#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjg s THR 2 N 0.00 3.53 -0.09 2.03 -4.23 -1.26 -5.02 115.64 110.60 1jjg s THR 2 Ca 0.00 1.29 -0.27 0.00 -1.18 0.00 0.00 61.69 61.53 1jjg s THR 2 Cb 0.00 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 70.08 1jjg s THR 2 CO 0.00 0.21 0.62 0.54 -0.54 0.00 0.00 174.62 175.45 1jjg s VAL 3 N -0.07 0.01 -0.32 2.29 0.11 -1.26 -5.13 120.40 116.04 1jjg s VAL 3 Ca 0.53 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.50 1jjg s VAL 3 Cb -0.33 -0.92 0.11 0.00 -1.53 0.00 0.00 36.38 33.70 1jjg s VAL 3 CO 0.37 -0.04 0.13 -0.51 -3.33 0.00 0.00 175.10 171.72 1jjg s ILE 4 N -0.82 0.52 -0.08 7.04 2.07 -1.26 -5.12 121.20 123.55 1jjg s ILE 4 Ca -0.09 -1.30 -0.03 0.00 -1.41 0.00 0.00 60.65 57.83 1jjg s ILE 4 Cb -0.02 -1.40 -0.04 0.00 0.13 0.00 0.00 42.46 41.13 1jjg s ILE 4 CO 0.07 -0.74 0.06 -0.75 -1.91 0.00 0.00 174.94 171.66 1jjg s LYS 5 N 1.63 3.13 -0.12 3.50 2.20 -1.26 -5.02 119.74 123.81 1jjg s LYS 5 Ca 0.11 -0.34 -0.27 0.00 -0.36 0.00 0.00 55.97 55.11 1jjg s LYS 5 Cb -0.18 -2.92 -0.27 0.00 -1.51 0.00 0.00 37.83 32.95 1jjg s LYS 5 CO -0.25 0.72 0.78 -1.00 -0.36 0.00 0.00 175.35 175.24 1jjg h PRO 6 N 4.91 0.08 0.00 4.03 0.13 -2.07 -3.49 132.00 135.59 1jjg h PRO 6 Ca -0.52 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1jjg h PRO 6 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1jjg h PRO 6 CO 0.57 1.07 0.00 -1.13 -0.23 0.00 0.00 178.00 178.28 1jjg n SER 7 N -4.47 0.00 -3.15 1.44 3.41 -1.26 -5.16 113.62 104.44 1jjg n SER 7 Ca -0.12 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.54 1jjg n SER 7 Cb 0.58 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1jjg n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jjg s SER 8 N 0.00 -0.68 -0.07 4.04 0.01 -1.26 -5.08 113.70 110.66 1jjg s SER 8 Ca 0.00 0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.50 1jjg s SER 8 Cb 0.00 1.51 0.02 0.00 0.21 0.00 0.00 66.02 67.76 1jjg s SER 8 CO 0.00 -0.13 0.10 0.54 0.41 0.00 0.00 173.24 174.17 1jjg n ARG 9 N 5.37 -3.68 0.00 12.44 3.00 -1.26 -5.00 116.66 127.52 1jjg n ARG 9 Ca -0.01 2.77 0.00 0.00 -0.01 0.00 0.00 57.85 60.60 1jjg n ARG 9 Cb 0.54 -3.69 0.00 0.00 0.00 0.00 0.00 32.46 29.31 1jjg n ARG 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1jjg n PRO 10 N 1.94 0.67 -0.64 5.56 -0.04 -1.26 -5.01 135.00 136.23 1jjg n PRO 10 Ca -0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1jjg n PRO 10 Cb 0.27 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.94 1jjg n PRO 10 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1jjg s ARG 11 N -0.82 0.04 -0.27 0.54 0.52 -1.26 -4.91 118.95 112.80 1jjg s ARG 11 Ca 0.00 1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 56.09 1jjg s ARG 11 Cb 0.00 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.83 1jjg s ARG 11 CO 0.00 -3.17 1.17 -1.25 0.02 0.00 0.00 175.30 172.07 1jjg s PRO 12 N -4.56 4.09 0.23 3.54 0.04 -1.26 -4.86 135.00 132.22 1jjg s PRO 12 Ca 0.67 1.29 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1jjg s PRO 12 Cb -0.24 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1jjg s PRO 12 CO 0.61 -0.88 0.00 0.54 0.04 0.00 0.00 177.00 177.32 1jjg n ARG 13 N 6.85 -1.72 -1.70 4.56 1.74 -1.26 -3.71 116.66 121.42 1jjg n ARG 13 Ca 0.13 1.13 -0.33 0.00 -0.77 0.00 0.00 57.85 58.02 1jjg n ARG 13 Cb 0.46 -2.10 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 1jjg n ARG 13 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1jjg