.01 0.00 0.00 57.00 56.23 1xnt n GLN 54 Cb 0.63 -0.28 -0.18 0.00 1.02 0.00 0.00 30.24 31.43 1xnt n GLN 54 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xnt s ILE 55 N -1.33 0.02 -0.10 5.09 1.09 -0.44 -4.55 121.20 120.98 1xnt s ILE 55 Ca 0.18 0.32 0.08 0.00 -1.10 0.00 0.00 60.65 60.14 1xnt s ILE 55 Cb -0.01 -0.23 -0.12 0.00 -1.06 0.00 0.00 42.46 41.04 1xnt s ILE 55 CO 0.13 0.19 0.03 1.57 -0.10 0.00 0.00 174.94 176.75 1xnt n HIS 56 N 5.08 0.00 -3.86 3.97 -0.00 -1.07 -4.61 115.22 114.72 1xnt n HIS 56 Ca -0.08 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.00 1xnt n HIS 56 Cb 0.50 -0.49 -0.09 0.00 -0.12 0.00 0.00 29.99 29.79 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 -4.28 0.06 0.07 0.26 0.01 -0.39 -0.63 113.70 108.80 1xnt s SER 57 Ca -0.06 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1xnt s SER 57 Cb 0.03 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.50 1xnt s SER 57 CO 0.40 -0.54 -0.05 -0.69 0.41 0.00 0.00 173.24 172.77 1xnt s VAL 58 N -2.55 0.44 -0.03 3.43 1.01 0.96 -1.06 120.40 122.60 1xnt s VAL 58 Ca -0.05 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.19 1xnt s VAL 58 Cb -0.01 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1xnt s VAL 58 CO -0.04 -0.87 -0.08 -0.62 0.00 0.00 0.00 175.10 173.49 1xnt s ASP 59 N -2.79 1.09 -0.15 3.32 -1.08 0.29 0.29 116.67 117.64 1xnt s ASP 59 Ca 0.06 -0.17 -0.07 0.00 -0.52 0.00 0.00 52.55 51.86 1xnt s ASP 59 Cb 0.04 -0.33 0.06 0.00 -1.46 0.00 0.00 42.92 41.23 1xnt s ASP 59 CO -0.06 0.04 0.35 -0.63 0.52 0.00 0.00 175.17 175.38 1xnt s ILE 60 N 0.32 -0.24 -0.32 4.11 1.09 -0.43 0.40 121.20 126.14 1xnt s ILE 60 Ca -0.05 0.16 -0.16 0.00 -1.10 0.00 0.00 60.65 59.50 1xnt s ILE 60 Cb -0.09 -0.54 -0.02 0.00 -1.06 0.00 0.00 42.46 40.75 1xnt s ILE 60 CO 0.00 0.07 0.41 -0.83 -0.10 0.00 0.00 174.94 174.49 1xnt s GLY 61 N 1.83 1.87 0.04 6.18 0.00 -0.62 -1.24 107.32 115.37 1xnt s GLY 61 Ca -0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 1xnt s GLY 61 CO -0.11 1.06 1.46 -1.31 0.00 0.00 0.00 173.10 174.20 1xnt s ASN 62 N 1.70 6.78 -0.62 1.64 -0.87 0.21 0.03 114.94 123.82 1xnt s ASN 62 Ca 0.15 2.25 0.04 0.00 -1.57 0.00 0.00 52.86 53.73 1xnt s ASN 62 Cb -0.16 -2.57 0.16 0.00 -0.02 0.00 0.00 41.25 38.66 1xnt s ASN 62 CO 0.11 -0.75 0.42 -0.62 -2.57 0.00 0.00 177.10 173.69 1xnt s ASP 63 N 1.87 4.25 -0.11 -1.22 -1.08 -0.35 0.10 116.67 120.13 1xnt s ASP 63 Ca 0.66 -3.53 0.00 0.00 -0.52 0.00 0.00 52.55 49.17 1xnt s ASP 63 Cb -0.34 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 1xnt s ASP 63 CO 0.29 -0.13 0.00 0.61 0.52 0.00 0.00 175.17 176.45 1xnt n GLY 64 N 2.39 0.43 4.03 2.66 0.00 0.71 -2.87 105.19 112.53 1xnt n GLY 64 Ca 0.18 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1xnt n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xnt s SER 65 N -2.14 4.93 0.00 1.61 1.04 -1.24 -4.65 113.70 113.24 1xnt s SER 65 Ca 0.00 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1xnt s SER 65 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1xnt s SER 65 CO 0.00 -1.46 0.00 0.00 0.98 0.00 0.00 173.24 172.76 1xnt n ALA 66 N -2.37 2.75 -2.89 5.32 0.00 -1.26 -3.99 120.51 118.06 1xnt