#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 -0.02 1.43 -0.14 -1.26 0.44 119.74 124.62 1xlp s LYS 2 Ca 0.00 1.05 -0.01 0.00 -1.36 0.00 0.00 55.97 55.65 1xlp s LYS 2 Cb 0.00 -3.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.15 1xlp s LYS 2 CO 0.00 0.45 0.03 0.08 -0.76 0.00 0.00 175.35 175.15 1xlp s VAL 3 N -1.39 -0.02 -0.22 3.17 1.01 -0.63 -0.27 120.40 122.05 1xlp s VAL 3 Ca 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1xlp s VAL 3 Cb -0.19 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1xlp s VAL 3 CO 0.23 0.03 -0.11 -0.69 0.00 0.00 0.00 175.10 174.56 1xlp s VAL 4 N 0.42 2.64 -0.40 2.92 1.01 -0.52 -0.95 120.40 125.53 1xlp s VAL 4 Ca -0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1xlp s VAL 4 Cb -0.05 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1xlp s VAL 4 CO -0.01 0.37 0.28 -0.31 0.00 0.00 0.00 175.10 175.43 1xlp s TYR 5 N 1.34 3.24 -0.45 5.22 1.51 0.79 -1.33 117.35 127.66 1xlp s TYR 5 Ca 0.03 -0.67 -0.19 0.00 -1.01 0.00 0.00 57.07 55.24 1xlp s TYR 5 Cb -0.15 -2.57 0.03 0.00 -0.11 0.00 0.00 41.96 39.16 1xlp s TYR 5 CO -0.07 -0.61 0.53 0.08 -1.11 0.00 0.00 175.55 174.37 1xlp s VAL 6 N 1.66 4.97 0.84 0.71 1.01 -0.14 -0.98 120.40 128.46 1xlp s VAL 6 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1xlp s VAL 6 Cb -0.19 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.14 1xlp s VAL 6 CO 0.09 -0.57 1.16 -0.94 0.00 0.00 0.00 175.10 174.85 1xlp s SER 7 N 2.11 3.51 0.61 3.32 1.04 -0.06 -1.02 113.70 123.20 1xlp s SER 7 Ca 0.15 2.21 0.28 0.00 0.48 0.00 0.00 55.95 59.08 1xlp s SER 7 Cb -0.17 -2.57 1.47 0.00 0.10 0.00 0.00 66.02 64.85 1xlp s SER 7 CO 0.14 -2.72 1.87 -0.74 0.98 0.00 0.00 173.24 172.77 1xlp h HIS 8 N -1.27 0.00 -0.50 5.02 2.76 -1.68 0.87 115.15 120.35 1xlp h HIS 8 Ca -0.45 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1xlp h HIS 8 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1xlp h HIS 8 CO 0.50 0.00 0.00 -0.40 -1.30 0.00 0.00 177.93 176.73 1xlp n ASP 9 N -3.43 4.23 0.00 3.26 5.75 -1.26 -4.92 116.55 120.18 1xlp n ASP 9 Ca 0.05 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1xlp n ASP 9 Cb 0.61 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1xlp n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xlp n GLY 10 N 0.80 1.11 3.68 6.12 0.00 0.30 -5.05 105.19 112.16 1xlp n GLY 10 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.28 3.21 -0.34 2.61 2.01 -1.25 -4.75 115.64 114.85 1xlp s THR 11 Ca 0.00 0.55 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 1xlp s THR 11 Cb 0.00 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 1xlp s THR 11 CO 0.00 -0.02 0.51 -0.13 -0.69 0.00 0.00 174.62 174.30 1xlp s ARG 12 N 3.07 3.65 -0.29 4.92 0.52 -1.26 -0.88 118.95 128.68 1xlp s ARG 12 Ca 0.74 -0.13 -0.04 0.00 -0.52 0.00 0.00 55.73 55.78 1xlp s ARG 12 Cb -0.38 -3.80 0.03 0.00 0.52 0.00 0.00 34.95 31.32 1xlp s ARG 12 CO 0.32 -0.62 0.02 1.03 0.02 0.00 0.00 175.30 176.06 1xlp s ARG 13 N 2.39 2.79 -0.08 3.54 0.52 -0.16 -4.95 118.95 123.00 1xlp s ARG 13 Ca 0.19 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 1xlp s ARG 13 Cb -0.15 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 1xlp s ARG 13 CO 0.13 -0.50 0.30 -2.00 0.02 0.00 0.00 175.30 173.25 1xlp