n LYS 14 N -2.73 2.74 -4.28 5.56 4.81 -1.26 -4.94 118.16 118.06 1jjg n LYS 14 Ca 0.01 -2.88 -0.31 0.00 -0.87 0.00 0.00 58.31 54.26 1jjg n LYS 14 Cb 0.39 -2.22 -0.09 0.00 0.02 0.00 0.00 35.03 33.12 1jjg n LYS 14 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1jjg s ASN 15 N -0.19 4.66 0.00 3.14 -0.87 -1.24 -5.08 114.94 115.36 1jjg s ASN 15 Ca 0.56 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.61 1jjg s ASN 15 Cb 0.39 -1.03 0.00 0.00 -0.02 0.00 0.00 41.25 40.59 1jjg s ASN 15 CO -0.28 0.22 0.00 0.29 -2.57 0.00 0.00 177.10 174.75 1jjg n LYS 16 N 0.97 0.00 -1.49 -0.60 4.01 -1.26 -4.89 118.16 114.90 1jjg n LYS 16 Ca -0.13 0.00 -0.45 0.00 -0.51 0.00 0.00 58.31 57.22 1jjg n LYS 16 Cb 0.52 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.98 1jjg n LYS 16 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1jjg n ASN 17 N 0.00 2.05 -4.69 4.39 4.13 -1.26 -4.80 115.26 115.08 1jjg n ASN 17 Ca 0.00 0.13 -0.52 0.00 1.68 0.00 0.00 54.58 55.87 1jjg n ASN 17 Cb 0.00 -1.33 -0.06 0.00 -1.54 0.00 0.00 39.78 36.85 1jjg n ASN 17 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1jjg n ILE 18 N 7.51 0.47 -1.52 2.41 5.41 -1.26 -4.82 119.36 127.55 1jjg n ILE 18 Ca 0.42 -0.09 0.07 0.00 1.00 0.00 0.00 62.75 64.16 1jjg n ILE 18 Cb 0.30 -1.61 0.15 0.00 -0.71 0.00 0.00 39.64 37.78 1jjg n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1jjg n LYS 19 N 6.17 1.21 -3.86 0.38 4.81 -1.26 -4.96 118.16 120.66 1jjg n LYS 19 Ca 0.25 -2.75 -0.30 0.00 -0.87 0.00 0.00 58.31 54.63 1jjg n LYS 19 Cb 0.22 -1.34 -0.16 0.00 0.02 0.00 0.00 35.03 33.78 1jjg n LYS 19 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1jjg s VAL 20 N -2.56 1.25 0.00 3.15 -7.23 -1.26 -5.04 120.40 108.70 1jjg s VAL 20 Ca 0.33 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1jjg s VAL 20 Cb 0.31 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1jjg s VAL 20 CO -0.04 -0.31 0.78 0.59 -0.31 0.00 0.00 175.10 175.81 1jjg n ASN 21 N 4.75 0.00 -3.54 4.85 5.03 -1.26 -4.92 115.26 120.17 1jjg n ASN 21 Ca -0.07 0.81 -0.21 0.00 0.87 0.00 0.00 54.58 55.98 1jjg n ASN 21 Cb 0.44 -0.35 0.01 0.00 -1.02 0.00 0.00 39.78 38.86 1jjg n ASN 21 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1jjg n THR 22 N -1.54 -5.37 -0.01 3.41 -1.04 -1.26 -4.89 114.28 103.58 1jjg n THR 22 Ca 0.00 0.01 0.01 0.00 -2.04 0.00 0.00 64.05 62.03 1jjg n THR 22 Cb 0.00 -4.15 0.03 0.00 -1.82 0.00 0.00 70.33 64.39 1jjg n THR 22 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1jjg n TYR 23 N -1.92 0.09 -3.08 -1.42 4.01 -1.26 -4.79 117.16 108.81 1jjg n TYR 23 Ca -0.19 -0.40 -0.37 0.00 -0.16 0.00 0.00 57.90 56.78 1jjg n TYR 23 Cb 0.64 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.61 1jjg n TYR 23 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jjg n ARG 24 N -0.17 3.92 -3.81 -0.72 5.12 -1.26 -4.91 116.66 114.83 1jjg n ARG 24 Ca 0.03 -4.64 -0.29 0.00 -1.93 0.00 0.00 57.85 51.02 1jjg n ARG 24 Cb 0.25 -2.41 -0.16 0.00 -1.16 0.00 0.00 32.46 28.99 1jjg n ARG 24 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jjg s THR 25 N -3.05 1.03 -0.80 0.55 -4.23 -1.26 -4.89 115.64 102.99 1jjg s THR 25 Ca 0.36 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1jjg s THR 25 Cb 0.12 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.41 1jjg s THR 25 CO 0.02 -0.33 0.62 -0.24 -0.54 0.00 0.00 174.62 174.15 1jjg n SER 26 N 4.83 -5.46 -0.70 3.99 2.88 -1.26 -4.79 113.62 113.10 1jjg n SER 26 