n ALA 66 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1xnt n ALA 66 Cb 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.76 3.01 -0.16 0.00 0.08 0.17 -0.23 117.98 119.10 1xnt s PHE 67 Ca 0.00 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 1xnt s PHE 67 Cb 0.00 -1.91 0.05 0.00 -0.57 0.00 0.00 43.02 40.59 1xnt s PHE 67 CO 0.00 0.04 -0.00 0.08 -0.10 0.00 0.00 175.22 175.23 1xnt s VAL 68 N 0.13 0.72 0.10 -0.44 1.01 -0.31 0.18 120.40 121.80 1xnt s VAL 68 Ca -0.01 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1xnt s VAL 68 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1xnt s VAL 68 CO 0.03 0.01 0.04 -0.70 0.00 0.00 0.00 175.10 174.48 1xnt s GLU 69 N 1.79 2.69 -0.03 2.72 2.12 -0.23 0.24 118.70 128.00 1xnt s GLU 69 Ca 0.01 -0.81 -0.01 0.00 0.36 0.00 0.00 54.97 54.52 1xnt s GLU 69 Cb -0.15 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.66 1xnt s GLU 69 CO -0.07 0.54 0.06 0.08 -0.54 0.00 0.00 175.26 175.33 1xnt s VAL 70 N -1.41 -0.08 0.28 3.70 1.01 -0.60 -1.40 120.40 121.89 1xnt s VAL 70 Ca 0.28 0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.62 1xnt s VAL 70 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1xnt s VAL 70 CO 0.20 0.11 -0.01 -0.76 0.00 0.00 0.00 175.10 174.64 1xnt s LEU 71 N 1.41 3.12 0.17 3.92 1.02 -0.19 -1.68 118.68 126.45 1xnt s LEU 71 Ca -0.05 -0.73 0.08 0.00 0.02 0.00 0.00 54.13 53.46 1xnt s LEU 71 Cb -0.13 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 1xnt s LEU 71 CO -0.04 -0.04 -0.18 0.68 0.02 0.00 0.00 176.35 176.79 1xnt s VAL 72 N -2.37 1.78 0.04 -1.59 -7.23 -0.15 -1.32 120.40 109.57 1xnt s VAL 72 Ca 0.32 -1.93 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 1xnt s VAL 72 Cb -0.05 -1.84 0.10 0.00 0.56 0.00 0.00 36.38 35.15 1xnt s VAL 72 CO 0.20 -0.34 1.16 -0.83 -0.31 0.00 0.00 175.10 174.98 1xnt s GLY 73 N -2.70 -0.35 0.35 2.32 0.00 -0.46 0.15 107.32 106.63 1xnt s GLY 73 Ca 0.16 0.50 0.09 0.00 0.00 0.00 0.00 44.72 45.47 1xnt s GLY 73 CO 0.06 0.09 -0.08 -0.45 0.00 0.00 0.00 173.10 172.72 1xnt s SER 74 N -2.95 3.76 0.00 1.64 0.15 -1.26 -0.50 113.70 114.53 1xnt s SER 74 Ca 0.13 -1.21 0.14 0.00 0.70 0.00 0.00 55.95 55.72 1xnt s SER 74 Cb 0.02 -0.36 0.64 0.00 -1.71 0.00 0.00 66.02 64.61 1xnt s SER 74 CO -0.02 -0.23 1.45 -0.24 1.20 0.00 0.00 173.24 175.41 1xnt n SER 75 N -0.81 0.00 -4.68 5.45 2.88 -1.26 -4.76 113.62 110.43 1xnt n SER 75 Ca -0.05 0.44 -0.39 0.00 -1.33 0.00 0.00 58.87 57.53 1xnt n SER 75 Cb 0.64 -0.47 0.03 0.00 -0.75 0.00 0.00 64.21 63.66 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt n ALA 76 N -1.47 0.94 -1.30 -1.46 0.00 -1.26 -4.89 120.51 111.07 1xnt n ALA 76 Ca 0.04 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1xnt n ALA 76 Cb 0.16 -2.23 0.12 0.00 0.00 0.00 0.00 19.45 17.50 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 0.97 5.40 0.00 0.00 0.00 -1.26 -4.39 105.19 105.90 1xnt n GLY 77 Ca 0.10 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.00 -1.65 0.21 -0.02 0.00 -1.26 -4.43 105.19 97.03 1xnt n GLY 78 Ca 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.00 1.00 0.00 4.61 0.00 -2.02 -3.48 119.26 117.37 1xnt h ALA 79 