#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xlp s LYS 2 N 0.00 4.42 -0.05 1.43 2.20 -1.26 0.24 119.74 126.72 1xlp s LYS 2 Ca 0.00 1.94 0.01 0.00 -0.36 0.00 0.00 55.97 57.55 1xlp s LYS 2 Cb 0.00 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1xlp s LYS 2 CO 0.00 -0.23 -0.04 0.08 -0.36 0.00 0.00 175.35 174.80 1xlp s VAL 3 N 0.42 0.56 -0.14 4.02 1.01 -0.09 0.21 120.40 126.38 1xlp s VAL 3 Ca 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1xlp s VAL 3 Cb -0.34 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1xlp s VAL 3 CO 0.34 0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 174.91 1xlp s VAL 4 N 1.16 3.44 -0.21 2.92 1.01 -0.14 -0.77 120.40 127.82 1xlp s VAL 4 Ca -0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1xlp s VAL 4 Cb -0.14 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1xlp s VAL 4 CO -0.01 0.51 -0.07 -0.31 0.00 0.00 0.00 175.10 175.22 1xlp s TYR 5 N 0.39 2.93 -0.18 5.22 1.51 0.66 -1.23 117.35 126.66 1xlp s TYR 5 Ca -0.07 -1.00 -0.06 0.00 -1.01 0.00 0.00 57.07 54.93 1xlp s TYR 5 Cb -0.15 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1xlp s TYR 5 CO 0.04 -0.56 0.02 0.08 -1.11 0.00 0.00 175.55 174.02 1xlp s VAL 6 N 1.39 4.35 0.72 0.71 1.01 -0.49 -0.84 120.40 127.26 1xlp s VAL 6 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1xlp s VAL 6 Cb -0.14 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.38 1xlp s VAL 6 CO -0.04 0.47 1.02 -0.44 0.00 0.00 0.00 175.10 176.11 1xlp s SER 7 N 0.47 4.54 0.07 3.32 0.01 0.27 -0.54 113.70 121.83 1xlp s SER 7 Ca 0.00 0.20 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 1xlp s SER 7 Cb -0.13 -0.74 -0.13 0.00 0.21 0.00 0.00 66.02 65.23 1xlp s SER 7 CO 0.02 -1.76 1.44 -0.74 0.41 0.00 0.00 173.24 172.61 1xlp h HIS 8 N -0.65 -1.15 0.00 2.43 2.76 -1.86 -0.96 115.15 115.73 1xlp h HIS 8 Ca -0.42 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1xlp h HIS 8 Cb 1.29 0.47 0.00 0.00 1.55 0.00 0.00 27.41 30.72 1xlp h HIS 8 CO 0.02 -0.51 0.39 0.38 -1.30 0.00 0.00 177.93 176.91 1xlp h ASP 9 N -0.72 0.00 0.00 3.26 -0.00 -1.94 -3.43 116.42 113.59 1xlp h ASP 9 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1xlp h ASP 9 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.99 1xlp h ASP 9 CO -0.12 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.73 1xlp n GLY 10 N -1.27 1.05 3.76 7.15 0.00 -0.36 -5.08 105.19 110.43 1xlp n GLY 10 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1xlp n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xlp s THR 11 N -2.00 4.11 -0.11 2.61 2.01 -1.26 -4.73 115.64 116.28 1xlp s THR 11 Ca 0.00 2.01 0.01 0.00 0.31 0.00 0.00 61.69 64.02 1xlp s THR 11 Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1xlp s THR 11 CO 0.00 0.42 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.61 1xlp s ARG 12 N -1.39 3.15 -0.05 4.92 3.52 -1.26 0.96 118.95 128.79 1xlp s ARG 12 Ca 0.43 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1xlp s ARG 12 Cb -0.24 -2.56 0.02 0.00 -1.56 0.00 0.00 34.95 30.61 1xlp s ARG 12 CO 0.30 0.32 -0.07 1.03 -0.81 0.00 0.00 175.30 176.07 1xlp s ARG 13 N 0.06 1.14 -0.10 5.12 1.81 -0.02 -4.99 118.95 121.97 1xlp s ARG 13 Ca -0.05 -0.21 0.01 0.00 -1.72 0.00 0.00 55.73 53.76 1xlp s ARG 13 Cb -0.15 -1.05 -0.02 0.00 -0.45 0.00 0.00 34.95 33.28 1xlp s ARG 13 CO 0.04 -0.06 -0.12 -2.00 -0.68 0.00 0.00 175.30 172.49 1xlp s GLU 14 N 0.88 3.07 0.15 3.54 2.12 -1.26 -0.24 118.70 126.96 