#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 4.31 -0.06 1.43 2.20 -1.26 -0.01 119.74 126.35 1xlp s LYS 2 Ca 0.00 2.23 -0.03 0.00 -0.36 0.00 0.00 55.97 57.82 1xlp s LYS 2 Cb 0.00 -3.11 0.04 0.00 -1.51 0.00 0.00 37.83 33.24 1xlp s LYS 2 CO 0.00 -0.32 0.13 0.08 -0.36 0.00 0.00 175.35 174.88 1xlp s VAL 3 N -0.33 -0.05 -0.18 4.02 1.01 -0.30 -0.04 120.40 124.53 1xlp s VAL 3 Ca 0.56 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1xlp s VAL 3 Cb -0.40 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1xlp s VAL 3 CO 0.45 0.07 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 1xlp s VAL 4 N 1.09 2.33 -0.29 2.92 1.01 -0.49 -0.69 120.40 126.29 1xlp s VAL 4 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1xlp s VAL 4 Cb -0.11 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1xlp s VAL 4 CO -0.05 0.52 0.16 -0.31 0.00 0.00 0.00 175.10 175.41 1xlp s TYR 5 N 1.25 3.18 -0.32 5.22 1.51 0.30 -1.36 117.35 127.12 1xlp s TYR 5 Ca 0.03 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.68 1xlp s TYR 5 Cb -0.14 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 1xlp s TYR 5 CO -0.09 -0.33 0.37 0.08 -1.11 0.00 0.00 175.55 174.47 1xlp s VAL 6 N 1.68 5.16 1.29 0.71 1.01 -0.08 -0.34 120.40 129.83 1xlp s VAL 6 Ca 0.06 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 1xlp s VAL 6 Cb -0.16 -3.79 0.32 0.00 0.00 0.00 0.00 36.38 32.75 1xlp s VAL 6 CO 0.08 -0.02 1.01 -0.94 0.00 0.00 0.00 175.10 175.22 1xlp s SER 7 N 1.71 0.06 0.44 3.32 1.04 0.12 -0.76 113.70 119.64 1xlp s SER 7 Ca 0.13 0.94 0.29 0.00 0.48 0.00 0.00 55.95 57.79 1xlp s SER 7 Cb -0.16 -1.38 1.07 0.00 0.10 0.00 0.00 66.02 65.65 1xlp s SER 7 CO 0.11 -4.69 1.84 -0.74 0.98 0.00 0.00 173.24 170.75 1xlp h HIS 8 N -2.96 0.00 -0.36 5.02 2.76 -1.82 -2.47 115.15 115.32 1xlp h HIS 8 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1xlp h HIS 8 Cb 1.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.29 1xlp h HIS 8 CO -2.03 0.00 0.00 -0.40 -1.30 0.00 0.00 177.93 174.20 1xlp n ASP 9 N -2.82 3.05 0.00 3.26 3.85 -1.26 -4.93 116.55 117.69 1xlp n ASP 9 Ca 0.02 -1.94 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 1xlp n ASP 9 Cb 0.33 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1xlp n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xlp n GLY 10 N 1.42 0.55 3.69 6.12 0.00 -0.93 -5.05 105.19 111.00 1xlp n GLY 10 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.27 3.35 -0.18 2.61 2.01 -1.26 -4.68 115.64 115.23 1xlp s THR 11 Ca 0.00 0.79 -0.18 0.00 0.31 0.00 0.00 61.69 62.61 1xlp s THR 11 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1xlp s THR 11 CO 0.00 0.00 0.47 -0.13 -0.69 0.00 0.00 174.62 174.27 1xlp s ARG 12 N 2.43 4.23 -0.31 4.92 0.52 -1.26 0.15 118.95 129.64 1xlp s ARG 12 Ca 0.69 0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 56.25 1xlp s ARG 12 Cb -0.36 -3.52 0.06 0.00 0.52 0.00 0.00 34.95 31.65 1xlp s ARG 12 CO 0.29 -0.03 0.01 1.03 0.02 0.00 0.00 175.30 176.63 1xlp s ARG 13 N 1.25 2.32 -0.19 3.54 3.00 0.53 -4.95 118.95 124.46 1xlp s ARG 13 Ca 0.23 -1.36 -0.10 0.00 0.00 0.00 0.00 55.73 54.49 1xlp s ARG 13 Cb -0.15 -3.20 -0.05 0.00 0.00 0.00 0.00 34.95 31.55 1xlp s ARG 13 CO 0.09 -0.68 0.16 -2.00 0.00 0.00 0.00 175.30 172.87 1xlp s GLU 14 N 1.21 4.14 0.16 