Ca -0.07 -0.77 0.03 0.00 -1.33 0.00 0.00 58.87 56.73 1jjg n SER 26 Cb 0.44 -2.42 0.13 0.00 -0.75 0.00 0.00 64.21 61.61 1jjg n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jjg n ALA 27 N -2.42 2.69 -2.71 -1.46 0.00 -1.26 -4.83 120.51 110.52 1jjg n ALA 27 Ca -0.25 -0.55 -0.18 0.00 0.00 0.00 0.00 53.44 52.46 1jjg n ALA 27 Cb 0.66 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 1jjg n ALA 27 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jjg s MET 28 N -1.64 0.80 -0.42 0.00 -1.94 -1.26 -5.08 119.30 109.77 1jjg s MET 28 Ca 0.18 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.30 1jjg s MET 28 Cb 0.11 -0.78 0.28 0.00 2.01 0.00 0.00 34.83 36.45 1jjg s MET 28 CO 0.09 0.18 1.11 -3.47 -0.01 0.00 0.00 175.02 172.92 1jjg n ASP 29 N 1.40 -2.11 -4.43 3.03 2.03 -1.26 -5.13 116.55 110.08 1jjg n ASP 29 Ca -0.21 -2.81 -0.34 0.00 0.52 0.00 0.00 54.79 51.96 1jjg n ASP 29 Cb 0.54 1.48 -0.13 0.00 -0.72 0.00 0.00 41.12 42.29 1jjg n ASP 29 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1jjg s LEU 30 N -1.02 3.01 0.32 -2.67 2.96 -1.26 -5.11 118.68 114.90 1jjg s LEU 30 Ca 0.26 -0.24 0.09 0.00 -0.22 0.00 0.00 54.13 54.03 1jjg s LEU 30 Cb 0.25 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 45.17 1jjg s LEU 30 CO -0.15 0.14 -0.10 -0.94 -1.32 0.00 0.00 176.35 173.98 1jjg s SER 31 N 0.51 3.50 -0.34 3.68 1.04 -1.26 -5.09 113.70 115.73 1jjg s SER 31 Ca -0.05 -1.17 -0.29 0.00 0.48 0.00 0.00 55.95 54.91 1jjg s SER 31 Cb -0.15 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.68 1jjg s SER 31 CO 0.03 -0.20 1.26 -2.16 0.98 0.00 0.00 173.24 173.15 1jjg s PRO 32 N -3.62 3.87 0.00 4.02 0.04 -1.26 -3.76 135.00 134.29 1jjg s PRO 32 Ca 0.31 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1jjg s PRO 32 Cb 0.02 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1jjg s PRO 32 CO 0.15 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1jjg n GLY 33 N 4.41 0.72 3.68 0.56 0.00 -1.16 -5.03 105.19 108.36 1jjg n GLY 33 Ca 0.14 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1jjg n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jjg s SER 34 N -2.98 4.52 0.07 1.61 1.04 -1.25 -4.76 113.70 111.95 1jjg s SER 34 Ca 0.00 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 55.70 1jjg s SER 34 Cb 0.00 -0.73 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 1jjg s SER 34 CO 0.00 -0.16 0.03 0.68 0.98 0.00 0.00 173.24 174.76 1jjg s VAL 35 N -2.40 4.21 0.12 5.02 -7.23 -1.26 -0.71 120.40 118.15 1jjg s VAL 35 Ca 0.35 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.41 1jjg s VAL 35 Cb -0.04 -2.99 0.07 0.00 0.56 0.00 0.00 36.38 33.98 1jjg s VAL 35 CO 0.21 0.17 0.97 -1.38 -0.31 0.00 0.00 175.10 174.75 1jjg s HIS 36 N -1.30 -0.16 -0.05 2.82 -3.43 -0.75 -4.95 115.29 107.48 1jjg s HIS 36 Ca 0.26 -0.12 -0.05 0.00 -0.80 0.00 0.00 55.06 54.35 1jjg s HIS 36 Cb -0.12 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.61 1jjg s HIS 36 CO 0.18 -0.76 0.18 -1.21 -2.00 0.00 0.00 174.74 171.13 1jjg s GLU 37 N -3.22 3.47 0.34 -0.38 2.02 -1.26 -1.73 118.70 117.93 1jjg s GLU 37 Ca 0.11 -0.21 -0.11 0.00 0.02 0.00 0.00 54.97 54.79 1jjg s GLU 37 Cb -0.01 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 31.11 1jjg s GLU 37 CO 0.00 0.71 0.61 0.20 0.02 0.00 0.00 175.26 176.80 1jjg s GLY 38 N -1.57 0.79 0.16 -1.39 0.00 -0.63 -4.87 107.32 99.81 1jjg s GLY 38 Ca 0.23 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1jjg s GLY 38 CO 0.13 -0.61 0.35 -0.42 0.00 0.00 0.00 173.10 172.55 1jjg s ILE 39 N -3.00 5.23 0.08 0.90 1.01 -0.77 -1.71 121.20 122.93 1jjg s ILE 39 Ca 0.22 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1jjg s ILE 39 Cb -0.03 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1jjg s ILE 39 CO 0.14 -0.06 0.07 -0.69 0.00 0.00 0.00 174.94 174.39 1jjg s VAL 40 N -1.75 4.46 0.31 2.92 1.01 -0.88 -1.81 120.40 124.67 1jjg s VAL 40 Ca 0.38 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1jjg s VAL 40 Cb -0.12 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1jjg s VAL 40 CO 0.28 0.13 0.45 -0.47 0.00 0.00 0.00 175.10 175.48 1jjg s TYR 41 N -1.37 0.88 -0.13 5.22 5.04 0.67 -0.10 117.35 127.56 1jjg s TYR 41 Ca 0.29 -1.15 0.02 0.00 -2.44 0.00 0.00 57.07 53.79 1jjg s TYR 41 Cb -0.12 -0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.16 1jjg s TYR 41 CO 0.21 -1.06 -0.18 0.12 -1.34 0.00 0.00 175.55 173.31 1jjg s PHE 42 N -3.40 2.28 -0.15 4.97 5.36 -1.26 -0.98 117.98 124.80 1jjg s PHE 42 Ca 0.29 -1.13 -0.28 0.00 -0.96 0.00 0.00 56.93 54.84 1jjg s PHE 42 Cb 0.00 -1.60 0.07 0.00 -0.34 0.00 0.00 43.02 41.15 1jjg s PHE 42 CO 0.16 -0.56 0.70 0.15 -1.46 0.00 0.00 175.22 174.21 1jjg s LYS 43 N 0.97 0.96 -0.61 10.12 1.02 -1.18 -4.88 119.74 126.14 1jjg s LYS 43 Ca -0.05 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1jjg s LYS 43 Cb -0.15 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1jjg s LYS 43 CO -0.03 -0.23 0.00 -0.25 -0.92 0.00 0.00 175.35 173.93 1jjg n ASP 44 N 1.70 -5.68 0.00 2.83 9.92 -1.26 -1.27 116.55 122.79 1jjg n ASP 44 Ca -0.17 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1jjg n ASP 44 Cb 0.56 -3.69 0.00 0.00 -0.64 0.00 0.00 41.12 37.36 1jjg n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjg n GLY 45 N 0.36 3.02 0.00 0.44 0.00 -1.26 -4.98 105.19 102.77 1jjg n GLY 45 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jjg n GLY 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jjg n ILE 46 N -2.00 0.00 -4.06 -0.61 -5.35 -0.40 -5.12 119.36 101.82 1jjg n ILE 46 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 1jjg n ILE 46 Cb 0.00 -0.44 -0.06 0.00 -1.74 0.00 0.00 39.64 37.41 1jjg n ILE 46 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1jjg s PHE 47 N 2.03 2.75 -0.07 4.28 0.40 -0.74 -3.10 117.98 123.53 1jjg s PHE 47 Ca 0.00 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1jjg s PHE 47 Cb 0.00 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.92 1jjg s PHE 47 CO 0.00 0.33 0.00 0.21 0.70 0.00 0.00 175.22 176.47 1jjg s LYS 48 N -3.86 0.60 -0.39 0.44 2.36 -0.16 -1.48 119.74 117.25 1jjg s LYS 48 Ca 0.38 0.10 -0.12 0.00 -2.55 0.00 0.00 55.97 53.78 1jjg s LYS 48 Cb -0.03 -1.00 0.04 0.00 -1.05 0.00 0.00 37.83 35.79 1jjg s LYS 48 CO 0.23 -0.31 0.24 0.08 1.55 0.00 0.00 175.35 177.14 1jjg s VAL 49 N 1.97 4.66 -0.14 4.02 1.01 -0.09 -0.24 120.40 131.59 1jjg s VAL 49 Ca 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1jjg s VAL 49 Cb -0.12 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1jjg s VAL 49 CO -0.05 -0.32 0.19 -0.60 0.00 0.00 0.00 175.10 174.32 1jjg s ARG 50 N 1.56 3.83 -0.47 2.72 3.52 -0.75 -0.89 118.95 128.47 1jjg s ARG 50 Ca 0.03 -0.06 -0.20 0.00 -0.13 0.00 0.00 55.73 55.37 1jjg s ARG 50 Cb -0.20 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1jjg s ARG 50 CO 0.06 0.55 0.62 -1.17 -0.81 0.00 0.00 175.30 174.55 1jjg s LEU 51 N -0.41 4.75 0.38 -0.88 1.98 -0.98 -1.84 118.68 121.67 