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xnt h ALA 79 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xnt h ALA 79 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1xnt n GLY 80 N -0.11 4.34 3.13 0.00 0.00 -1.26 -4.99 105.19 106.31 1xnt n GLY 80 Ca -0.02 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.36 3.10 0.00 1.61 4.71 -1.26 -3.91 120.64 124.53 1xnt n GLU 81 Ca 0.00 -3.05 0.00 0.00 -0.01 0.00 0.00 57.16 54.10 1xnt n GLU 81 Cb 0.00 -3.32 0.00 0.00 -1.01 0.00 0.00 31.44 27.11 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1xnt n GLN 82 N 6.76 0.00 -0.05 3.49 6.02 -1.26 -4.93 117.38 127.41 1xnt n GLN 82 Ca 0.49 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.35 1xnt n GLN 82 Cb 0.42 -0.06 -0.07 0.00 1.02 0.00 0.00 30.24 31.54 1xnt n GLN 82 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1xnt h ASP 83 N 0.00 0.29 -3.44 1.08 1.82 -1.97 -3.49 116.42 110.71 1xnt h ASP 83 Ca 0.00 -0.46 0.36 0.00 -0.39 0.00 0.00 57.03 56.54 1xnt h ASP 83 Cb 0.00 -0.08 -0.17 0.00 0.68 0.00 0.00 39.33 39.76 1xnt h ASP 83 CO 0.00 0.69 -1.08 -1.22 -1.61 0.00 0.00 179.24 176.02 1xnt n TYR 84 N -4.64 -3.78 -3.85 0.28 4.02 -1.26 -4.78 117.16 103.15 1xnt n TYR 84 Ca -0.06 2.03 -0.35 0.00 -0.01 0.00 0.00 57.90 59.51 1xnt n TYR 84 Cb 0.32 -3.44 -0.09 0.00 -0.02 0.00 0.00 39.34 36.11 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 -3.81 4.09 -0.90 -0.72 0.41 0.12 -4.83 118.70 113.06 1xnt s GLU 85 Ca 0.00 -0.28 -0.26 0.00 -0.41 0.00 0.00 54.97 54.02 1xnt s GLU 85 Cb 0.00 -3.33 -0.16 0.00 -1.78 0.00 0.00 34.13 28.86 1xnt s GLU 85 CO 0.00 0.27 2.28 0.08 -0.49 0.00 0.00 175.26 177.40 1xnt s VAL 86 N 0.41 3.05 0.08 2.63 1.01 -1.26 -0.98 120.40 125.34 1xnt s VAL 86 Ca 0.06 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1xnt s VAL 86 Cb -0.12 -3.41 -0.16 0.00 0.00 0.00 0.00 36.38 32.68 1xnt s VAL 86 CO -0.01 -0.11 1.70 0.25 0.00 0.00 0.00 175.10 176.93 1xnt h LEU 87 N 22.15 -0.30 -7.26 3.92 5.85 -1.82 -3.41 115.31 134.44 1xnt h LEU 87 Ca 0.02 0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.48 1xnt h LEU 87 Cb 1.00 0.08 -0.34 0.00 0.37 0.00 0.00 40.66 41.76 1xnt h LEU 87 CO 1.02 -0.21 -0.60 -1.48 -0.34 0.00 0.00 178.44 176.83 1xnt s LEU 88 N -10.14 -0.07 1.23 2.25 0.05 -0.68 -1.25 118.68 110.08 1xnt s LEU 88 Ca -0.15 0.41 -0.17 0.00 0.05 0.00 0.00 54.13 54.27 1xnt s LEU 88 Cb 0.05 0.41 0.27 0.00 -2.05 0.00 0.00 46.19 44.87 1xnt s LEU 88 CO 0.64 -0.23 0.71 0.52 -0.55 0.00 0.00 176.35 177.44 1xnt n VAL 89 N 5.22 0.00 -1.72 1.48 0.31 -1.26 -1.56 118.33 120.80 1xnt n VAL 89 Ca -0.07 -0.32 -0.43 0.00 -0.01 0.00 0.00 64.34 63.51 1xnt n VAL 89 Cb 0.50 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 1xnt n VAL 89 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1xnt n THR 90 N -5.06 1.00 -4.36 2.52 5.66 -1.26 -4.44 114.28 108.34 1xnt n THR 90 Ca 0.04 -0.25 -0.34 0.00 -3.05 0.00 0.00 64.05 60.45 1xnt n THR 90 Cb 0.56 -1.80 -0.12 0.00 -1.55 0.00 0.00 70.33 67.42 1xnt n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1xnt s SER 91 N 0.43 4.92 -0.18 1.09 1.04 0.14 -4.71 113.70 116.42 1xnt s SER 91 Ca 0.65 -0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.76 