3.54 2.12 -1.26 -0.54 118.70 128.07 1xlp s GLU 14 Ca -0.03 -0.16 0.06 0.00 0.36 0.00 0.00 54.97 55.20 1xlp s GLU 14 Cb -0.20 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1xlp s GLU 14 CO -0.02 0.33 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.39 1xlp s LEU 15 N 0.25 2.51 -0.36 2.70 1.43 0.13 -4.98 118.68 120.36 1xlp s LEU 15 Ca 0.10 -0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 52.19 1xlp s LEU 15 Cb -0.11 -0.52 0.07 0.00 0.03 0.00 0.00 46.19 45.65 1xlp s LEU 15 CO -0.00 -0.22 0.12 -0.62 0.23 0.00 0.00 176.35 175.86 1xlp s ASP 16 N -3.03 5.23 -0.20 2.29 3.68 -1.26 -1.15 116.67 122.22 1xlp s ASP 16 Ca 0.17 -1.45 -0.09 0.00 2.13 0.00 0.00 52.55 53.31 1xlp s ASP 16 Cb -0.01 -1.83 -0.05 0.00 -1.45 0.00 0.00 42.92 39.59 1xlp s ASP 16 CO 0.03 -0.39 0.10 -0.69 0.13 0.00 0.00 175.17 174.35 1xlp s VAL 17 N 1.30 5.10 0.62 1.11 1.01 0.98 -4.66 120.40 125.85 1xlp s VAL 17 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1xlp s VAL 17 Cb -0.21 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1xlp s VAL 17 CO -0.00 0.43 1.11 0.00 0.00 0.00 0.00 175.10 176.64 1xlp s ALA 18 N 0.51 2.57 0.43 5.51 0.00 -1.26 -1.22 121.76 128.30 1xlp s ALA 18 Ca 0.06 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 1xlp s ALA 18 Cb -0.12 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1xlp s ALA 18 CO 0.00 -1.07 1.37 -0.25 0.00 0.00 0.00 175.76 175.82 1xlp n ASP 19 N -2.03 3.06 0.00 0.00 8.00 -1.26 -2.38 116.55 121.94 1xlp n ASP 19 Ca 0.11 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1xlp n ASP 19 Cb 0.52 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1xlp n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xlp n GLY 20 N 0.66 1.85 3.76 0.44 0.00 -0.92 -4.99 105.19 105.98 1xlp n GLY 20 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.39 5.16 0.54 1.61 1.01 -1.00 -4.81 120.40 120.52 1xlp s VAL 21 Ca 0.00 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 62.66 1xlp s VAL 21 Cb 0.00 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1xlp s VAL 21 CO 0.00 0.41 1.00 -0.94 0.00 0.00 0.00 175.10 175.57 1xlp s SER 22 N 0.08 6.50 0.57 3.32 1.04 -1.26 -1.04 113.70 122.90 1xlp s SER 22 Ca 0.23 1.57 0.32 0.00 0.48 0.00 0.00 55.95 58.55 1xlp s SER 22 Cb -0.15 -2.51 1.70 0.00 0.10 0.00 0.00 66.02 65.17 1xlp s SER 22 CO 0.10 -0.67 2.16 -0.07 0.98 0.00 0.00 173.24 175.73 1xlp h LEU 23 N 0.71 0.00 -0.04 2.42 3.38 -0.95 -1.47 115.31 119.36 1xlp h LEU 23 Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1xlp h LEU 23 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1xlp h LEU 23 CO 0.61 0.06 -0.14 -0.03 0.09 0.00 0.00 178.44 179.03 1xlp h MET 24 N 0.00 0.17 -0.32 1.13 4.05 -1.80 -2.13 114.93 116.03 1xlp h MET 24 Ca -0.00 -0.13 0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1xlp h MET 24 Cb 0.23 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 1xlp h MET 24 CO 0.01 0.76 0.13 1.96 0.23 0.00 0.00 176.91 180.00 1xlp h GLN 25 N -0.39 0.27 -0.57 0.39 4.20 -1.73 -0.69 115.11 116.60 1xlp h GLN 25 Ca -0.01 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1xlp h GLN 25 Cb 0.78 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1xlp h GLN 25 CO 0.03 0.18 0.37 0.00 -0.67 0.00 0.00 178.83 178.74 1xlp h ALA 26 N 1.19 0.72 0.75 3.87 