s GLU 14 N 1.37 3.88 0.05 3.54 2.12 -1.26 -0.15 118.70 128.25 1xlp s GLU 14 Ca -0.01 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.52 1xlp s GLU 14 Cb -0.18 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1xlp s GLU 14 CO -0.01 0.58 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.68 1xlp s LEU 15 N -0.60 2.25 -0.36 2.70 1.43 -0.12 -4.99 118.68 119.00 1xlp s LEU 15 Ca 0.19 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 1xlp s LEU 15 Cb -0.14 -0.32 -0.00 0.00 0.03 0.00 0.00 46.19 45.75 1xlp s LEU 15 CO 0.08 -0.13 0.30 -0.62 0.23 0.00 0.00 176.35 176.21 1xlp s ASP 16 N -1.57 6.11 -0.19 2.29 -1.08 -1.26 -1.60 116.67 119.37 1xlp s ASP 16 Ca -0.06 -0.49 -0.06 0.00 -0.52 0.00 0.00 52.55 51.42 1xlp s ASP 16 Cb -0.10 -2.17 -0.03 0.00 -1.46 0.00 0.00 42.92 39.17 1xlp s ASP 16 CO 0.01 -0.34 0.02 -0.69 0.52 0.00 0.00 175.17 174.69 1xlp s VAL 17 N 1.83 4.23 0.53 1.11 1.01 0.17 -4.81 120.40 124.46 1xlp s VAL 17 Ca 0.08 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1xlp s VAL 17 Cb -0.17 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 1xlp s VAL 17 CO 0.11 0.44 1.13 0.00 0.00 0.00 0.00 175.10 176.77 1xlp s ALA 18 N 0.78 2.75 0.60 5.51 0.00 -1.26 -1.15 121.76 128.99 1xlp s ALA 18 Ca 0.01 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 1xlp s ALA 18 Cb -0.14 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1xlp s ALA 18 CO 0.02 -0.71 0.71 -0.25 0.00 0.00 0.00 175.76 175.53 1xlp n ASP 19 N -1.15 -0.30 0.00 0.00 8.00 -1.26 -2.20 116.55 119.64 1xlp n ASP 19 Ca 0.11 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.35 1xlp n ASP 19 Cb 0.51 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 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 1.56 0.72 3.82 0.44 0.00 0.07 -4.95 105.19 106.85 1xlp n GLY 20 Ca 0.13 0.00 -0.36 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 -2.95 5.46 0.55 1.61 1.01 -0.93 -4.82 120.40 120.32 1xlp s VAL 21 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1xlp s VAL 21 Cb 0.00 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1xlp s VAL 21 CO 0.00 0.55 1.01 -0.94 0.00 0.00 0.00 175.10 175.72 1xlp s SER 22 N -0.46 6.33 0.36 3.32 1.04 -1.26 -1.15 113.70 121.89 1xlp s SER 22 Ca 0.12 1.63 0.05 0.00 0.48 0.00 0.00 55.95 58.23 1xlp s SER 22 Cb -0.12 -2.51 0.69 0.00 0.10 0.00 0.00 66.02 64.18 1xlp s SER 22 CO 0.02 -0.79 1.95 -0.07 0.98 0.00 0.00 173.24 175.33 1xlp h LEU 23 N 0.65 0.50 0.21 2.42 3.38 -1.25 -2.11 115.31 119.12 1xlp h LEU 23 Ca -0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1xlp h LEU 23 Cb 1.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xlp h LEU 23 CO 0.60 0.49 -0.10 -0.03 0.09 0.00 0.00 178.44 179.49 1xlp h MET 24 N 0.55 -0.27 -0.40 1.13 4.05 -1.81 -0.78 114.93 117.40 1xlp h MET 24 Ca 0.13 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.63 1xlp h MET 24 Cb 0.17 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 1xlp h MET 24 CO -0.01 -0.06 0.08 0.37 0.23 0.00 0.00 176.91 177.53 1xlp h GLN 25 N -0.45 0.21 -0.80 0.39 4.15 -1.82 -0.51 115.11 116.28 1xlp h GLN 25 Ca -0.03 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1xlp h GLN 25 Cb 0.34 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1xlp h GLN 25 CO 0.05 0.14 