1xnt s SER 91 Cb -0.55 -1.76 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 1xnt s SER 91 CO 0.49 0.19 0.77 -0.44 0.98 0.00 0.00 173.24 175.23 1xnt s SER 92 N 0.24 6.86 0.00 7.02 0.01 -1.25 -1.16 113.70 125.42 1xnt s SER 92 Ca -0.02 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1xnt s SER 92 Cb -0.14 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1xnt s SER 92 CO 0.03 -0.37 0.00 0.49 0.41 0.00 0.00 173.24 173.80 1xnt n PHE 93 N 5.24 0.00 -3.57 2.43 3.72 0.68 -5.00 117.46 120.96 1xnt n PHE 93 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xnt n PHE 93 Cb 0.49 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 -2.72 2.74 -4.56 -1.08 2.81 -1.25 -5.04 117.12 108.02 1xnt n MET 94 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1xnt n MET 94 Cb 0.42 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.85 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 -0.14 3.08 -0.05 7.83 1.04 -1.26 -4.61 113.70 119.60 1xnt s SER 95 Ca 0.00 -1.58 0.07 0.00 0.48 0.00 0.00 55.95 54.91 1xnt s SER 95 Cb 0.00 0.32 0.28 0.00 0.10 0.00 0.00 66.02 66.72 1xnt s SER 95 CO 0.00 -0.81 1.08 -0.81 0.98 0.00 0.00 173.24 173.68 1xnt n PRO 96 N -0.95 2.11 0.00 4.02 -0.04 -1.26 -4.04 135.00 134.84 1xnt n PRO 96 Ca -0.08 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 1xnt n PRO 96 Cb 0.66 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1xnt n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xnt n SER 97 N 0.28 3.12 0.33 3.54 2.88 -1.26 -4.65 113.62 117.86 1xnt n SER 97 Ca 0.10 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.84 1xnt n SER 97 Cb 0.44 0.00 1.09 0.00 -0.75 0.00 0.00 64.21 64.99 1xnt n SER 97 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1xnt h GLU 98 N 0.00 0.00 -0.58 -1.46 3.07 -1.88 -2.42 114.58 111.31 1xnt h GLU 98 Ca 0.00 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.03 1xnt h GLU 98 Cb 0.99 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1xnt h GLU 98 CO 0.00 0.00 0.62 0.77 -1.40 0.00 0.00 179.01 179.00 1xnt h SER 99 N 0.00 0.00 0.00 1.42 0.02 -1.81 -2.89 113.55 110.28 1xnt h SER 99 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xnt h SER 99 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1xnt h SER 99 CO -0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1xnt n ARG 100 N -3.66 0.00 -2.05 3.45 1.74 -0.91 -4.77 116.66 110.46 1xnt n ARG 100 Ca 0.12 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.17 1xnt n ARG 100 Cb 0.84 -0.09 0.06 0.00 -1.02 0.00 0.00 32.46 32.24 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xnt n SER 101 N -0.19 -1.10 0.15 0.55 2.88 -1.23 -4.78 113.62 109.90 1xnt n SER 101 Ca 0.00 -1.90 0.09 0.00 -1.33 0.00 0.00 58.87 55.73 1xnt n SER 101 Cb 0.00 0.48 0.06 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.60 0.00 0.00 0.46 0.00 -1.78 -3.48 103.07 98.88 1xnt h GLY 102 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1xnt h GLY 102 CO -0.18 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.80 1xnt n SER 103 N -2.95 0.00 -3.85 0.19 7.64 -1.26 -5.01 113.62 108.38 1xnt n SER 103 Ca 0.01 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.59 