1xlp s GLU 14 Ca -0.11 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.62 1xlp s GLU 14 Cb -0.15 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 1xlp s GLU 14 CO 0.01 0.39 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.47 1xlp s LEU 15 N -0.11 2.47 -0.44 2.70 1.43 0.05 -4.98 118.68 119.80 1xlp s LEU 15 Ca -0.01 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 1xlp s LEU 15 Cb -0.14 -0.58 0.11 0.00 0.03 0.00 0.00 46.19 45.61 1xlp s LEU 15 CO 0.03 -0.17 0.29 -0.62 0.23 0.00 0.00 176.35 176.11 1xlp s ASP 16 N -2.85 5.55 -0.20 2.29 3.68 -1.26 -0.91 116.67 122.97 1xlp s ASP 16 Ca 0.15 -1.88 -0.10 0.00 2.13 0.00 0.00 52.55 52.85 1xlp s ASP 16 Cb -0.02 -1.95 -0.05 0.00 -1.45 0.00 0.00 42.92 39.45 1xlp s ASP 16 CO 0.04 -0.62 0.12 -0.69 0.13 0.00 0.00 175.17 174.15 1xlp s VAL 17 N 1.30 5.32 0.75 1.11 1.01 0.14 -4.64 120.40 125.39 1xlp s VAL 17 Ca 0.06 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1xlp s VAL 17 Cb -0.25 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1xlp s VAL 17 CO -0.01 0.44 1.08 0.00 0.00 0.00 0.00 175.10 176.61 1xlp s ALA 18 N 0.37 2.42 0.76 5.51 0.00 -1.26 0.40 121.76 129.96 1xlp s ALA 18 Ca 0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.87 1xlp s ALA 18 Cb -0.11 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 19.91 1xlp s ALA 18 CO -0.02 -1.52 1.23 -0.51 0.00 0.00 0.00 175.76 174.95 1xlp s ASP 19 N -3.79 3.88 0.00 0.00 1.11 -1.26 -2.99 116.67 113.62 1xlp s ASP 19 Ca 0.60 2.45 0.00 0.00 0.18 0.00 0.00 52.55 55.77 1xlp s ASP 19 Cb -0.15 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.25 1xlp s ASP 19 CO 0.55 -2.48 0.00 0.61 1.18 0.00 0.00 175.17 175.03 1xlp n GLY 20 N 0.62 2.25 3.77 0.21 0.00 -0.82 -4.96 105.19 106.26 1xlp n GLY 20 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1xlp n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xlp s VAL 21 N -2.83 5.02 0.44 1.61 1.01 -1.16 -4.79 120.40 119.70 1xlp s VAL 21 Ca 0.00 1.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 1xlp s VAL 21 Cb 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1xlp s VAL 21 CO 0.00 0.44 0.91 -0.94 0.00 0.00 0.00 175.10 175.51 1xlp s SER 22 N -0.22 6.73 0.58 3.32 1.04 -1.26 -0.64 113.70 123.25 1xlp s SER 22 Ca 0.27 1.50 0.34 0.00 0.48 0.00 0.00 55.95 58.55 1xlp s SER 22 Cb -0.17 -2.47 1.80 0.00 0.10 0.00 0.00 66.02 65.28 1xlp s SER 22 CO 0.14 -0.43 2.18 -0.07 0.98 0.00 0.00 173.24 176.03 1xlp h LEU 23 N 1.47 0.00 0.01 2.42 3.38 -1.07 -2.07 115.31 119.45 1xlp h LEU 23 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1xlp h LEU 23 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1xlp h LEU 23 CO 0.62 0.05 -0.00 -0.03 0.09 0.00 0.00 178.44 179.16 1xlp h MET 24 N 0.00 -0.01 -0.59 1.13 4.05 -1.80 -1.89 114.93 115.82 1xlp h MET 24 Ca -0.00 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1xlp h MET 24 Cb 0.22 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.98 1xlp h MET 24 CO 0.01 0.55 0.33 1.96 0.23 0.00 0.00 176.91 179.99 1xlp h GLN 25 N -0.58 0.61 -0.48 0.39 4.20 -1.77 0.67 115.11 118.15 1xlp h GLN 25 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1xlp h GLN 25 Cb 0.57 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1xlp h GLN 25 CO 0.00 0.40 0.31 0.00 -0.67 0.00 0.00 178.83 178.88 1xlp h ALA 26 N 1.30 0.61 0.11 3.87 0.00 -1.41 0.83 119.26 124.57 1xlp h ALA 26 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xlp h ALA 26 