0.00 -1.34 -0.77 119.26 123.68 1xlp h ALA 26 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xlp h ALA 26 Cb 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xlp h ALA 26 CO -0.13 0.14 -0.36 0.00 0.00 0.00 0.00 179.25 178.90 1xlp h ALA 27 N 1.22 -1.01 -0.84 0.00 0.00 -0.95 -2.65 119.26 115.02 1xlp h ALA 27 Ca 0.21 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xlp h ALA 27 Cb -0.07 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xlp h ALA 27 CO -0.06 -1.02 0.56 0.28 0.00 0.00 0.00 179.25 179.01 1xlp h VAL 28 N -1.10 1.20 0.00 0.00 2.07 -1.11 -0.46 116.25 116.85 1xlp h VAL 28 Ca -0.10 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1xlp h VAL 28 Cb 0.79 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1xlp h VAL 28 CO 0.17 0.20 0.00 0.77 0.02 0.00 0.00 177.57 178.73 1xlp h SER 29 N 1.12 0.00 -0.20 0.57 4.64 -1.13 -2.98 113.55 115.57 1xlp h SER 29 Ca 0.32 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 1xlp h SER 29 Cb -0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1xlp h SER 29 CO -0.08 0.00 -0.04 0.59 -0.87 0.00 0.00 176.83 176.43 1xlp n ASN 30 N -2.30 3.10 -0.21 4.97 3.02 -0.59 -4.98 115.26 118.26 1xlp n ASN 30 Ca 0.02 -3.23 -0.03 0.00 -0.03 0.00 0.00 54.58 51.31 1xlp n ASN 30 Cb 0.26 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.91 0.53 2.68 7.41 0.00 -1.05 -4.91 105.19 108.94 1xlp n GLY 31 Ca 0.22 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1xlp n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xlp n ILE 32 N -2.64 4.06 0.91 -0.61 5.41 -0.28 -4.75 119.36 121.46 1xlp n ILE 32 Ca -0.03 -3.51 0.05 0.00 1.00 0.00 0.00 62.75 60.27 1xlp n ILE 32 Cb 0.23 -2.48 0.31 0.00 -0.71 0.00 0.00 39.64 36.99 1xlp n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1xlp n TYR 33 N 4.53 0.00 1.85 1.39 0.53 -1.26 -2.32 117.16 121.87 1xlp n TYR 33 Ca 0.54 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.55 1xlp n TYR 33 Cb 0.34 0.00 0.78 0.00 -1.03 0.00 0.00 39.34 39.43 1xlp n TYR 33 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 1xlp n ASP 34 N -0.86 0.00 -4.15 7.72 5.75 -1.26 -4.29 116.55 119.46 1xlp n ASP 34 Ca 0.08 -1.03 -0.33 0.00 -0.01 0.00 0.00 54.79 53.50 1xlp n ASP 34 Cb 0.04 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.97 1xlp n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xlp s ILE 35 N -2.00 2.31 -0.15 2.12 1.01 -0.98 -4.80 121.20 118.71 1xlp s ILE 35 Ca 0.39 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 1xlp s ILE 35 Cb 0.18 -2.00 -0.09 0.00 0.01 0.00 0.00 42.46 40.56 1xlp s ILE 35 CO 0.30 0.51 0.05 0.58 0.00 0.00 0.00 174.94 176.38 1xlp h VAL 36 N 5.91 0.43 -3.63 2.92 2.07 -1.44 -3.44 116.25 119.08 1xlp h VAL 36 Ca -0.45 -1.46 -0.23 0.00 0.82 0.00 0.00 66.70 65.38 1xlp h VAL 36 Cb 1.14 0.94 0.07 0.00 -1.52 0.00 0.00 31.29 31.93 1xlp h VAL 36 CO 0.63 0.14 -0.39 0.61 0.02 0.00 0.00 177.57 178.59 1xlp n GLY 37 N 1.59 0.06 0.25 2.17 0.00 -1.15 -4.95 105.19 103.15 1xlp n GLY 37 Ca -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.43 0.39 0.57 1.61 -0.00 -1.95 -2.07 116.42 113.52 1xlp h ASP 38 Ca -0.33 0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 1xlp h ASP 38 Cb 1.22 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 1xlp h ASP 38 CO 0.33 0.24 0.00 