1xnt n SER 103 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 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 2.00 4.11 0.43 6.43 4.22 -1.26 -4.94 114.94 125.93 1xnt s ASN 104 Ca 0.00 -2.57 0.23 0.00 -2.14 0.00 0.00 52.86 48.38 1xnt s ASN 104 Cb 0.00 -1.32 0.80 0.00 1.28 0.00 0.00 41.25 42.01 1xnt s ASN 104 CO 0.00 -0.29 1.77 1.55 -2.04 0.00 0.00 177.10 178.09 1xnt h PRO 105 N 6.95 0.00 -5.85 3.55 0.13 -1.81 -3.42 132.00 131.55 1xnt h PRO 105 Ca -0.05 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.52 1xnt h PRO 105 Cb 0.94 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.80 1xnt h PRO 105 CO 0.56 0.23 -0.83 -0.80 -0.23 0.00 0.00 178.00 176.93 1xnt s ASN 106 N -6.19 2.23 0.16 1.44 0.02 -1.26 -0.21 114.94 111.14 1xnt s ASN 106 Ca 0.01 -0.45 -0.01 0.00 -1.02 0.00 0.00 52.86 51.40 1xnt s ASN 106 Cb 0.09 -0.20 0.00 0.00 0.02 0.00 0.00 41.25 41.17 1xnt s ASN 106 CO 0.65 0.16 0.22 0.54 0.02 0.00 0.00 177.10 178.69 1xnt n ARG 107 N 2.10 0.32 -3.77 -0.60 5.12 0.28 -4.93 116.66 115.18 1xnt n ARG 107 Ca -0.17 -1.32 -0.13 0.00 -1.93 0.00 0.00 57.85 54.30 1xnt n ARG 107 Cb 0.54 1.26 -0.10 0.00 -1.16 0.00 0.00 32.46 33.00 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xnt s VAL 108 N -2.61 0.02 -0.09 1.55 1.01 -1.26 -0.62 120.40 118.40 1xnt s VAL 108 Ca 0.14 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 1xnt s VAL 108 Cb -0.00 -0.48 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1xnt s VAL 108 CO 0.10 -0.07 0.46 -0.13 0.00 0.00 0.00 175.10 175.46 1xnt s ARG 109 N -0.20 0.71 0.13 2.72 3.00 -0.37 -4.80 118.95 120.13 1xnt s ARG 109 Ca -0.03 0.25 0.08 0.00 0.00 0.00 0.00 55.73 56.02 1xnt s ARG 109 Cb -0.03 0.33 -0.04 0.00 0.00 0.00 0.00 34.95 35.21 1xnt s ARG 109 CO 0.01 -0.17 -0.19 -1.64 0.00 0.00 0.00 175.30 173.32 1xnt s MET 110 N -0.67 1.16 0.25 3.54 -1.94 -1.26 -1.32 119.30 119.07 1xnt s MET 110 Ca -0.08 -1.26 0.09 0.00 -1.71 0.00 0.00 55.69 52.74 1xnt s MET 110 Cb -0.03 -1.29 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 1xnt s MET 110 CO 0.04 0.28 -0.01 -0.06 -0.01 0.00 0.00 175.02 175.26 1xnt s PHE 111 N -1.63 2.70 0.00 -0.03 0.40 0.15 -4.92 117.98 114.65 1xnt s PHE 111 Ca 0.10 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1xnt s PHE 111 Cb -0.08 -1.21 0.00 0.00 0.51 0.00 0.00 43.02 42.24 1xnt s PHE 111 CO 0.05 0.60 0.00 0.41 0.70 0.00 0.00 175.22 176.98 1xnt n GLY 112 N -0.75 5.22 0.20 4.36 0.00 -1.26 -0.03 105.19 112.93 1xnt n GLY 112 Ca -0.07 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 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 0.70 0.00 1.61 0.13 -1.22 -3.16 132.00 130.06 1xnt h PRO 113 Ca 0.00 -0.66 -0.05 0.00 -0.87 0.00 0.00 66.00 64.42 1xnt h PRO 113 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1xnt h PRO 113 CO 0.00 1.26 -0.24 0.22 -0.23 0.00 0.00 178.00 179.01 1xnt h ASP 114 N 0.44 0.00 -0.15 1.44 1.82 -1.97 -1.61 116.42 116.40 1xnt h ASP 114 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1xnt h ASP 114 Cb 1.