0.38 0.00 -1.93 0.00 0.00 178.83 177.47 1xlp h ALA 26 N 1.30 1.03 0.87 3.38 0.00 -1.35 -2.47 119.26 122.02 1xlp h ALA 26 Ca 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xlp h ALA 26 Cb 0.23 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xlp h ALA 26 CO -0.25 0.59 -0.42 0.00 0.00 0.00 0.00 179.25 179.17 1xlp h ALA 27 N 1.20 -1.18 0.00 0.00 0.00 -0.17 -2.60 119.26 116.51 1xlp h ALA 27 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xlp h ALA 27 Cb 0.12 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xlp h ALA 27 CO -0.03 -1.16 0.00 1.33 0.00 0.00 0.00 179.25 179.38 1xlp n VAL 28 N -5.60 0.93 0.44 0.00 0.24 -0.29 -1.49 118.33 112.56 1xlp n VAL 28 Ca -0.16 0.27 0.11 0.00 -2.04 0.00 0.00 64.34 62.52 1xlp n VAL 28 Cb 0.47 -1.14 0.17 0.00 -1.47 0.00 0.00 33.84 31.86 1xlp n VAL 28 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xlp n SER 29 N -1.97 3.17 -2.16 -1.34 3.41 -0.93 -4.40 113.62 109.38 1xlp n SER 29 Ca 0.02 -1.94 -0.05 0.00 -0.26 0.00 0.00 58.87 56.65 1xlp n SER 29 Cb 0.19 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1xlp n SER 29 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xlp n ASN 30 N 1.31 2.36 0.00 4.04 3.02 -0.93 -5.00 115.26 120.06 1xlp n ASN 30 Ca 0.16 -2.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 1xlp n ASN 30 Cb 0.56 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.49 0.35 3.29 7.41 0.00 -1.22 -4.92 105.19 109.61 1xlp n GLY 31 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.47 3.66 0.28 -0.61 2.08 -0.56 -4.78 119.36 116.97 1xlp n ILE 32 Ca 0.00 -3.61 0.17 0.00 0.56 0.00 0.00 62.75 59.86 1xlp n ILE 32 Cb 0.17 -2.43 0.93 0.00 -0.75 0.00 0.00 39.64 37.56 1xlp n ILE 32 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1xlp h TYR 33 N 7.14 0.00 0.00 1.39 -0.00 -1.91 -2.73 116.97 120.86 1xlp h TYR 33 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.21 1xlp h TYR 33 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.52 1xlp h TYR 33 CO 1.43 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 179.19 1xlp n ASP 34 N -3.71 0.00 -4.05 0.10 5.75 -1.26 -4.51 116.55 108.87 1xlp n ASP 34 Ca -0.02 -1.23 -0.29 0.00 -0.01 0.00 0.00 54.79 53.24 1xlp n ASP 34 Cb 0.15 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.08 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 1.57 -0.21 2.12 1.01 -1.03 -4.74 121.20 117.92 1xlp s ILE 35 Ca 0.19 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 1xlp s ILE 35 Cb 0.09 -1.44 -0.16 0.00 0.01 0.00 0.00 42.46 40.96 1xlp s ILE 35 CO 0.14 0.46 0.05 0.52 0.00 0.00 0.00 174.94 176.11 1xlp n VAL 36 N 4.38 1.52 -3.17 2.92 0.31 -0.24 -4.67 118.33 119.38 1xlp n VAL 36 Ca -0.18 -0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 63.90 1xlp n VAL 36 Cb 0.51 -2.06 0.05 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.42 -0.25 0.22 2.92 0.00 -0.88 -4.94 105.19 103.68 1xlp n GLY 37 Ca -0.33 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.75 -0.34 0.59 1.61 -0.00 -1.95 -1.80 116.42 112.77 1xlp h ASP 38 Ca -0.44 0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 1xlp h ASP 38 Cb 1.29 0.28 0.00 0.00 -0.00 0.00 0.00 39.33 40.91 1xlp h ASP 38 CO 0.45 -0.13 0.00 0.00 -0.00 0.00 0.00 179.24 179.56 1xlp n GLY 40 N 0.23 