1jjg s LEU 51 Ca 0.14 -0.66 -0.21 0.00 -2.89 0.00 0.00 54.13 50.52 1jjg s LEU 51 Cb -0.12 -2.55 -0.10 0.00 0.66 0.00 0.00 46.19 44.07 1jjg s LEU 51 CO 0.03 -0.82 0.90 -0.22 -1.89 0.00 0.00 176.35 174.35 1jjg s LEU 52 N 2.68 4.06 0.00 -0.68 2.96 -1.26 -3.54 118.68 122.91 1jjg s LEU 52 Ca 0.18 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1jjg s LEU 52 Cb -0.17 -4.31 0.00 0.00 0.50 0.00 0.00 46.19 42.22 1jjg s LEU 52 CO 0.15 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 1jjg n GLY 53 N -0.28 3.19 0.10 7.98 0.00 -1.26 -4.76 105.19 110.16 1jjg n GLY 53 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1jjg n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jjg n TYR 54 N -1.61 0.07 -1.55 1.61 4.01 -1.23 -5.10 117.16 113.36 1jjg n TYR 54 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1jjg n TYR 54 Cb 0.00 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 1jjg n TYR 54 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1jjg n GLU 55 N -2.78 -4.10 -3.81 -0.72 1.02 -1.24 -4.73 120.64 104.28 1jjg n GLU 55 Ca -0.32 3.17 -0.28 0.00 -0.02 0.00 0.00 57.16 59.72 1jjg n GLU 55 Cb 1.15 -3.94 0.04 0.00 -0.02 0.00 0.00 31.44 28.67 1jjg n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jjg n GLY 56 N -2.49 -0.50 2.46 0.62 0.00 -1.26 -4.94 105.19 99.08 1jjg n GLY 56 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1jjg n GLY 56 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jjg s HIS 57 N -3.32 0.73 -0.24 1.61 2.46 -1.26 -4.48 115.29 110.79 1jjg s HIS 57 Ca 0.60 -1.78 -0.07 0.00 0.47 0.00 0.00 55.06 54.28 1jjg s HIS 57 Cb -0.29 -0.86 -0.03 0.00 -0.13 0.00 0.00 32.58 31.28 1jjg s HIS 57 CO 0.80 -0.84 0.06 -2.00 -2.47 0.00 0.00 174.74 170.28 1jjg s GLU 58 N 0.76 3.63 0.42 2.88 2.12 -0.31 -2.33 118.70 125.88 1jjg s GLU 58 Ca 0.23 -0.49 0.07 0.00 0.36 0.00 0.00 54.97 55.14 1jjg s GLU 58 Cb -0.13 -3.29 -0.06 0.00 0.26 0.00 0.00 34.13 30.91 1jjg s GLU 58 CO -0.06 -0.18 0.09 0.00 -0.54 0.00 0.00 175.26 174.58 1jjg s ILE 60 N -2.68 0.54 -0.17 0.00 -5.25 -0.17 -0.91 121.20 112.55 1jjg s ILE 60 Ca 0.35 -0.18 -0.12 0.00 -0.99 0.00 0.00 60.65 59.72 1jjg s ILE 60 Cb 0.06 -0.53 -0.05 0.00 2.95 0.00 0.00 42.46 44.90 1jjg s ILE 60 CO 0.19 0.20 0.21 -0.22 -1.79 0.00 0.00 174.94 173.53 1jjg s LEU 61 N 0.56 4.25 0.00 0.37 0.20 -0.55 -0.13 118.68 123.38 1jjg s LEU 61 Ca -0.07 0.39 0.00 0.00 0.69 0.00 0.00 54.13 55.13 1jjg s LEU 61 Cb -0.11 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.43 1jjg s LEU 61 CO 0.00 0.17 0.00 -0.11 -0.29 0.00 0.00 176.35 176.12 1jjg n LEU 62 N 3.37 0.00 -0.22 -0.68 7.94 -0.99 -1.79 117.00 124.63 1jjg n LEU 62 Ca -0.15 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.78 1jjg n LEU 62 Cb 0.52 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.61 1jjg n LEU 62 CO 0.38 0.00 0.90 -0.78 -1.11 0.00 0.00 177.39 176.78 1jjg h ASP 63 N 0.00 -0.07 -1.20 1.96 3.58 -1.79 -2.27 116.42 116.63 1jjg h ASP 63 Ca 0.00 0.14 -0.58 0.00 0.42 0.00 0.00 57.03 57.01 1jjg h ASP 63 Cb 0.00 0.20 -0.42 0.00 1.72 0.00 0.00 39.33 40.83 1jjg h ASP 63 CO 0.00 -0.04 -0.72 -1.22 -2.88 0.00 0.00 179.24 174.38 1jjg n TYR 64 N -5.18 3.13 -0.02 0.28 4.02 -1.26 -4.80 117.16 113.33 1jjg n TYR 64 Ca 0.11 -2.73 -0.12 0.00 -0.01 0.00 0.00 57.90 55.15 1jjg n TYR 64 Cb 0.39 -0.22 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 1jjg n TYR 64 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1jjg h LEU 65 N 2.41 -0.05 -0.56 7.72 5.85 -1.74 -3.12 115.31 125.83 1jjg h LEU 65 Ca 0.34 -0.64 0.32 0.00 0.84 0.00 0.00 57.88 58.74 1jjg h LEU 65 Cb 1.16 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 42.03 1jjg h LEU 65 CO 0.83 0.68 -1.18 -3.20 -0.34 0.00 0.00 178.44 175.22 1jjg n ASN 66 N -4.76 -7.22 -2.41 1.25 2.85 -1.26 -4.87 115.26 98.83 1jjg n ASN 66 Ca -0.08 1.35 -0.13 0.00 -0.11 0.00 0.00 54.58 55.61 1jjg n ASN 66 Cb 0.33 -4.58 0.05 0.00 1.24 0.00 0.00 39.78 36.82 1jjg n ASN 66 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jjg n TYR 67 N -4.16 -1.60 -3.43 1.20 9.36 -1.26 -4.99 117.16 112.28 1jjg n TYR 67 Ca -0.09 0.60 -0.37 0.00 3.32 0.00 0.00 57.90 61.36 1jjg n TYR 67 Cb 0.63 -3.61 -0.07 0.00 -0.63 0.00 0.00 39.34 35.67 1jjg n TYR 67 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1jjg s ARG 68 N -5.45 4.23 0.00 2.98 3.52 -1.26 -5.02 118.95 117.95 1jjg s ARG 68 Ca 0.23 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 1jjg s ARG 68 Cb -0.10 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 1jjg s ARG 68 CO 0.44 0.09 0.00 0.00 -0.81 0.00 0.00 175.30 175.02 1jjg n GLN 69 N 4.03 -3.12 -2.88 5.12 10.64 -1.26 -5.07 117.38 124.84 1jjg n GLN 69 Ca -0.09 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.64 1jjg n GLN 69 Cb 0.51 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.86 1jjg n GLN 69 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1jjg s ASP 70 N 0.00 6.44 -0.06 2.61 -1.08 -1.26 -4.98 116.67 118.34 1jjg s ASP 70 Ca 0.00 -1.61 0.01 0.00 -0.52 0.00 0.00 52.55 50.43 1jjg s ASP 70 Cb 0.00 -2.42 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 1jjg s ASP 70 CO 0.00 -1.23 -0.06 -0.89 0.52 0.00 0.00 175.17 173.51 1jjg s THR 71 N 3.34 0.70 0.34 1.71 2.01 -1.26 -5.01 115.64 117.48 1jjg s THR 71 Ca 0.29 -0.17 0.15 0.00 0.31 0.00 0.00 61.69 62.27 1jjg s THR 71 Cb -0.09 -0.72 0.33 0.00 0.01 0.00 0.00 72.50 72.02 1jjg s THR 71 CO -0.02 0.28 1.66 0.17 -0.69 0.00 0.00 174.62 176.02 1jjg h LEU 72 N 7.50 0.51 -3.14 4.42 8.10 -2.06 -3.45 115.31 127.19 1jjg h LEU 72 Ca -0.32 0.19 -0.27 0.00 0.11 0.00 0.00 57.88 57.59 1jjg h LEU 72 Cb 1.15 0.14 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1jjg h LEU 72 CO 0.42 -0.14 -0.64 0.47 -4.11 0.00 0.00 178.44 174.44 1jjg n ASP 73 N -5.06 -6.17 0.08 0.17 8.00 -1.26 -4.88 116.55 107.43 1jjg n ASP 73 Ca 0.32 -0.52 -0.15 0.00 0.71 0.00 0.00 54.79 55.15 1jjg n ASP 73 Cb 0.99 -3.26 -0.08 0.00 -0.02 0.00 0.00 41.12 38.76 1jjg n ASP 73 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1jjg h ARG 74 N 0.21 0.40 -0.17 -1.24 3.08 -2.03 -3.27 114.38 111.36 1jjg h ARG 74 Ca -0.36 -0.49 -0.22 0.00 0.07 0.00 0.00 59.98 58.98 1jjg h ARG 74 Cb 1.23 0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.44 1jjg h ARG 74 CO 0.33 1.17 -0.74 -0.07 -1.07 0.00 0.00 179.97 179.58 1jjg h LEU 75 N 0.20 0.94 -1.97 3.04 3.38 -2.01 -3.00 115.31 115.89 1jjg h LEU 75 Ca -0.11 -0.60 0.14 0.00 0.09 0.00 0.00 57.88 57.40 1jjg h LEU 75 Cb 1.71 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1jjg h LEU 75 CO 0.18 1.40 0.47 0.50 0.09 0.00 0.00 178.44 181.08 1jjg h LYS 76 N 0.56 0.00 -0.64 1.13 1.63 -1.93 0.42 116.57 117.74 1jjg h LYS 76 Ca -0.04 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1jjg h LYS 76 Cb 1.37 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.97 1jjg h LYS 76 CO 0.15 0.00 0.26 1.49 -3.45 0.00 0.00 179.45 177.91 1jjg h GLU 77 N 0.00 0.96 0.00 1.90 4.22 -1.59 -1.94 114.58 118.13 1jjg h GLU 77 Ca 0.22 -0.17 -0.17 0.00 0.08 0.00 0.00 59.36 59.32 1jjg h GLU 77 Cb 1.