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.55 1xnt h ASP 114 CO 0.18 0.24 0.00 0.29 -1.61 0.00 0.00 179.24 178.34 1xnt n LYS 115 N -4.01 1.70 -4.97 0.28 5.02 -1.20 -4.85 118.16 110.13 1xnt n LYS 115 Ca -0.02 -1.05 -0.27 0.00 -2.02 0.00 0.00 58.31 54.95 1xnt n LYS 115 Cb 0.31 -1.40 -0.16 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.62 2.03 0.25 -0.35 0.05 -0.61 -4.21 118.68 114.22 1xnt s LEU 116 Ca 0.33 -0.36 -0.31 0.00 0.05 0.00 0.00 54.13 53.84 1xnt s LEU 116 Cb 0.18 -1.03 -0.12 0.00 -2.05 0.00 0.00 46.19 43.17 1xnt s LEU 116 CO 0.27 0.24 1.67 0.54 -0.55 0.00 0.00 176.35 178.52 1xnt s VAL 117 N -0.45 2.04 0.16 1.48 0.11 -0.38 -4.83 120.40 118.54 1xnt s VAL 117 Ca 0.07 0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.15 1xnt s VAL 117 Cb -0.08 -3.02 -0.14 0.00 -1.53 0.00 0.00 36.38 31.62 1xnt s VAL 117 CO -0.01 0.00 1.39 0.03 -3.33 0.00 0.00 175.10 173.19 1xnt h ARG 118 N 5.90 0.33 0.00 1.54 3.08 -1.93 0.83 114.38 124.14 1xnt h ARG 118 Ca -0.45 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.29 1xnt h ARG 118 Cb 1.21 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1xnt h ARG 118 CO 0.88 0.99 -0.01 0.00 -1.07 0.00 0.00 179.97 180.76 1xnt h ALA 119 N 0.91 1.03 0.00 0.04 0.00 -2.00 -3.08 119.26 116.16 1xnt h ALA 119 Ca -0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xnt h ALA 119 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1xnt h ALA 119 CO 0.14 0.01 -1.19 0.00 0.00 0.00 0.00 179.25 178.21 1xnt n ALA 120 N -2.10 2.60 -0.33 0.00 0.00 -1.14 -4.61 120.51 114.94 1xnt n ALA 120 Ca -0.02 -0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.45 1xnt n ALA 120 Cb 0.15 0.45 0.36 0.00 0.00 0.00 0.00 19.45 20.41 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 1.67 0.00 0.00 0.00 0.60 0.82 119.26 122.26 1xnt h ALA 121 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xnt h ALA 121 Cb 1.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xnt h ALA 121 CO -0.04 -0.31 0.00 -0.85 0.00 0.00 0.00 179.25 178.04 1xnt n GLU 122 N -4.96 0.68 -3.31 0.00 -0.00 -1.16 -1.32 120.64 110.57 1xnt n GLU 122 Ca 0.25 0.01 -0.38 0.00 -0.00 0.00 0.00 57.16 57.05 1xnt n GLU 122 Cb 0.72 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.61 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 -2.22 4.26 -0.21 3.44 1.02 0.29 -4.85 119.74 121.46 1xnt s LYS 123 Ca 0.35 0.55 -0.29 0.00 0.02 0.00 0.00 55.97 56.60 1xnt s LYS 123 Cb 0.18 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1xnt s LYS 123 CO 0.35 0.33 1.85 1.03 -0.92 0.00 0.00 175.35 178.00 1xnt s ARG 124 N 0.02 3.56 0.32 1.68 0.52 -1.26 -4.32 118.95 119.47 1xnt s ARG 124 Ca 0.27 1.81 0.09 0.00 -0.52 0.00 0.00 55.73 57.39 1xnt s ARG 124 Cb -0.17 -4.18 -0.05 0.00 0.52 0.00 0.00 34.95 31.08 1xnt s ARG 124 CO 0.13 -1.59 -0.02 -1.58 0.02 0.00 0.00 175.30 172.26 1xnt s TRP 125 N 6.29 2.53 0.00 -0.53 0.52 0.11 -4.70 118.94 123.17 1xnt s TRP 125 Ca 0.83 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 56.56 1xnt s TRP 125 Cb -0.29 -1.38 0.00 0.00 -1.15 0.00 0.00 33.47 30.66 1xnt s TRP 125 CO 0.33 0.53 0.43 -0.40 0.02 0.00 0.00 176.95 177.87 1xnt n ASP 126 N -0.90 0.19 -3.86 2.95 5.75 -0.56 -0.53 116.55 119.59 1xnt n ASP 126 Ca -0.05 -1.08 -0.14 0.00 -0.01 0.00 0.00 54.79 53.52 1xnt n ASP 126 Cb 0.62 