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xlp h ALA 26 CO -0.15 0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.12 1xlp h ALA 27 N 1.17 -0.14 -0.60 0.00 0.00 -0.71 -2.59 119.26 116.39 1xlp h ALA 27 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xlp h ALA 27 Cb -0.06 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xlp h ALA 27 CO -0.04 -0.47 0.24 0.28 0.00 0.00 0.00 179.25 179.27 1xlp h VAL 28 N -0.36 1.23 0.00 0.00 2.07 -0.81 0.25 116.25 118.62 1xlp h VAL 28 Ca -0.01 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1xlp h VAL 28 Cb 0.30 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1xlp h VAL 28 CO 0.02 0.28 0.00 -1.20 0.02 0.00 0.00 177.57 176.69 1xlp n SER 29 N -4.47 0.30 -0.37 0.57 7.64 0.28 -2.85 113.62 114.73 1xlp n SER 29 Ca 0.04 0.60 0.08 0.00 1.01 0.00 0.00 58.87 60.59 1xlp n SER 29 Cb 0.16 -0.65 0.16 0.00 -1.01 0.00 0.00 64.21 62.87 1xlp n SER 29 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1xlp n ASN 30 N -1.86 1.93 -2.50 6.43 3.02 -0.89 -4.98 115.26 116.41 1xlp n ASN 30 Ca 0.02 -3.35 -0.18 0.00 -0.03 0.00 0.00 54.58 51.04 1xlp n ASN 30 Cb 0.13 -0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1xlp n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xlp n GLY 31 N -1.17 -0.50 3.76 7.41 0.00 -1.12 -4.92 105.19 108.66 1xlp n GLY 31 Ca 0.16 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1xlp n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xlp s ILE 32 N -2.87 3.28 0.16 -0.61 1.01 0.02 -4.93 121.20 117.25 1xlp s ILE 32 Ca 0.04 1.24 -0.34 0.00 0.00 0.00 0.00 60.65 61.59 1xlp s ILE 32 Cb -0.02 -3.77 -0.14 0.00 0.01 0.00 0.00 42.46 38.55 1xlp s ILE 32 CO 0.05 0.26 1.57 -1.22 0.00 0.00 0.00 174.94 175.60 1xlp n TYR 33 N 0.86 2.25 0.00 3.97 4.01 -1.26 -3.97 117.16 123.02 1xlp n TYR 33 Ca 0.00 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1xlp n TYR 33 Cb 0.45 -2.54 0.00 0.00 -0.31 0.00 0.00 39.34 36.94 1xlp n TYR 33 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1xlp n ASP 34 N 3.42 0.00 -4.68 7.72 10.43 -1.26 -4.94 116.55 127.24 1xlp n ASP 34 Ca 0.17 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.11 1xlp n ASP 34 Cb 0.28 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.21 1xlp n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1xlp s ILE 35 N -0.00 2.98 -0.24 0.53 1.01 -1.25 -4.74 121.20 119.48 1xlp s ILE 35 Ca 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 1xlp s ILE 35 Cb 0.00 -3.19 -0.11 0.00 0.01 0.00 0.00 42.46 39.16 1xlp s ILE 35 CO 0.00 -0.01 -0.26 0.52 0.00 0.00 0.00 174.94 175.19 1xlp n VAL 36 N 5.03 1.52 -3.18 2.92 0.31 -0.38 -4.80 118.33 119.74 1xlp n VAL 36 Ca 0.17 -0.20 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 1xlp n VAL 36 Cb 0.40 -2.02 0.06 0.00 -0.91 0.00 0.00 33.84 31.37 1xlp n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xlp n GLY 37 N 1.34 -0.10 0.21 2.92 0.00 -0.91 -4.95 105.19 103.70 1xlp n GLY 37 Ca -0.41 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1xlp n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xlp h ASP 38 N -1.72 -0.52 0.31 1.61 1.82 -1.96 -2.39 116.42 113.57 1xlp h ASP 38 Ca -0.40 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1xlp h ASP 38 Cb 1.25 0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.52 1xlp h ASP 38 CO 0.38 -0.21 0.00 0.00 -1.61 0.00 0.00 179.24 177.80 1xlp n GLY 40 N -0.17 0.76 0.23 0.00 0.00 -0.90 -4.17 105.19 100.94 1xlp n GLY 40 