0.00 -0.00 0.00 0.00 179.24 179.80 1xlp n GLY 40 N 0.24 0.67 0.00 0.00 0.00 -0.78 -4.35 105.19 100.98 1xlp n GLY 40 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.05 1.01 1.66 -0.02 0.00 -1.26 -5.00 105.19 99.53 1xlp n GLY 41 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 4.00 -3.82 1.61 3.41 -1.26 -4.86 113.62 112.70 1xlp n SER 42 Ca 0.00 -3.37 -0.25 0.00 -0.26 0.00 0.00 58.87 54.99 1xlp n SER 42 Cb 0.00 -0.70 0.02 0.00 -0.26 0.00 0.00 64.21 63.27 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 -0.58 -1.82 -1.50 7.33 0.00 -1.26 -4.89 120.51 117.79 1xlp n ALA 43 Ca 0.39 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.79 1xlp n ALA 43 Cb 1.27 -2.47 0.11 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.98 1.56 -1.89 0.00 3.41 -1.26 -4.61 113.62 107.85 1xlp n SER 44 Ca -0.21 -2.86 -0.05 0.00 -0.26 0.00 0.00 58.87 55.48 1xlp n SER 44 Cb 0.64 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.87 2.48 0.54 0.00 0.00 -1.26 -4.81 120.51 115.58 1xlp n ALA 46 Ca -0.07 -2.26 0.07 0.00 0.00 0.00 0.00 53.44 51.18 1xlp n ALA 46 Cb 0.28 -0.63 0.21 0.00 0.00 0.00 0.00 19.45 19.31 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 0.12 0.61 -1.50 0.00 -2.24 -1.26 -3.70 114.28 106.31 1xlp n THR 47 Ca 0.07 -0.61 0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1xlp n THR 47 Cb 0.99 0.31 0.20 0.00 -2.10 0.00 0.00 70.33 69.73 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 -3.19 2.94 0.11 0.00 5.04 -1.24 -1.19 115.29 117.76 1xlp s HIS 49 Ca 0.38 0.76 -0.09 0.00 -1.54 0.00 0.00 55.06 54.58 1xlp s HIS 49 Cb 0.36 -3.96 -0.00 0.00 0.04 0.00 0.00 32.58 29.02 1xlp s HIS 49 CO -0.04 -3.34 0.21 0.14 -2.34 0.00 0.00 174.74 169.37 1xlp s VAL 50 N 0.45 0.12 -0.38 0.89 -7.23 0.13 -4.30 120.40 110.09 1xlp s VAL 50 Ca 0.65 -1.24 -0.06 0.00 -1.81 0.00 0.00 61.98 59.52 1xlp s VAL 50 Cb -0.45 -1.48 0.07 0.00 0.56 0.00 0.00 36.38 35.08 1xlp s VAL 50 CO 0.40 -0.55 0.17 -0.31 -0.31 0.00 0.00 175.10 174.50 1xlp s TYR 51 N -3.89 3.36 0.16 2.82 4.12 -0.01 -0.75 117.35 123.15 1xlp s TYR 51 Ca 0.08 -1.72 -0.30 0.00 0.02 0.00 0.00 57.07 55.15 1xlp s TYR 51 Cb 0.04 -2.72 -0.08 0.00 -1.52 0.00 0.00 41.96 37.68 1xlp s TYR 51 CO -0.08 -0.84 1.30 0.08 0.02 0.00 0.00 175.55 176.03 1xlp s VAL 52 N 1.34 3.39 0.40 0.71 1.01 -0.39 -0.62 120.40 126.23 1xlp s VAL 52 Ca 0.02 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.84 1xlp s VAL 52 Cb -0.22 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1xlp s VAL 52 CO 0.01 0.14 1.00 -3.20 0.00 0.00 0.00 175.10 173.04 1xlp n ASN 53 N 3.08 1.22 0.31 3.32 2.85 0.16 -4.75 115.26 121.46 1xlp n ASN 53 Ca 0.07 1.06 0.19 0.00 -0.11 0.00 0.00 54.58 55.79 1xlp n ASN 53 Cb 0.43 -1.34 1.04 0.00 1.24 0.00 0.00 39.78 41.16 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 1.61 0.00 -0.02 1.20 3.07 -1.92 -1.49 114.58 117.03 1xlp h GLU 54 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1xlp h GLU 54 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1xlp h GLU 54 CO 0.57 0.01 0.00 0.00 -1.40 0.00 0.00 179.01 178.20 1xlp n ALA 55 N -2.17 2.60 -0.05 3.43 0.00 -1.26 -3.93 120.51 119.13 1xlp n ALA 55 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1xlp n ALA 55 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.13 0.00 -0.34 0.00 3.01 -0.59 -4.79 117.46 114.62 1xlp n PHE 56 Ca 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.66 1xlp n PHE 56 Cb 0.29 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.89 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 0.05 1.14 0.00 4.37 1.35 -1.60 -1.55 112.91 116.67 1xlp h THR 57 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1xlp h THR 57 Cb 0.02 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.33 1xlp h THR 57 CO 0.00 0.21 0.00 -0.90 -0.25 0.00 0.00 175.52 174.58 1xlp n ASP 58 N -4.50 0.00 0.02 5.36 3.85 -1.26 -2.78 116.55 117.23 1xlp n ASP 58 Ca 0.12 -0.75 0.11 0.00 -0.71 0.00 0.00 54.79 53.56 1xlp n ASP 58 Cb 0.10 -0.05 -0.11 0.00 -1.35 0.00 0.00 41.12 39.71 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 -1.05 0.59 -3.29 0.11 5.02 -0.59 -4.91 118.16 114.04 1xlp n LYS 59 Ca 0.20 -0.10 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 1xlp n LYS 59 Cb 0.12 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.44 5.06 0.23 -0.18 1.01 -1.12 -4.96 120.40 117.01 1xlp s VAL 60 Ca -0.05 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 1xlp s VAL 60 Cb 0.13 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 1xlp s VAL 60 CO 0.87 0.39 1.45 -2.65 0.00 0.00 0.00 175.10 175.17 1xlp n PRO 61 N 3.08 2.13 -1.25 2.72 -0.02 -1.26 -4.89 135.00 135.51 1xlp n PRO 61 Ca -0.08 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 1xlp n PRO 61 Cb 0.51 -2.45 0.10 0.00 -0.02 0.00 0.00 33.50 31.65 1xlp n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xlp n ALA 62 N 2.15 -0.21 -1.76 3.55 0.00 -1.26 -4.94 120.51 118.04 1xlp n ALA 62 Ca 0.12 -0.26 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1xlp n ALA 62 Cb 0.32 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.61 1xlp n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xlp s ALA 63 N -1.94 3.07 0.86 0.00 0.00 -1.26 -5.04 121.76 117.44 1xlp s ALA 63 Ca 0.73 1.20 -0.09 0.00 0.00 0.00 0.00 51.96 53.80 1xlp s ALA 63 Cb -0.32 -3.49 0.18 0.00 0.00 0.00 0.00 23.12 19.49 1xlp s ALA 63 CO 0.51 -0.96 1.18 0.54 0.00 0.00 0.00 175.76 177.03 1xlp s ASN 64 N -0.94 3.61 0.25 0.00 2.20 -1.26 -4.81 114.94 113.99 1xlp s ASN 64 Ca 0.63 -0.10 -0.04 0.00 -0.94 0.00 0.00 52.86 52.41 1xlp s ASN 64 Cb -0.37 -0.05 0.43 0.00 -2.00 0.00 0.00 41.25 39.26 1xlp s ASN 64 CO 0.45 -2.38 1.80 -0.08 -2.94 0.00 0.00 177.10 173.95 1xlp h GLU 65 N -1.15 0.72 -0.29 3.55 4.81 -2.00 -1.68 114.58 118.54 1xlp h GLU 65 Ca -0.40 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1xlp h GLU 65 Cb 1.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1xlp h GLU 65 CO 0.37 0.47 0.16 0.00 -0.73 0.00 0.00 179.01 179.28 1xlp h ARG 66 N 0.74 0.41 -0.08 1.92 3.08 -1.93 -2.00 114.38 116.51 1xlp h ARG 66 Ca 0.41 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1xlp h ARG 66 Cb 0.44 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1xlp h ARG 66 CO -0.28 0.36 0.04 1.49 -1.07 0.00 0.00 179.97 180.52 1xlp h GLU 67 N 0.35 0.11 -0.54 0.04 4.81 -1.70 -1.59 114.58 116.06 1xlp h GLU 67 Ca 0.10 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 1xlp h GLU 67 Cb 0.08 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 1xlp h GLU 67 CO -0.02 0.19 -0.01 0.82 -0.73 0.00 0.00 179.01 179.26 1xlp h ILE 68 