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.56 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1xnt s ARG 127 N -0.08 0.08 0.03 0.11 0.52 0.34 0.19 118.95 120.13 1xnt s ARG 127 Ca 0.00 0.02 0.06 0.00 -0.52 0.00 0.00 55.73 55.29 1xnt s ARG 127 Cb 0.00 -0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.30 1xnt s ARG 127 CO 0.00 -0.03 -0.17 0.54 0.02 0.00 0.00 175.30 175.66 1xnt s VAL 128 N 0.31 1.32 -0.31 3.52 0.11 0.02 -1.35 120.40 124.02 1xnt s VAL 128 Ca -0.03 -0.98 -0.05 0.00 -2.93 0.00 0.00 61.98 58.00 1xnt s VAL 128 Cb -0.04 -1.16 0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1xnt s VAL 128 CO -0.01 0.16 0.05 -0.75 -3.33 0.00 0.00 175.10 171.22 1xnt s LYS 129 N -0.95 2.64 -0.20 1.54 2.20 -0.43 -0.03 119.74 124.50 1xnt s LYS 129 Ca 0.05 -1.15 -0.09 0.00 -0.36 0.00 0.00 55.97 54.42 1xnt s LYS 129 Cb -0.08 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1xnt s LYS 129 CO 0.01 -0.60 0.11 0.42 -0.36 0.00 0.00 175.35 174.93 1xnt s ILE 130 N 1.36 5.10 -0.13 5.43 -1.09 -0.46 -1.03 121.20 130.38 1xnt s ILE 130 Ca -0.02 0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 1xnt s ILE 130 Cb -0.19 -3.33 0.03 0.00 -1.58 0.00 0.00 42.46 37.39 1xnt s ILE 130 CO 0.01 0.42 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.40 1xnt s VAL 131 N 0.59 0.96 0.05 2.92 1.01 -0.50 0.23 120.40 125.67 1xnt s VAL 131 Ca 0.06 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1xnt s VAL 131 Cb -0.12 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.12 1xnt s VAL 131 CO 0.01 0.24 0.43 0.00 0.00 0.00 0.00 175.10 175.77 1xnt s SER 133 N -1.40 0.29 0.00 0.00 0.01 0.13 -1.03 113.70 111.71 1xnt s SER 133 Ca 0.29 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1xnt s SER 133 Cb -0.16 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1xnt s SER 133 CO 0.16 -0.16 0.00 1.67 0.41 0.00 0.00 173.24 175.32 1xnt n GLN 134 N 4.43 0.00 -2.74 12.44 -0.06 -1.05 -0.65 117.38 129.74 1xnt n GLN 134 Ca -0.23 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.35 1xnt n GLN 134 Cb 0.50 0.00 -0.04 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 -2.79 3.20 -0.09 3.69 0.04 -1.19 -4.23 135.00 133.62 1xnt s PRO 135 Ca 0.00 -0.48 -0.01 0.00 0.04 0.00 0.00 61.00 60.56 1xnt s PRO 135 Cb 0.00 -4.17 -0.00 0.00 0.04 0.00 0.00 34.50 30.37 1xnt s PRO 135 CO 0.00 -1.85 0.03 1.88 0.04 0.00 0.00 177.00 177.10 1xnt h TYR 136 N 9.66 -0.02 -2.61 0.56 0.05 -1.63 -3.44 116.97 119.54 1xnt h TYR 136 Ca -0.28 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.56 1xnt h TYR 136 Cb 1.06 0.01 -0.13 0.00 1.01 0.00 0.00 36.73 38.68 1xnt h TYR 136 CO 1.01 -0.01 0.36 0.45 -1.05 0.00 0.00 178.16 178.92 1xnt s SER 137 N -5.36 -0.44 -0.32 3.88 0.15 -1.26 -4.90 113.70 105.45 1xnt s SER 137 Ca -0.00 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.71 1xnt s SER 137 Cb 0.00 0.49 0.62 0.00 -1.71 0.00 0.00 66.02 65.42 1xnt s SER 137 CO 0.01 -0.80 1.66 0.29 1.20 0.00 0.00 173.24 175.60 1xnt n LYS 138 N -0.32 2.65 -0.02 5.44 5.02 -1.26 0.11 118.16 129.79 1xnt n LYS 138 Ca -0.12 -3.07 -0.06 0.00 -2.02 0.00 0.00 58.31 53.04 1xnt n LYS 138 Cb 0.63 -2.02 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 