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xlp n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xlp n GLY 41 N -2.14 1.33 1.47 -0.02 0.00 -1.26 -4.99 105.19 99.58 1xlp n GLY 41 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.99 1xlp n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xlp n SER 42 N 0.23 4.67 -3.63 1.61 3.41 -1.26 -4.86 113.62 113.79 1xlp n SER 42 Ca 0.00 -2.57 -0.23 0.00 -0.26 0.00 0.00 58.87 55.81 1xlp n SER 42 Cb 0.03 -0.56 0.07 0.00 -0.26 0.00 0.00 64.21 63.48 1xlp n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xlp n ALA 43 N 0.78 -1.52 -0.60 7.33 0.00 -1.26 -4.90 120.51 120.33 1xlp n ALA 43 Ca 0.24 0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.95 1xlp n ALA 43 Cb 0.90 -4.36 0.06 0.00 0.00 0.00 0.00 19.45 16.05 1xlp n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xlp n SER 44 N -3.02 1.95 -2.40 0.00 3.41 -1.26 -4.65 113.62 107.65 1xlp n SER 44 Ca -0.08 -2.41 -0.10 0.00 -0.26 0.00 0.00 58.87 56.02 1xlp n SER 44 Cb 0.59 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 1xlp n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xlp n ALA 46 N -1.39 2.54 -0.16 0.00 0.00 -1.26 -4.85 120.51 115.39 1xlp n ALA 46 Ca -0.10 -2.29 0.05 0.00 0.00 0.00 0.00 53.44 51.10 1xlp n ALA 46 Cb 0.41 -0.59 0.26 0.00 0.00 0.00 0.00 19.45 19.54 1xlp n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xlp n THR 47 N -0.08 1.69 -1.90 0.00 -2.24 -1.26 -3.78 114.28 106.72 1xlp n THR 47 Ca 0.08 -0.88 0.05 0.00 -2.27 0.00 0.00 64.05 61.03 1xlp n THR 47 Cb 0.93 -0.29 0.12 0.00 -2.10 0.00 0.00 70.33 68.99 1xlp n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xlp s HIS 49 N -1.80 3.05 0.15 0.00 5.04 -1.25 -1.12 115.29 119.36 1xlp s HIS 49 Ca 0.33 0.65 -0.07 0.00 -1.54 0.00 0.00 55.06 54.43 1xlp s HIS 49 Cb 0.34 -3.90 -0.02 0.00 0.04 0.00 0.00 32.58 29.04 1xlp s HIS 49 CO -0.09 -3.32 0.21 0.14 -2.34 0.00 0.00 174.74 169.34 1xlp s VAL 50 N 1.22 0.08 -0.29 0.89 -7.23 -0.27 -4.09 120.40 110.71 1xlp s VAL 50 Ca 0.70 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1xlp s VAL 50 Cb -0.43 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 34.69 1xlp s VAL 50 CO 0.31 -0.37 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.41 1xlp s TYR 51 N -3.98 3.22 0.00 2.82 1.51 0.63 -1.01 117.35 120.55 1xlp s TYR 51 Ca 0.18 -1.81 -0.30 0.00 -1.01 0.00 0.00 57.07 54.13 1xlp s TYR 51 Cb 0.05 -2.10 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 1xlp s TYR 51 CO -0.00 -0.79 1.33 0.08 -1.11 0.00 0.00 175.55 175.06 1xlp s VAL 52 N 1.27 3.83 0.14 0.71 1.01 0.03 -0.79 120.40 126.60 1xlp s VAL 52 Ca -0.04 1.23 -0.35 0.00 0.00 0.00 0.00 61.98 62.82 1xlp s VAL 52 Cb -0.19 -3.79 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 1xlp s VAL 52 CO -0.02 0.02 1.49 -3.20 0.00 0.00 0.00 175.10 173.39 1xlp n ASN 53 N 5.07 2.59 -0.21 3.32 2.85 0.41 -4.73 115.26 124.56 1xlp n ASN 53 Ca 0.12 1.10 0.31 0.00 -0.11 0.00 0.00 54.58 56.00 1xlp n ASN 53 Cb 0.44 -1.35 0.65 0.00 1.24 0.00 0.00 39.78 40.76 1xlp n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xlp h GLU 54 N 5.40 0.00 0.00 1.20 3.07 -1.91 0.94 114.58 123.27 1xlp h GLU 54 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1xlp h GLU 54 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1xlp h GLU 54 CO 0.85 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.46 1xlp n ALA 55 N -2.47 2.31 0.06 3.43 0.00 -1.26 -3.76 120.51 118.81 