0.75 0.00 0.00 0.00 -0.68 -4.41 105.19 101.08 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 -2.35 1.98 0.67 -0.02 0.00 -1.26 -5.02 105.19 99.19 1xlp n GLY 41 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 3.24 -3.78 1.61 3.41 -1.26 -4.89 113.62 111.95 1xlp n SER 42 Ca 0.00 -3.14 -0.27 0.00 -0.26 0.00 0.00 58.87 55.20 1xlp n SER 42 Cb 0.00 -0.52 0.05 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 -0.86 -1.37 0.13 7.33 0.00 -1.26 -4.88 120.51 119.59 1xlp n ALA 43 Ca 0.21 0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.93 1xlp n ALA 43 Cb 0.83 -4.56 0.09 0.00 0.00 0.00 0.00 19.45 15.80 1xlp n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xlp n SER 44 N -2.92 2.33 -2.68 0.00 7.64 -1.26 -4.68 113.62 112.06 1xlp n SER 44 Ca -0.01 -1.71 -0.13 0.00 1.01 0.00 0.00 58.87 58.04 1xlp n SER 44 Cb 0.55 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1xlp n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xlp n ALA 46 N -1.10 2.56 0.45 0.00 0.00 -1.26 -4.81 120.51 116.35 1xlp n ALA 46 Ca -0.11 -2.46 0.05 0.00 0.00 0.00 0.00 53.44 50.92 1xlp n ALA 46 Cb 0.49 -0.43 0.19 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.91 0.90 -1.90 0.00 -2.24 -1.26 -3.74 114.28 105.12 1xlp n THR 47 Ca 0.13 -0.61 0.05 0.00 -2.27 0.00 0.00 64.05 61.35 1xlp n THR 47 Cb 0.71 0.01 0.14 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.14 3.06 0.12 0.00 5.04 -1.25 -1.08 115.29 119.06 1xlp s HIS 49 Ca 0.36 1.01 -0.12 0.00 -1.54 0.00 0.00 55.06 54.78 1xlp s HIS 49 Cb 0.37 -3.79 0.01 0.00 0.04 0.00 0.00 32.58 29.21 1xlp s HIS 49 CO -0.10 -2.61 0.31 0.14 -2.34 0.00 0.00 174.74 170.14 1xlp s VAL 50 N 0.15 0.09 -0.33 0.89 -7.23 -0.32 -4.40 120.40 109.26 1xlp s VAL 50 Ca 0.60 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.74 1xlp s VAL 50 Cb -0.41 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.17 1xlp s VAL 50 CO 0.41 -0.42 0.11 -0.31 -0.31 0.00 0.00 175.10 174.58 1xlp s TYR 51 N -3.86 3.21 -0.05 2.82 1.51 0.83 -0.89 117.35 120.91 1xlp s TYR 51 Ca 0.07 -1.14 -0.30 0.00 -1.01 0.00 0.00 57.07 54.69 1xlp s TYR 51 Cb 0.03 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1xlp s TYR 51 CO -0.09 -0.64 1.07 0.08 -1.11 0.00 0.00 175.55 174.85 1xlp s VAL 52 N 1.47 4.60 0.19 0.71 1.01 -0.39 -0.78 120.40 127.21 1xlp s VAL 52 Ca 0.01 1.88 -0.33 0.00 0.00 0.00 0.00 61.98 63.54 1xlp s VAL 52 Cb -0.18 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 1xlp s VAL 52 CO 0.03 0.05 1.62 -3.20 0.00 0.00 0.00 175.10 173.61 1xlp n ASN 53 N 4.66 3.42 0.00 3.32 2.85 -0.47 -4.74 115.26 124.30 1xlp n ASN 53 Ca 0.09 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 1xlp n ASN 53 Cb 0.48 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.02 1xlp n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xlp n GLU 54 N 3.50 0.00 0.00 1.20 -0.58 -1.26 -0.50 120.64 123.00 1xlp n GLU 54 Ca 0.16 0.29 0.13 0.00 -0.42 0.00 0.00 57.16 57.32 1xlp n GLU 54 Cb 0.31 -1.61 0.43 0.00 -0.57 0.00 0.00 31.44 30.00 1xlp n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xlp n ALA 55 N -1.26 2.97 0.00 0.62 0.00 -1.26 -4.02 120.51 117.56 1xlp n ALA 55 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1xlp n ALA 55 Cb 0.11 