N 0.01 0.55 -0.11 2.32 1.08 -1.23 0.23 117.51 120.37 1xlp h ILE 68 Ca 0.03 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1xlp h ILE 68 Cb 0.11 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1xlp h ILE 68 CO -0.00 0.02 0.03 1.23 -0.69 0.00 0.00 178.15 178.73 1xlp h GLY 69 N 0.11 0.13 1.33 5.37 0.00 -1.09 -3.09 103.07 105.83 1xlp h GLY 69 Ca 0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 1xlp h GLY 69 CO -0.47 0.01 -0.13 -0.33 0.00 0.00 0.00 176.54 175.62 1xlp h MET 70 N 0.08 0.78 -0.01 4.80 2.86 -0.35 -2.87 114.93 120.21 1xlp h MET 70 Ca 0.05 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1xlp h MET 70 Cb 0.04 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1xlp h MET 70 CO -0.06 0.88 0.15 -0.07 1.06 0.00 0.00 176.91 178.86 1xlp h LEU 71 N 0.70 0.00 -1.70 1.22 3.38 -0.49 0.42 115.31 118.84 1xlp h LEU 71 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xlp h LEU 71 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xlp h LEU 71 CO 0.04 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.49 1xlp h GLU 72 N 0.00 0.00 -0.47 1.13 4.57 -1.54 -2.89 114.58 115.38 1xlp h GLU 72 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xlp h GLU 72 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1xlp h GLU 72 CO -0.00 0.00 0.00 0.43 -1.18 0.00 0.00 179.01 178.26 1xlp n SER 73 N -3.00 3.60 -4.73 1.04 7.64 0.15 -4.99 113.62 113.32 1xlp n SER 73 Ca -0.00 -2.00 -0.42 0.00 1.01 0.00 0.00 58.87 57.46 1xlp n SER 73 Cb 0.25 -0.31 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1xlp n SER 73 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1xlp n VAL 74 N 1.54 1.85 0.09 0.44 0.24 -1.09 -4.88 118.33 116.52 1xlp n VAL 74 Ca 0.21 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.89 1xlp n VAL 74 Cb 0.61 -1.76 -0.14 0.00 -1.47 0.00 0.00 33.84 31.08 1xlp n VAL 74 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1xlp h THR 75 N 2.81 1.42 -4.53 3.34 1.35 -1.85 -3.46 112.91 111.99 1xlp h THR 75 Ca -0.48 -3.02 -0.48 0.00 -0.55 0.00 0.00 66.41 61.88 1xlp h THR 75 Cb 1.26 2.88 0.09 0.00 -1.73 0.00 0.00 68.15 70.65 1xlp h THR 75 CO 0.65 0.87 0.41 0.00 -0.25 0.00 0.00 175.52 177.21 1xlp s ALA 76 N -2.65 2.80 0.20 6.62 0.00 -1.26 -4.96 121.76 122.51 1xlp s ALA 76 Ca -0.05 -0.46 -0.32 0.00 0.00 0.00 0.00 51.96 51.12 1xlp s ALA 76 Cb 0.07 -3.00 -0.13 0.00 0.00 0.00 0.00 23.12 20.06 1xlp s ALA 76 CO 0.87 -1.36 1.63 -1.91 0.00 0.00 0.00 175.76 174.99 1xlp n GLU 77 N -3.13 2.46 -2.66 0.00 2.13 -1.26 -4.95 120.64 113.22 1xlp n GLU 77 Ca 0.07 0.89 -0.42 0.00 0.66 0.00 0.00 57.16 58.36 1xlp n GLU 77 Cb 0.59 -2.68 -0.03 0.00 0.27 0.00 0.00 31.44 29.59 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 0.78 4.32 0.25 4.31 2.96 -1.26 -5.03 118.68 125.02 1xlp s LEU 78 Ca 0.75 1.65 0.10 0.00 -0.22 0.00 0.00 54.13 56.41 1xlp s LEU 78 Cb -0.58 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.49 1xlp s LEU 78 CO 0.38 -0.36 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.33 1xlp s LYS 79 N 1.45 1.54 0.55 1.98 1.02 -1.26 -5.02 119.74 120.00 1xlp s LYS 79 Ca 0.51 -1.71 0.28 0.00 0.02 0.00 0.00 55.97 55.08 1xlp s LYS 79 Cb -0.21 -1.49 1.46 0.00 -0.52 0.00 0.00 37.83 37.06 1xlp s LYS 79 CO 0.24 0.26 1.95 -1.35 -0.92 0.00 0.00 175.35 175.53 1xlp