1xlp n ALA 55 Ca 0.22 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.55 1xlp n ALA 55 Cb 1.27 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1xlp n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xlp n PHE 56 N -1.40 0.00 -0.30 0.00 3.01 0.32 -4.76 117.46 114.32 1xlp n PHE 56 Ca 0.10 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.75 1xlp n PHE 56 Cb 0.27 -0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.20 1xlp n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1xlp h THR 57 N 0.00 0.63 -0.02 4.37 1.35 -1.63 0.33 112.91 117.94 1xlp h THR 57 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1xlp h THR 57 Cb 0.03 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.55 1xlp h THR 57 CO 0.00 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 174.46 1xlp n ASP 58 N -4.61 0.58 -0.58 5.36 3.85 -1.26 -2.99 116.55 116.90 1xlp n ASP 58 Ca 0.22 -1.29 0.11 0.00 -0.71 0.00 0.00 54.79 53.12 1xlp n ASP 58 Cb 0.73 -0.01 0.01 0.00 -1.35 0.00 0.00 41.12 40.50 1xlp n ASP 58 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1xlp n LYS 59 N -0.50 1.42 -4.52 0.11 5.02 0.10 -4.92 118.16 114.87 1xlp n LYS 59 Ca 0.20 -1.16 -0.34 0.00 -2.02 0.00 0.00 58.31 54.99 1xlp n LYS 59 Cb 0.19 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 1xlp n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xlp s VAL 60 N -2.38 3.78 0.27 -0.18 1.01 -1.16 -4.92 120.40 116.82 1xlp s VAL 60 Ca 0.20 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1xlp s VAL 60 Cb 0.18 -2.61 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 1xlp s VAL 60 CO 0.52 0.54 1.58 -2.65 0.00 0.00 0.00 175.10 175.10 1xlp n PRO 61 N 2.93 2.59 -0.83 2.72 -0.02 -1.26 -4.92 135.00 136.21 1xlp n PRO 61 Ca -0.18 0.92 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 1xlp n PRO 61 Cb 0.53 -2.70 0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1xlp n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xlp s ALA 62 N 0.18 1.62 0.46 3.55 0.00 -1.26 -4.95 121.76 121.35 1xlp s ALA 62 Ca 0.67 0.62 -0.25 0.00 0.00 0.00 0.00 51.96 53.00 1xlp s ALA 62 Cb -0.53 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.07 1xlp s ALA 62 CO 0.46 -2.58 1.37 0.00 0.00 0.00 0.00 175.76 175.01 1xlp s ALA 63 N -2.57 3.15 0.80 0.00 0.00 -1.26 -5.03 121.76 116.85 1xlp s ALA 63 Ca 0.68 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.95 1xlp s ALA 63 Cb -0.23 -3.55 0.16 0.00 0.00 0.00 0.00 23.12 19.50 1xlp s ALA 63 CO 0.56 -1.11 1.10 0.54 0.00 0.00 0.00 175.76 176.85 1xlp s ASN 64 N -0.69 3.88 0.25 0.00 2.20 -1.26 -4.81 114.94 114.52 1xlp s ASN 64 Ca 0.62 -0.30 -0.03 0.00 -0.94 0.00 0.00 52.86 52.21 1xlp s ASN 64 Cb -0.41 0.09 0.50 0.00 -2.00 0.00 0.00 41.25 39.43 1xlp s ASN 64 CO 0.52 -2.19 1.73 -0.08 -2.94 0.00 0.00 177.10 174.14 1xlp h GLU 65 N -0.88 0.47 -0.42 3.55 4.81 -2.00 -1.58 114.58 118.52 1xlp h GLU 65 Ca -0.37 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.70 1xlp h GLU 65 Cb 1.