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.49 0.00 0.24 0.00 3.01 0.35 -4.73 117.46 114.84 1xlp n PHE 56 Ca 0.06 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.69 1xlp n PHE 56 Cb 0.34 0.00 0.87 0.00 -0.01 0.00 0.00 39.48 40.68 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 0.44 0.00 4.37 1.35 -1.66 -1.66 112.91 115.75 1xlp h THR 57 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.70 1xlp h THR 57 Cb 0.00 0.88 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 1xlp h THR 57 CO 0.00 0.00 -1.05 -2.24 -0.25 0.00 0.00 175.52 171.98 1xlp h ASP 58 N 0.00 0.00 1.09 5.36 2.03 -1.85 -3.32 116.42 119.74 1xlp h ASP 58 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1xlp h ASP 58 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1xlp h ASP 58 CO -0.00 0.66 -0.34 0.29 -1.03 0.00 0.00 179.24 178.82 1xlp n LYS 59 N -3.09 0.25 -3.20 4.15 5.02 -0.65 -4.83 118.16 115.80 1xlp n LYS 59 Ca -0.05 0.13 -0.38 0.00 -2.02 0.00 0.00 58.31 55.99 1xlp n LYS 59 Cb 0.84 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 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 -3.12 4.66 0.35 -0.18 1.01 -1.03 -4.99 120.40 117.09 1xlp s VAL 60 Ca 0.09 1.25 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 1xlp s VAL 60 Cb 0.14 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1xlp s VAL 60 CO 0.66 0.41 1.35 -2.84 0.00 0.00 0.00 175.10 174.68 1xlp s PRO 61 N -1.48 4.23 0.67 2.72 0.02 -1.26 -4.93 135.00 134.98 1xlp s PRO 61 Ca 0.35 2.30 -0.17 0.00 0.02 0.00 0.00 61.00 63.50 1xlp s PRO 61 Cb -0.19 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 1xlp s PRO 61 CO 0.21 -0.32 0.99 0.00 -0.33 0.00 0.00 177.00 177.55 1xlp n ALA 62 N 0.61 0.03 -2.05 -1.55 0.00 -1.26 -4.91 120.51 111.38 1xlp n ALA 62 Ca 0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1xlp n ALA 62 Cb 0.41 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 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 -1.66 3.62 1.07 0.00 0.00 -1.26 -5.01 121.76 118.52 1xlp s ALA 63 Ca 0.75 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.74 1xlp s ALA 63 Cb -0.37 -3.55 0.23 0.00 0.00 0.00 0.00 23.12 19.43 1xlp s ALA 63 CO 0.48 -0.65 1.18 0.54 0.00 0.00 0.00 175.76 177.31 1xlp s ASN 64 N 0.85 2.14 0.20 0.00 2.20 -1.26 -4.75 114.94 114.32 1xlp s ASN 64 Ca 0.63 0.59 -0.10 0.00 -0.94 0.00 0.00 52.86 53.03 1xlp s ASN 64 Cb -0.39 -0.83 0.24 0.00 -2.00 0.00 0.00 41.25 38.27 1xlp s ASN 64 CO 0.34 -3.36 1.76 -0.08 -2.94 0.00 0.00 177.10 172.81 1xlp h GLU 65 N -2.06 0.43 0.03 3.55 4.57 -1.99 -2.03 114.58 117.08 1xlp h GLU 65 Ca -0.46 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.71 1xlp h GLU 65 Cb 1.28 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1xlp h GLU 65 CO 0.41 0.29 -0.14 -0.09 -1.18 0.00 0.00 179.01 178.30 1xlp h ARG 66 N 0.44 -0.23 -0.63 1.92 2.43 -1.94 -1.27 114.38 115.10 1xlp h ARG 66 Ca 0.29 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 1xlp h ARG 66 Cb 0.31 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1xlp h ARG 66 CO -0.26 -0.16 0.36 1.49 -1.51 0.00 0.00 179.97 179.89 1xlp h GLU 67 N -0.24 0.66 -0.77 0.20 4.81 -1.77 -0.73 114.58 116.73 1xlp h GLU 67 Ca 0.04 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1xlp h GLU 67 Cb 0.29 