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1jjg h GLU 77 CO -0.00 0.80 -0.81 0.00 -2.18 0.00 0.00 179.01 176.82 1jjg h ARG 78 N 0.90 0.00 0.06 1.92 2.47 -1.08 -3.30 114.38 115.35 1jjg h ARG 78 Ca 0.21 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1jjg h ARG 78 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1jjg h ARG 78 CO -0.02 0.81 -0.03 -0.07 0.56 0.00 0.00 179.97 181.22 1jjg h LEU 79 N 0.00 -0.07 -9.02 3.04 3.38 -1.14 -3.44 115.31 108.07 1jjg h LEU 79 Ca -0.01 -0.29 -0.55 0.00 0.09 0.00 0.00 57.88 57.12 1jjg h LEU 79 Cb 1.49 0.02 0.24 0.00 0.09 0.00 0.00 40.66 42.50 1jjg h LEU 79 CO 0.11 0.26 -1.80 0.52 0.09 0.00 0.00 178.44 177.61 1jjg n VAL 80 N -4.98 0.00 0.00 1.22 0.31 -0.76 -1.89 118.33 112.25 1jjg n VAL 80 Ca -0.08 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1jjg n VAL 80 Cb 0.19 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1jjg n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jjg n GLY 81 N 3.41 1.90 2.88 2.92 0.00 0.86 -4.91 105.19 112.24 1jjg n GLY 81 Ca -0.01 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1jjg n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjg n ARG 82 N 0.00 0.00 -3.80 1.61 1.74 -0.79 -2.36 116.66 113.06 1jjg n ARG 82 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1jjg n ARG 82 Cb 0.00 -0.96 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 1jjg n ARG 82 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jjg s VAL 83 N -1.92 5.40 0.29 1.55 1.01 -1.26 -2.06 120.40 123.41 1jjg s VAL 83 Ca 0.38 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1jjg s VAL 83 Cb -0.16 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1jjg s VAL 83 CO 0.79 0.59 0.39 0.27 0.00 0.00 0.00 175.10 177.14 1jjg s ILE 84 N -1.07 0.00 0.01 2.22 -0.00 -0.69 -4.91 121.20 116.76 1jjg s ILE 84 Ca 0.18 -1.67 -0.02 0.00 -0.00 0.00 0.00 60.65 59.14 1jjg s ILE 84 Cb -0.13 -2.49 -0.04 0.00 -0.00 0.00 0.00 42.46 39.80 1jjg s ILE 84 CO 0.07 0.00 0.18 -0.75 -0.00 0.00 0.00 174.94 174.45 1jjg s LYS 85 N -3.54 3.42 0.33 0.37 2.36 -1.26 -1.61 119.74 119.81 1jjg s LYS 85 Ca 0.31 -0.36 -0.17 0.00 -2.55 0.00 0.00 55.97 53.20 1jjg s LYS 85 Cb 0.01 -3.07 0.03 0.00 -1.05 0.00 0.00 37.83 33.75 1jjg s LYS 85 CO 0.17 0.66 0.71 0.95 1.55 0.00 0.00 175.35 179.39 1jjg s THR 86 N -1.36 0.00 0.29 3.43 -4.23 -0.71 -4.74 115.64 108.32 1jjg s THR 86 Ca 0.29 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 1jjg s THR 86 Cb -0.13 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1jjg s THR 86 CO 0.21 0.00 0.31 -0.13 -0.54 0.00 0.00 174.62 174.47 1jjg s ARG 87 N -3.20 3.02 -0.25 3.99 1.81 -0.92 -1.81 118.95 121.59 1jjg s ARG 87 Ca 0.15 -1.05 -0.14 0.00 -1.72 0.00 0.00 55.73 52.97 1jjg s ARG 87 Cb -0.05 -2.66 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1jjg s ARG 87 CO 0.10 0.26 0.31 0.08 -0.68 0.00 0.00 175.30 175.37 1jjg s VAL 88 N -2.16 5.23 -0.01 3.52 1.01 0.11 -2.42 120.40 125.69 1jjg s VAL 88 Ca 0.38 0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1jjg s VAL 88 Cb -0.08 -3.65 -0.34 0.00 0.00 0.00 0.00 36.38 32.32 1jjg s VAL 88 CO 0.27 0.23 0.90 0.58 0.00 0.00 0.00 175.10 177.09 1jjg h VAL 89 N 5.21 1.26 0.00 2.92 2.07 -1.69 -3.08 116.25 122.94 1jjg h VAL 89 Ca -0.35 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.55 1jjg h VAL 89 Cb 1.17 