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 -0.76 0.89 -4.52 4.39 5.68 -1.26 -4.48 116.55 116.50 1xnt n ASP 139 Ca 0.40 0.14 -0.26 0.00 -0.50 0.00 0.00 54.79 54.56 1xnt n ASP 139 Cb 1.26 -0.33 -0.10 0.00 -1.14 0.00 0.00 41.12 40.82 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 -5.82 3.97 0.67 -1.12 1.04 -1.26 -4.70 113.70 106.48 1xnt s SER 140 Ca -0.10 -0.71 -0.08 0.00 0.48 0.00 0.00 55.95 55.54 1xnt s SER 140 Cb 0.03 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.62 1xnt s SER 140 CO 0.13 0.09 1.00 -2.16 0.98 0.00 0.00 173.24 173.29 1xnt s PRO 141 N -2.91 2.68 0.00 4.02 0.04 -1.26 -3.98 135.00 133.58 1xnt s PRO 141 Ca 0.25 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1xnt s PRO 141 Cb -0.08 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1xnt s PRO 141 CO 0.14 -0.98 0.00 1.19 0.04 0.00 0.00 177.00 177.39 1xnt n PHE 142 N -2.84 -0.15 0.00 0.56 3.72 -1.26 -4.81 117.46 112.68 1xnt n PHE 142 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1xnt n PHE 142 Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.00 3.26 1.37 0.00 -1.14 -0.85 105.19 106.82 1xnt n GLY 143 Ca 0.00 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 2.39 0.28 0.99 2.34 -1.19 -1.21 118.68 122.28 1xnt s LEU 144 Ca 0.00 -1.08 0.24 0.00 0.06 0.00 0.00 54.13 53.35 1xnt s LEU 144 Cb 0.00 -0.26 0.40 0.00 -0.56 0.00 0.00 46.19 45.77 1xnt s LEU 144 CO 0.00 -0.42 1.49 0.28 -1.06 0.00 0.00 176.35 176.64 1xnt h SER 145 N 2.72 0.00 0.00 1.48 0.02 -0.63 -1.28 113.55 115.86 1xnt h SER 145 Ca -0.37 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1xnt h SER 145 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1xnt h SER 145 CO 0.64 0.02 0.00 2.22 -1.14 0.00 0.00 176.83 178.57 1xnt n PHE 146 N -2.62 0.00 -3.67 3.45 -1.74 -1.25 -4.42 117.46 107.20 1xnt n PHE 146 Ca 0.04 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.84 1xnt n PHE 146 Cb 0.49 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.40 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 -0.15 -0.17 1.97 -7.23 -1.26 -1.59 120.40 109.98 1xnt s VAL 147 Ca 0.00 0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.19 1xnt s VAL 147 Cb 0.00 -0.76 0.06 0.00 0.56 0.00 0.00 36.38 36.25 1xnt s VAL 147 CO 0.00 0.03 0.11 -0.13 -0.31 0.00 0.00 175.10 174.80 1xnt s ARG 148 N 1.70 0.07 0.43 4.82 0.52 0.16 -4.92 118.95 121.74 1xnt s ARG 148 Ca -0.09 0.00 -0.05 0.00 -0.52 0.00 0.00 55.73 55.08 1xnt s ARG 148 Cb -0.08 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 1xnt s ARG 148 CO -0.15 -0.64 0.72 -0.06 0.02 0.00 0.00 175.30 175.19 1xnt s PHE 149 N 2.17 3.53 -0.22 -0.53 0.08 -1.25 0.11 117.98 121.88 1xnt s PHE 149 Ca 0.03 0.77 -0.20 0.00 0.12 0.00 0.00 56.93 57.65 1xnt s PHE 149 Cb -0.16 -2.25 0.06 0.00 -0.57 0.00 0.00 43.02 40.10 1xnt s PHE 149 CO -0.09 -0.15 0.58 -1.01 -0.10 0.00 0.00 175.22 174.45 1xnt s HIS 150 N -2.55 -0.64 -2.62 0.36 3.76 -0.22 -2.18 115.29 111.19 1xnt s HIS 150 Ca 0.47 1.56 0.27 0.00 -0.15 0.00 0.00 55.06 57.20 1xnt s HIS 150 Cb -0.10 0.23 0.84 0.00 1.11 0.00 0.00 32.58 34.66 1xnt s HIS 150 CO 0.40 -0.31 1.63 0.45 -0.85 0.00 0.00 174.74 176.06