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 1xlp h GLU 67 CO -0.11 0.43 0.39 0.82 -0.73 0.00 0.00 179.01 179.81 1xlp h ILE 68 N 0.67 0.81 -0.42 2.32 1.08 -0.91 0.16 117.51 121.24 1xlp h ILE 68 Ca 0.27 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.44 1xlp h ILE 68 Cb 0.12 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 1xlp h ILE 68 CO -0.15 0.11 -0.07 1.23 -0.69 0.00 0.00 178.15 178.58 1xlp h GLY 69 N 0.62 0.85 1.39 5.37 0.00 -0.13 -3.19 103.07 107.99 1xlp h GLY 69 Ca 0.39 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1xlp h GLY 69 CO -0.30 0.62 -0.35 1.98 0.00 0.00 0.00 176.54 178.48 1xlp h MET 70 N 0.60 0.68 -0.42 4.80 1.85 -0.40 -2.97 114.93 119.08 1xlp h MET 70 Ca 0.11 -0.33 0.11 0.00 -0.61 0.00 0.00 59.70 58.98 1xlp h MET 70 Cb 0.59 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.60 1xlp h MET 70 CO 0.04 0.93 0.30 -0.07 -0.40 0.00 0.00 176.91 177.70 1xlp h LEU 71 N 0.57 0.04 -2.45 3.39 3.38 -0.69 -0.13 115.31 119.42 1xlp h LEU 71 Ca 0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xlp h LEU 71 Cb 0.87 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1xlp h LEU 71 CO 0.08 0.02 0.12 -0.33 0.09 0.00 0.00 178.44 178.42 1xlp h GLU 72 N 0.04 0.00 -0.47 1.13 4.39 -1.55 -1.80 114.58 116.32 1xlp h GLU 72 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1xlp h GLU 72 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1xlp h GLU 72 CO -0.01 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.71 1xlp n SER 73 N -3.53 3.46 -4.65 1.42 3.41 -0.06 -4.99 113.62 108.68 1xlp n SER 73 Ca -0.01 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.19 1xlp n SER 73 Cb 0.21 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.45 2.21 0.08 -3.33 0.24 -0.68 -4.90 118.33 113.41 1xlp n VAL 74 Ca 0.20 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 62.00 1xlp n VAL 74 Cb 0.59 -1.34 -0.04 0.00 -1.47 0.00 0.00 33.84 31.58 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 2.09 0.90 -2.59 3.34 1.35 -1.86 -3.46 112.91 112.67 1xlp h THR 75 Ca -0.45 -2.39 -0.46 0.00 -0.55 0.00 0.00 66.41 62.57 1xlp h THR 75 Cb 1.31 2.38 0.09 0.00 -1.73 0.00 0.00 68.15 70.20 1xlp h THR 75 CO 0.60 0.51 0.14 0.00 -0.25 0.00 0.00 175.52 176.53 1xlp s ALA 76 N -2.89 3.49 0.18 6.62 0.00 -1.26 -4.99 121.76 122.91 1xlp s ALA 76 Ca 0.01 -1.53 -0.33 0.00 0.00 0.00 0.00 51.96 50.11 1xlp s ALA 76 Cb 0.08 -2.17 -0.12 0.00 0.00 0.00 0.00 23.12 20.91 1xlp s ALA 76 CO 0.78 -1.48 1.70 -1.91 0.00 0.00 0.00 175.76 174.85 1xlp n GLU 77 N -2.90 2.57 -2.92 0.00 2.13 -1.26 -4.93 120.64 113.32 1xlp n GLU 77 Ca 0.13 0.93 -0.42 0.00 0.66 0.00 0.00 57.16 58.47 1xlp n GLU 77 Cb 0.60 -2.75 -0.05 0.00 0.27 0.00 0.00 31.44 29.51 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 1.34 4.08 0.36 4.31 2.96 -1.26 -5.03 118.68 125.44 1xlp s LEU 78 Ca 0.78 0.98 0.08 0.00 -0.22 0.00 0.00 54.13 55.75 1xlp s LEU 78 Cb -0.56 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1xlp s LEU 78 CO 0.35 -0.50 0.10 -0.54 -1.32 0.00 0.00 176.35 174.45 1xlp s LYS 79 N 2.79 2.23 0.45 1.98 1.02 -1.26 -5.02 119.74 121.94 1xlp s LYS 79 Ca 0.34 -1.70 0.12 0.00 0.02 0.00 0.00 55.97 54.75 1xlp s LYS 79 Cb -0.15 -2.04 1.04 0.00 -0.52 0.00 0.00 37.83 36.16 1xlp s LYS 79 CO 0.07 0.06 