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1xlp h GLU 65 CO 0.37 0.31 -0.25 0.00 -0.73 0.00 0.00 179.01 178.70 1xlp h ARG 66 N 0.48 0.92 -0.36 1.92 3.08 -1.94 -2.74 114.38 115.75 1xlp h ARG 66 Ca 0.44 -0.42 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1xlp h ARG 66 Cb 0.67 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1xlp h ARG 66 CO -0.41 1.08 -0.01 1.49 -1.07 0.00 0.00 179.97 181.05 1xlp h GLU 67 N 0.74 0.64 -0.63 0.04 4.81 -1.70 -1.89 114.58 116.59 1xlp h GLU 67 Ca 0.09 -0.21 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1xlp h GLU 67 Cb 0.83 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 1xlp h GLU 67 CO 0.07 0.76 0.29 0.82 -0.73 0.00 0.00 179.01 180.22 1xlp h ILE 68 N 0.44 0.85 -0.21 2.32 1.08 -1.32 0.88 117.51 121.56 1xlp h ILE 68 Ca 0.10 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1xlp h ILE 68 Cb 0.48 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1xlp h ILE 68 CO 0.02 0.09 0.11 1.23 -0.69 0.00 0.00 178.15 178.92 1xlp h GLY 69 N 0.52 0.31 1.57 5.37 0.00 -1.26 -2.89 103.07 106.69 1xlp h GLY 69 Ca 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1xlp h GLY 69 CO -0.25 0.14 -0.11 -0.33 0.00 0.00 0.00 176.54 175.99 1xlp h MET 70 N 0.22 0.52 0.00 4.80 2.86 -0.84 -2.28 114.93 120.21 1xlp h MET 70 Ca 0.07 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xlp h MET 70 Cb 0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1xlp h MET 70 CO -0.01 0.63 -0.01 -0.07 1.06 0.00 0.00 176.91 178.51 1xlp h LEU 71 N 0.48 0.00 0.00 1.22 3.38 -0.64 -0.69 115.31 119.07 1xlp h LEU 71 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xlp h LEU 71 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xlp h LEU 71 CO 0.03 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 1xlp n GLU 72 N -3.13 0.11 -0.05 1.13 1.02 -0.86 -3.05 120.64 115.81 1xlp n GLU 72 Ca -0.02 0.14 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1xlp n GLU 72 Cb 0.15 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.11 1xlp n GLU 72 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xlp n SER 73 N -1.42 2.24 -4.75 1.62 3.41 -0.27 -5.05 113.62 109.41 1xlp n SER 73 Ca 0.06 -2.07 -0.39 0.00 -0.26 0.00 0.00 58.87 56.21 1xlp n SER 73 Cb 0.20 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1xlp n SER 73 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xlp n VAL 74 N -0.33 3.22 0.10 -3.33 0.24 -1.17 -4.91 118.33 112.15 1xlp n VAL 74 Ca 0.04 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.34 61.61 1xlp n VAL 74 Cb 0.32 -1.73 -0.13 0.00 -1.47 0.00 0.00 33.84 30.82 1xlp n VAL 74 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1xlp h THR 75 N 1.89 1.28 -4.25 3.34 2.02 -1.85 -3.46 112.91 111.89 1xlp h THR 75 Ca -0.51 -2.51 -0.47 0.00 0.77 0.00 0.00 66.41 63.69 1xlp h THR 75 Cb 1.29 2.76 0.12 0.00 -1.74 0.00 0.00 68.15 70.58 1xlp h THR 75 CO 0.59 0.76 0.31 0.00 0.37 0.00 0.00 175.52 177.55 1xlp s ALA 76 N -2.91 1.93 0.31 6.16 0.00 -1.26 -4.95 121.76 121.03 1xlp s ALA 76 Ca -0.09 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 1xlp s ALA 76 Cb 0.05 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 1xlp s ALA 76 CO 0.94 -2.09 1.38 -1.91 0.00 0.00 0.00 175.76 174.07 1xlp n GLU 77 N -3.65 2.23 -3.14 0.00 2.13 -1.26 -4.95 120.64 111.99 1xlp n GLU 77 Ca 0.07 0.78 -0.40 0.00 0.66 0.00 0.00 57.16 58.28 1xlp n GLU 77 Cb 0.58 -2.43 -0.06 0.00 0.27 0.00 0.00 31.44 29.81 1xlp n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1xlp s LEU 78 N -0.73 4.21 0.32 4.31 2.96 -1.26 -5.02 118.68 123.47 1xlp s LEU 78 Ca 0.60 0.90 0.10 0.00 -0.22 0.00 0.00 54.13 55.51 1xlp s LEU 78 Cb -0.57 -2.89 -0.06 0.00 0.50 0.00 0.00 46.19 43.17 1xlp s LEU 78 CO 0.57 -0.18 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.80 1xlp s LYS 79 N 1.40 1.89 0.57 1.98 1.02 -1.26 -5.01 119.74 120.34 1xlp s LYS 79 Ca 0.30 -1.82 0.26 0.00 0.02 0.00 0.00 55.97 54.74 1xlp