h PRO 80 N 2.38 0.00 -0.64 -1.68 0.11 -2.01 -0.19 132.00 129.97 1xlp h PRO 80 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1xlp h PRO 80 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xlp h PRO 80 CO 0.61 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 1xlp n ASN 81 N -4.13 5.08 -4.77 -2.05 6.94 -1.26 -4.98 115.26 110.09 1xlp n ASN 81 Ca 0.11 -2.58 -0.40 0.00 -0.02 0.00 0.00 54.58 51.69 1xlp n ASN 81 Cb 0.71 -0.61 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 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 -0.88 6.77 0.06 0.53 0.01 -0.08 -1.27 113.70 118.84 1xlp s SER 82 Ca 0.53 2.50 -0.17 0.00 1.31 0.00 0.00 55.95 60.12 1xlp s SER 82 Cb 0.36 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.99 1xlp s SER 82 CO 0.23 -0.52 0.39 -0.13 0.41 0.00 0.00 173.24 173.62 1xlp s ARG 83 N -1.89 0.92 -0.53 12.44 1.81 0.07 -4.91 118.95 126.86 1xlp s ARG 83 Ca 0.51 -0.45 -0.17 0.00 -1.72 0.00 0.00 55.73 53.90 1xlp s ARG 83 Cb -0.35 0.41 0.09 0.00 -0.45 0.00 0.00 34.95 34.64 1xlp s ARG 83 CO 0.46 -0.32 0.55 -0.51 -0.68 0.00 0.00 175.30 174.81 1xlp s LEU 84 N -2.14 5.52 0.00 2.53 1.43 -1.26 -0.69 118.68 124.06 1xlp s LEU 84 Ca -0.04 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1xlp s LEU 84 Cb -0.00 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1xlp s LEU 84 CO -0.04 -0.87 0.85 0.00 0.23 0.00 0.00 176.35 176.52 1xlp n GLN 87 N -1.92 0.28 -3.20 0.00 1.13 0.31 -4.75 117.38 109.23 1xlp n GLN 87 Ca 0.05 -0.18 -0.44 0.00 -1.94 0.00 0.00 57.00 54.49 1xlp n GLN 87 Cb 0.33 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.12 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 -2.84 4.95 -0.18 5.09 1.01 -0.97 -4.99 121.20 123.27 1xlp s ILE 88 Ca 0.14 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1xlp s ILE 88 Cb 0.18 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1xlp s ILE 88 CO 0.67 -0.81 0.54 -0.63 0.00 0.00 0.00 174.94 174.71 1xlp s ILE 89 N 2.40 5.10 0.29 2.92 -1.09 -1.26 -1.14 121.20 128.43 1xlp s ILE 89 Ca 0.12 1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 59.26 1xlp s ILE 89 Cb -0.21 -3.86 -0.10 0.00 -1.58 0.00 0.00 42.46 36.70 1xlp s ILE 89 CO 0.10 0.19 1.36 -0.32 -1.23 0.00 0.00 174.94 175.04 1xlp s MET 90 N 1.48 4.32 0.11 2.79 1.75 -0.21 -4.88 119.30 124.66 1xlp s MET 90 Ca 0.26 2.25 -0.06 0.00 -1.25 0.00 0.00 55.69 56.89 1xlp s MET 90 Cb -0.15 -3.09 -0.02 0.00 2.84 0.00 0.00 34.83 34.40 1xlp s MET 90 CO 0.10 -0.29 0.15 0.95 -0.65 0.00 0.00 175.02 175.28 1xlp s THR 91 N -0.61 0.13 0.31 10.11 -4.23 -1.26 -2.18 115.64 117.91 1xlp s THR 91 Ca 0.54 -1.52 0.38 0.00 -1.18 0.00 0.00 61.69 59.90 1xlp s THR 91 Cb -0.40 -1.68 0.40 0.00 1.34 0.00 0.00 72.50 72.16 1xlp s THR 91 CO 0.48 -0.57 2.13 1.55 -0.54 0.00 0.00 174.62 177.68 1xlp h PRO 92 N 2.79 0.00 0.00 3.99 0.13 -1.96 -1.70 132.00 135.25 1xlp h PRO 92 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xlp h PRO 92 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xlp h PRO 92 CO 0.56 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.26 1xlp h GLU 93 N 0.00 0.00 -0.13 0.86 3.07 -1.99 -2.72 114.58 113.67 1xlp h GLU 93 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xlp h GLU 93 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1xlp