2.06 -1.35 -0.92 0.00 0.00 175.35 175.28 1xlp h PRO 80 N 1.61 0.33 -0.61 -1.68 0.11 -2.01 -1.60 132.00 128.15 1xlp h PRO 80 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xlp h PRO 80 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xlp h PRO 80 CO 0.66 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.94 1xlp n ASN 81 N -4.48 3.58 -4.75 -2.05 6.94 -1.26 -4.94 115.26 108.30 1xlp n ASN 81 Ca 0.04 -2.31 -0.41 0.00 -0.02 0.00 0.00 54.58 51.87 1xlp n ASN 81 Cb 0.18 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 37.08 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 -0.79 7.00 0.03 0.53 0.01 -0.60 -1.27 113.70 118.61 1xlp s SER 82 Ca 0.37 2.38 -0.13 0.00 1.31 0.00 0.00 55.95 59.88 1xlp s SER 82 Cb 0.24 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.87 1xlp s SER 82 CO 0.18 -0.41 0.28 -0.13 0.41 0.00 0.00 173.24 173.57 1xlp s ARG 83 N -0.71 0.74 -0.58 12.44 1.81 -0.07 -4.94 118.95 127.65 1xlp s ARG 83 Ca 0.52 -0.45 -0.21 0.00 -1.72 0.00 0.00 55.73 53.87 1xlp s ARG 83 Cb -0.35 0.32 0.07 0.00 -0.45 0.00 0.00 34.95 34.54 1xlp s ARG 83 CO 0.41 -0.22 0.80 -0.51 -0.68 0.00 0.00 175.30 175.09 1xlp s LEU 84 N -1.86 4.73 0.00 2.53 1.43 -1.26 -1.17 118.68 123.08 1xlp s LEU 84 Ca -0.08 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 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 -0.01 -1.16 0.82 0.00 0.23 0.00 0.00 176.35 176.23 1xlp n GLN 87 N -2.22 1.85 -3.76 0.00 1.13 0.65 -4.77 117.38 110.27 1xlp n GLN 87 Ca 0.04 -1.25 -0.38 0.00 -1.94 0.00 0.00 57.00 53.48 1xlp n GLN 87 Cb 0.36 -1.46 -0.12 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 -1.93 3.82 -0.16 5.09 1.01 -1.01 -4.93 121.20 123.09 1xlp s ILE 88 Ca 0.35 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1xlp s ILE 88 Cb 0.20 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1xlp s ILE 88 CO 0.31 -0.08 0.41 -0.63 0.00 0.00 0.00 174.94 174.95 1xlp s ILE 89 N 1.43 5.22 0.28 2.92 -1.09 -1.26 -1.94 121.20 126.76 1xlp s ILE 89 Ca -0.00 0.77 -0.29 0.00 -2.23 0.00 0.00 60.65 58.90 1xlp s ILE 89 Cb -0.19 -3.74 -0.10 0.00 -1.58 0.00 0.00 42.46 36.85 1xlp s ILE 89 CO 0.02 0.31 1.33 -0.32 -1.23 0.00 0.00 174.94 175.05 1xlp s MET 90 N 0.87 4.35 0.04 2.79 1.75 -0.30 -4.84 119.30 123.96 1xlp s MET 90 Ca 0.21 2.18 -0.11 0.00 -1.25 0.00 0.00 55.69 56.72 1xlp s MET 90 Cb -0.14 -3.11 0.01 0.00 2.84 0.00 0.00 34.83 34.42 1xlp s MET 90 CO 0.08 -0.24 0.23 0.95 -0.65 0.00 0.00 175.02 175.39 1xlp s THR 91 N -0.59 0.10 0.27 10.11 -4.23 -1.26 -0.75 115.64 119.29 1xlp s THR 91 Ca 0.53 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1xlp s THR 91 Cb -0.39 -0.89 0.27 0.00 1.34 0.00 0.00 72.50 72.83 1xlp s THR 91 CO 0.47 -0.44 1.68 -0.65 -0.54 0.00 0.00 174.62 175.14 1xlp h PRO 92 N 3.43 0.30 -0.56 3.99 0.11 -1.95 0.02 132.00 137.34 1xlp h PRO 92 Ca -0.32 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 65.94 1xlp h PRO 92 Cb 1.19 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1xlp h PRO 92 CO 0.47 0.20 0.49 0.93 -0.21 0.00 0.00 178.00 179.88 1xlp h GLU 93 N 0.31 0.00 -0.04 1.05 4.39 -2.00 0.33 114.58 118.62 1xlp h GLU 93 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1xlp h GLU 93 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1xlp