s LYS 79 Cb -0.16 -1.81 1.68 0.00 -0.52 0.00 0.00 37.83 37.02 1xlp s LYS 79 CO 0.12 0.19 2.22 -1.35 -0.92 0.00 0.00 175.35 175.61 1xlp h PRO 80 N 2.01 0.00 -0.53 -1.68 0.11 -2.01 -1.58 132.00 128.32 1xlp h PRO 80 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xlp h PRO 80 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xlp h PRO 80 CO 0.66 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.72 1xlp n ASN 81 N -4.02 5.46 -4.76 -2.05 6.94 -1.26 -4.97 115.26 110.60 1xlp n ASN 81 Ca -0.03 -2.93 -0.40 0.00 -0.02 0.00 0.00 54.58 51.21 1xlp n ASN 81 Cb 0.10 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 36.82 1xlp n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1xlp s SER 82 N -0.96 7.18 0.02 0.53 0.01 -0.60 -0.79 113.70 119.10 1xlp s SER 82 Ca 0.53 2.22 -0.16 0.00 1.31 0.00 0.00 55.95 59.85 1xlp s SER 82 Cb 0.40 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 64.04 1xlp s SER 82 CO 0.15 -0.20 0.35 -0.13 0.41 0.00 0.00 173.24 173.83 1xlp s ARG 83 N -1.63 0.81 -0.51 12.44 1.81 -0.18 -4.91 118.95 126.78 1xlp s ARG 83 Ca 0.47 -0.34 -0.19 0.00 -1.72 0.00 0.00 55.73 53.94 1xlp s ARG 83 Cb -0.30 0.36 0.06 0.00 -0.45 0.00 0.00 34.95 34.62 1xlp s ARG 83 CO 0.38 -0.26 0.65 -0.51 -0.68 0.00 0.00 175.30 174.89 1xlp s LEU 84 N -1.80 4.90 0.00 2.53 1.43 -1.26 -1.11 118.68 123.36 1xlp s LEU 84 Ca -0.08 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1xlp s LEU 84 Cb -0.02 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1xlp s LEU 84 CO -0.00 -0.92 0.87 0.00 0.23 0.00 0.00 176.35 176.53 1xlp n GLN 87 N -1.94 0.63 -3.35 0.00 1.13 0.07 -4.77 117.38 109.15 1xlp n GLN 87 Ca 0.05 -0.43 -0.44 0.00 -1.94 0.00 0.00 57.00 54.24 1xlp n GLN 87 Cb 0.32 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 29.10 1xlp n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xlp s ILE 88 N -2.66 5.16 -0.20 5.09 1.01 -1.01 -5.00 121.20 123.59 1xlp s ILE 88 Ca 0.19 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 1xlp s ILE 88 Cb 0.18 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1xlp s ILE 88 CO 0.61 -0.55 0.53 -0.63 0.00 0.00 0.00 174.94 174.90 1xlp s ILE 89 N 1.88 5.09 0.36 2.92 -1.09 -1.26 -1.72 121.20 127.39 1xlp s ILE 89 Ca 0.07 0.99 -0.28 0.00 -2.23 0.00 0.00 60.65 59.20 1xlp s ILE 89 Cb -0.22 -3.86 -0.10 0.00 -1.58 0.00 0.00 42.46 36.71 1xlp s ILE 89 CO 0.09 0.17 1.34 -0.32 -1.23 0.00 0.00 174.94 174.99 1xlp s MET 90 N 1.65 4.19 0.07 2.79 1.75 0.18 -4.87 119.30 125.07 1xlp s MET 90 Ca 0.25 2.27 -0.11 0.00 -1.25 0.00 0.00 55.69 56.85 1xlp s MET 90 Cb -0.15 -2.96 0.01 0.00 2.84 0.00 0.00 34.83 34.56 1xlp s MET 90 CO 0.10 -0.35 0.24 0.95 -0.65 0.00 0.00 175.02 175.31 1xlp s THR 91 N -1.17 0.11 0.43 10.11 -4.23 -1.26 -1.94 115.64 117.69 1xlp s THR 91 Ca 0.52 -0.92 0.18 0.00 -1.18 0.00 0.00 61.69 60.29 1xlp s THR 91 Cb -0.41 -1.11 0.38 0.00 1.34 0.00 0.00 72.50 72.70 1xlp s THR 91 CO 0.54 -0.51 1.89 -0.65 -0.54 0.00 0.00 174.62 175.36 1xlp h PRO 92 N 3.02 0.36 0.00 3.99 0.11 -1.96 0.29 132.00 137.80 1xlp h PRO 92 Ca -0.33 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1xlp h PRO 92 Cb 1.