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1jjg h VAL 89 CO 0.65 0.79 0.00 -1.14 0.02 0.00 0.00 177.57 177.90 1jjg n ARG 90 N -3.79 0.00 -2.34 1.57 0.63 -1.23 -4.81 116.66 106.68 1jjg n ARG 90 Ca -0.18 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.34 1jjg n ARG 90 Cb 1.04 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.91 1jjg n ARG 90 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jjg s ALA 91 N 0.00 3.46 -0.17 5.13 0.00 -1.26 -2.03 121.76 126.89 1jjg s ALA 91 Ca 0.00 0.99 0.16 0.00 0.00 0.00 0.00 51.96 53.11 1jjg s ALA 91 Cb 0.00 -3.43 0.44 0.00 0.00 0.00 0.00 23.12 20.13 1jjg s ALA 91 CO 0.00 -0.41 1.19 -3.47 0.00 0.00 0.00 175.76 173.07 1jjg n ASP 92 N 2.48 2.01 0.00 0.00 2.03 -0.03 -4.97 116.55 118.08 1jjg n ASP 92 Ca 0.05 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1jjg n ASP 92 Cb 0.44 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1jjg n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjg n GLY 93 N -0.50 1.19 0.11 0.27 0.00 -1.26 -4.03 105.19 100.96 1jjg n GLY 93 Ca 0.18 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 1jjg n GLY 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jjg h LEU 94 N 0.00 0.39 -9.24 0.99 4.07 -1.90 -3.43 115.31 106.18 1jjg h LEU 94 Ca 0.00 -0.40 -0.62 0.00 0.08 0.00 0.00 57.88 56.94 1jjg h LEU 94 Cb 0.00 -0.13 -0.13 0.00 1.08 0.00 0.00 40.66 41.48 1jjg h LEU 94 CO 0.00 1.30 -0.53 -0.47 -1.08 0.00 0.00 178.44 177.66 1jjg s TYR 95 N -2.73 3.35 0.06 1.13 5.04 -1.25 -1.17 117.35 121.78 1jjg s TYR 95 Ca -0.04 0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 1jjg s TYR 95 Cb 0.08 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.28 1jjg s TYR 95 CO 0.88 0.30 -0.06 0.08 -1.34 0.00 0.00 175.55 175.41 1jjg s VAL 96 N 0.12 0.45 0.19 3.14 1.01 -0.51 -0.85 120.40 123.96 1jjg s VAL 96 Ca 0.07 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1jjg s VAL 96 Cb -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1jjg s VAL 96 CO -0.00 -0.70 0.33 -1.81 0.00 0.00 0.00 175.10 172.92 1jjg s ASP 97 N -2.35 6.34 -0.01 3.32 1.01 -0.86 -1.00 116.67 123.12 1jjg s ASP 97 Ca 0.00 0.18 -0.01 0.00 0.71 0.00 0.00 52.55 53.43 1jjg s ASP 97 Cb -0.01 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 42.01 1jjg s ASP 97 CO -0.04 -0.02 0.03 -0.22 0.21 0.00 0.00 175.17 175.14 1jjg s LEU 98 N -3.53 1.89 -0.14 1.23 1.98 0.82 -1.91 118.68 119.01 1jjg s LEU 98 Ca 0.35 0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.63 1jjg s LEU 98 Cb -0.10 0.12 0.02 0.00 0.66 0.00 0.00 46.19 46.89 1jjg s LEU 98 CO 0.29 -0.03 -0.13 0.00 -1.89 0.00 0.00 176.35 174.59 1jjg s ARG 99 N -0.06 2.20 1.09 1.98 1.70 -1.02 -2.34 118.95 122.51 1jjg s ARG 99 Ca -0.01 -0.52 -0.12 0.00 -0.47 0.00 0.00 55.73 54.61 1jjg s ARG 99 Cb -0.01 -2.03 0.24 0.00 -0.57 0.00 0.00 34.95 32.59 1jjg s ARG 99 CO 0.00 -0.23 1.06 0.50 -1.08 0.00 0.00 175.30 175.55 1jjg s ARG 100 N 1.48 -0.35 -0.10 3.89 3.52 -1.18 -2.16 118.95 124.05 1jjg s ARG 100 Ca 0.04 0.83 0.00 0.00 -0.13 0.00 0.00 55.73 56.47 1jjg s ARG 100 Cb -0.13 -1.62 -0.02 0.00 -1.56 0.00 0.00 34.95 31.62 1jjg s ARG 100 CO -0.10 -3.34 -0.11 0.12 -0.81 0.00 0.00 175.30 171.07 1jjg s PHE 101 N -2.62 2.85 0.00 5.12 5.36 -1.26 -4.62 117.98 122.81 1jjg s PHE 101 Ca 0.67 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1jjg s PHE 101 Cb -0.23 -1.78 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1jjg s PHE 101 CO 0.62 0.03 0.00 1.19 -1.46 0.00 0.00 175.22 175.60