h GLU 93 CO -0.55 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.58 1xlp n LEU 94 N -3.97 1.13 -4.61 1.33 4.77 -0.01 -4.91 117.00 110.73 1xlp n LEU 94 Ca 0.11 -0.40 -0.52 0.00 -0.03 0.00 0.00 56.01 55.16 1xlp n LEU 94 Cb 0.72 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.73 1xlp n LEU 94 CO 0.32 0.20 0.99 -0.67 -1.33 0.00 0.00 177.39 176.91 1xlp n ASP 95 N -0.09 1.92 0.00 -1.43 -0.08 0.12 -0.50 116.55 116.49 1xlp n ASP 95 Ca 0.19 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.58 1xlp n ASP 95 Cb 0.28 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.53 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 2.85 0.72 3.73 0.27 0.00 0.63 -4.91 105.19 108.48 1xlp n GLY 96 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.01 2.05 -5.15 -0.61 3.06 0.35 -4.76 119.36 112.29 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 -1.75 -0.16 0.00 0.54 0.00 0.00 39.64 38.26 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 -1.11 1.90 -0.04 9.51 1.01 -1.26 -1.43 120.40 128.97 1xlp s VAL 98 Ca 0.55 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1xlp s VAL 98 Cb -0.52 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1xlp s VAL 98 CO 0.63 0.53 -0.09 0.68 0.00 0.00 0.00 175.10 176.84 1xlp s VAL 99 N -0.00 0.86 -0.18 2.92 -7.23 -0.44 -1.36 120.40 114.96 1xlp s VAL 99 Ca -0.07 -0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 1xlp s VAL 99 Cb -0.14 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 1xlp s VAL 99 CO 0.04 0.28 0.22 -1.81 -0.31 0.00 0.00 175.10 173.53 1xlp s ASP 100 N 0.55 6.33 -0.18 4.85 1.01 0.04 -0.97 116.67 128.30 1xlp s ASP 100 Ca -0.10 0.37 -0.13 0.00 0.71 0.00 0.00 52.55 53.41 1xlp s ASP 100 Cb -0.13 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 1xlp s ASP 100 CO 0.02 0.13 0.24 -0.69 0.21 0.00 0.00 175.17 175.07 1xlp s VAL 101 N 0.47 5.33 1.18 -1.27 1.01 -0.19 -0.12 120.40 126.82 1xlp s VAL 101 Ca 0.13 0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 1xlp s VAL 101 Cb -0.12 -3.58 0.29 0.00 0.00 0.00 0.00 36.38 32.96 1xlp s VAL 101 CO 0.01 0.39 1.03 -2.16 0.00 0.00 0.00 175.10 174.37 1xlp s PRO 102 N 0.54 -1.05 0.00 2.72 0.04 -1.26 -2.19 135.00 133.80 1xlp s PRO 102 Ca 0.13 0.64 0.24 0.00 0.04 0.00 0.00 61.00 62.06 1xlp s PRO 102 Cb -0.12 -1.55 1.35 0.00 0.04 0.00 0.00 34.50 34.21 1xlp s PRO 102 CO 0.02 -3.76 1.88 -0.40 0.04 0.00 0.00 177.00 174.78 1xlp n ASP 103 N -4.91 0.27 -3.55 6.66 5.75 -1.26 -4.55 116.55 114.96 1xlp n ASP 103 Ca 0.04 -1.31 -0.14 0.00 -0.01 0.00 0.00 54.79 53.37 1xlp n ASP 103 Cb 0.56 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.58 1xlp n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xlp s ARG 104 N -1.98 0.82 -0.02 0.11 1.70 -1.26 -5.05 118.95 113.28 1xlp s ARG 104 Ca 0.36 0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.83 1xlp s ARG 104 Cb 0.17 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1xlp s ARG 104 CO 0.28 -0.26 -0.01 1.04 -1.08 0.00 0.00 175.30 175.28 1xlp n GLN 105 N 0.83 1.51 0.00 3.89 1.13 -1.26 -4.33 117.38 119.15 1xlp n GLN 105 Ca -0.15 0.01 0.13 0.00 -1.94 0.00 0.00 57.00 55.05 1xlp n GLN 105 Cb 0.57 -1.04 0.31 0.00 0.11 0.00 0.00 30.24 30.20 1xlp n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53