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xlp h PRO 92 CO 0.51 0.24 -0.00 0.93 -0.21 0.00 0.00 178.00 179.46 1xlp h GLU 93 N 0.37 0.00 -0.59 1.05 3.07 -1.98 -0.72 114.58 115.78 1xlp h GLU 93 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1xlp h GLU 93 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1xlp h GLU 93 CO -0.13 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.76 1xlp n LEU 94 N -3.46 3.30 -4.66 1.33 4.77 0.09 -4.96 117.00 113.41 1xlp n LEU 94 Ca -0.03 -1.66 -0.49 0.00 -0.03 0.00 0.00 56.01 53.80 1xlp n LEU 94 Cb 0.08 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 1xlp n LEU 94 CO 0.24 0.72 1.20 -0.67 -1.33 0.00 0.00 177.39 177.55 1xlp n ASP 95 N 1.05 2.71 0.00 -1.43 -0.08 -0.28 -1.16 116.55 117.37 1xlp n ASP 95 Ca 0.19 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.54 1xlp n ASP 95 Cb 0.56 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.70 1xlp n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xlp n GLY 96 N 3.49 0.79 3.68 0.27 0.00 0.13 -4.89 105.19 108.66 1xlp n GLY 96 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1xlp n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xlp n ILE 97 N -2.00 1.80 -5.24 -0.61 3.06 -0.30 -4.70 119.36 111.37 1xlp n ILE 97 Ca 0.00 -0.45 -0.31 0.00 -2.50 0.00 0.00 62.75 59.49 1xlp n ILE 97 Cb 0.00 -1.49 -0.16 0.00 0.54 0.00 0.00 39.64 38.53 1xlp n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1xlp s VAL 98 N -0.90 2.01 -0.01 9.51 1.01 -1.26 -0.97 120.40 129.80 1xlp s VAL 98 Ca 0.58 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1xlp s VAL 98 Cb -0.60 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1xlp s VAL 98 CO 0.60 0.56 -0.06 0.68 0.00 0.00 0.00 175.10 176.88 1xlp s VAL 99 N -0.15 0.49 -0.14 2.92 -7.23 -0.37 -0.45 120.40 115.48 1xlp s VAL 99 Ca -0.04 -0.25 -0.10 0.00 -1.81 0.00 0.00 61.98 59.78 1xlp s VAL 99 Cb -0.14 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 1xlp s VAL 99 CO 0.04 0.14 0.18 -1.81 -0.31 0.00 0.00 175.10 173.34 1xlp s ASP 100 N -0.07 6.37 -0.24 4.85 1.01 0.03 -1.40 116.67 127.23 1xlp s ASP 100 Ca 0.01 0.44 -0.08 0.00 0.71 0.00 0.00 52.55 53.63 1xlp s ASP 100 Cb -0.03 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 1xlp s ASP 100 CO -0.00 0.28 0.10 -0.69 0.21 0.00 0.00 175.17 175.06 1xlp s VAL 101 N -0.35 4.65 0.40 -1.27 1.01 0.30 -0.27 120.40 124.87 1xlp s VAL 101 Ca 0.14 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1xlp s VAL 101 Cb -0.12 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1xlp s VAL 101 CO 0.03 0.35 1.34 -2.84 0.00 0.00 0.00 175.10 173.97 1xlp s PRO 102 N 1.37 4.00 0.00 2.72 0.02 -1.26 -2.95 135.00 138.90 1xlp s PRO 102 Ca 0.06 2.24 0.20 0.00 0.02 0.00 0.00 61.00 63.52 1xlp s PRO 102 Cb -0.15 -2.81 1.20 0.00 0.02 0.00 0.00 34.50 32.76 1xlp s PRO 102 CO 0.05 -0.49 1.77 -0.40 -0.33 0.00 0.00 177.00 177.60 1xlp n ASP 103 N 0.22 0.06 -3.97 2.53 5.75 -1.26 -4.65 116.55 115.22 1xlp n ASP 103 Ca 0.03 -1.38 -0.25 0.00 -0.01 0.00 0.00 54.79 53.18 1xlp n ASP 103 Cb 0.43 -0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.35 1xlp n ASP 103 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1xlp s ARG 104 N -1.99 1.59 0.04 0.11 0.52 -1.26 -4.99 118.95 112.96 1xlp s ARG 104 Ca 0.31 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1xlp s ARG 104 Cb 0.14 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 34.18 1xlp s ARG 104 CO 0.24 -0.08 0.00 1.04 0.02 0.00 0.00 175.30 176.52 1xlp n GLN 105 N 4.21 0.00 0.00 3.54 1.13 -1.26 -4.17 117.38 120.83 1xlp n GLN 105 Ca -0.20 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 54.88 1xlp n GLN 105 Cb 0.51 -0.39 0.07 0.00 0.11 0.00 0.00 30.24 30.54 1xlp n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53