h GLU 93 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1xlp n LEU 94 N -3.07 2.35 -4.64 1.33 4.77 -0.64 -4.97 117.00 112.14 1xlp n LEU 94 Ca 0.02 -0.88 -0.53 0.00 -0.03 0.00 0.00 56.01 54.58 1xlp n LEU 94 Cb 0.37 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1xlp n LEU 94 CO 0.29 0.44 1.09 -0.67 -1.33 0.00 0.00 177.39 177.20 1xlp n ASP 95 N 0.80 2.06 0.00 -1.43 -0.08 -1.03 -0.91 116.55 115.96 1xlp n ASP 95 Ca 0.17 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 1xlp n ASP 95 Cb 0.47 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.73 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 3.21 0.68 3.72 0.27 0.00 0.94 -4.89 105.19 109.12 1xlp n GLY 96 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 2.20 -5.09 -0.61 3.06 -0.08 -4.75 119.36 112.09 1xlp n ILE 97 Ca 0.00 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.45 1xlp n ILE 97 Cb 0.00 -1.65 -0.17 0.00 0.54 0.00 0.00 39.64 38.36 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 -1.13 1.85 -0.02 9.51 1.01 -1.26 -1.39 120.40 128.96 1xlp s VAL 98 Ca 0.57 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1xlp s VAL 98 Cb -0.53 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1xlp s VAL 98 CO 0.61 0.51 -0.16 0.68 0.00 0.00 0.00 175.10 176.75 1xlp s VAL 99 N 0.29 1.28 -0.22 2.92 -7.23 -0.46 -0.67 120.40 116.32 1xlp s VAL 99 Ca -0.15 -0.67 -0.10 0.00 -1.81 0.00 0.00 61.98 59.25 1xlp s VAL 99 Cb -0.16 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1xlp s VAL 99 CO 0.07 0.37 0.15 -1.81 -0.31 0.00 0.00 175.10 173.56 1xlp s ASP 100 N -0.23 6.18 -0.12 4.85 1.01 0.21 -0.90 116.67 127.67 1xlp s ASP 100 Ca 0.03 0.19 -0.22 0.00 0.71 0.00 0.00 52.55 53.26 1xlp s ASP 100 Cb -0.08 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 1xlp s ASP 100 CO 0.00 0.13 0.66 -0.69 0.21 0.00 0.00 175.17 175.48 1xlp s VAL 101 N 0.64 5.05 1.28 -1.27 1.01 0.06 -0.83 120.40 126.34 1xlp s VAL 101 Ca 0.08 1.31 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 1xlp s VAL 101 Cb -0.12 -3.99 0.33 0.00 0.00 0.00 0.00 36.38 32.60 1xlp s VAL 101 CO 0.01 0.20 0.98 -2.84 0.00 0.00 0.00 175.10 173.45 1xlp s PRO 102 N 1.21 -1.86 0.35 2.72 0.02 -1.26 -3.58 135.00 132.60 1xlp s PRO 102 Ca 0.33 0.62 0.19 0.00 0.02 0.00 0.00 61.00 62.17 1xlp s PRO 102 Cb -0.17 -1.46 0.20 0.00 0.02 0.00 0.00 34.50 33.09 1xlp s PRO 102 CO 0.14 -4.29 1.51 0.38 -0.33 0.00 0.00 177.00 174.41 1xlp h ASP 103 N -3.02 0.00 -5.07 2.53 -0.00 -1.96 -3.43 116.42 105.47 1xlp h ASP 103 Ca -0.57 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.34 1xlp h ASP 103 Cb 1.34 0.00 -0.17 0.00 -0.00 0.00 0.00 39.33 40.50 1xlp h ASP 103 CO 0.43 0.24 -0.43 0.00 -0.00 0.00 0.00 179.24 179.48 1xlp s ARG 104 N -3.10 0.66 -0.01 4.15 1.70 -1.26 -5.04 118.95 116.05 1xlp s ARG 104 Ca 0.05 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 1xlp s ARG 104 Cb 0.06 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1xlp s ARG 104 CO 0.71 -0.18 -0.01 1.04 -1.08 0.00 0.00 175.30 175.78 1xlp n GLN 105 N 0.71 1.39 0.00 3.89 1.13 -1.26 -4.20 117.38 119.04 1xlp n GLN 105 Ca -0.19 0.01 0.14 0.00 -1.94 0.00 0.00 57.00 55.01 1xlp n GLN 105 Cb 0.59 -1.03 0.47 0.00 0.11 0.00 0.00 30.24 30.38 1xlp n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53