#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j48 s PRO 2 N 0.00 2.73 0.04 0.00 0.02 -1.26 -4.88 135.00 131.65 1j48 s PRO 2 Ca 0.00 0.42 0.05 0.00 0.02 0.00 0.00 61.00 61.49 1j48 s PRO 2 Cb 0.00 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 1j48 s PRO 2 CO 0.00 -1.12 -0.09 0.00 -0.33 0.00 0.00 177.00 175.46 1j48 s ALA 3 N -3.38 2.95 -0.14 -1.55 0.00 0.22 -4.97 121.76 114.88 1j48 s ALA 3 Ca 0.59 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1j48 s ALA 3 Cb -0.11 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.05 1j48 s ALA 3 CO 0.51 0.62 0.19 0.12 0.00 0.00 0.00 175.76 177.21 1j48 s PHE 4 N -1.05 -0.23 0.16 0.00 5.36 -1.26 -1.38 117.98 119.58 1j48 s PHE 4 Ca 0.18 0.49 0.10 0.00 -0.96 0.00 0.00 56.93 56.74 1j48 s PHE 4 Cb -0.11 -0.28 -0.04 0.00 -0.34 0.00 0.00 43.02 42.25 1j48 s PHE 4 CO 0.09 -0.41 -0.23 -1.54 -1.46 0.00 0.00 175.22 171.67 1j48 s SER 5 N 2.32 3.10 -0.07 6.13 1.04 0.45 -4.98 113.70 121.69 1j48 s SER 5 Ca 0.04 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 1j48 s SER 5 Cb -0.13 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.81 1j48 s SER 5 CO -0.08 0.09 0.05 -0.69 0.98 0.00 0.00 173.24 173.59 1j48 s VAL 6 N -1.53 -0.00 -0.15 5.02 1.01 -1.26 -1.55 120.40 121.94 1j48 s VAL 6 Ca 0.16 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1j48 s VAL 6 Cb -0.08 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1j48 s VAL 6 CO 0.07 0.13 0.38 -0.55 0.00 0.00 0.00 175.10 175.13 1j48 s SER 7 N 2.12 -0.41 0.79 3.32 0.15 -0.44 -4.10 113.70 115.13 1j48 s SER 7 Ca 0.04 0.77 -0.11 0.00 0.70 0.00 0.00 55.95 57.36 1j48 s SER 7 Cb -0.13 0.74 0.06 0.00 -1.71 0.00 0.00 66.02 64.99 1j48 s SER 7 CO -0.04 -0.15 1.08 -2.16 1.20 0.00 0.00 173.24 173.17 1j48 s PRO 8 N 0.56 2.16 0.00 5.44 0.04 -1.26 0.12 135.00 142.06 1j48 s PRO 8 Ca -0.03 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1j48 s PRO 8 Cb -0.05 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1j48 s PRO 8 CO -0.03 -1.63 0.57 0.00 0.04 0.00 0.00 177.00 175.94 1j48 n ALA 9 N -3.48 1.88 -2.44 8.56 0.00 -1.26 -4.82 120.51 118.94 1j48 n ALA 9 Ca 0.08 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 1j48 n ALA 9 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1j48 n ALA 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j48 s SER 10 N -0.28 0.13 -1.64 0.00 1.04 -1.26 -1.13 113.70 110.56 1j48 s SER 10 Ca 0.00 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.26 1j48 s SER 10 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1j48 s SER 10 CO 0.00 -0.87 0.12 0.61 0.98 0.00 0.00 173.24 174.08 1j48 n GLY 11 N -0.23 -0.50 3.86 7.32 0.00 -0.92 -4.92 105.19 109.79 1j48 n GLY 11 Ca -0.02 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1j48 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j48 s LEU 12 N -6.12 3.69 0.14 0.99 1.43 -0.79 -4.98 118.68 113.05 1j48 s LEU 12 Ca 0.06 1.40 0.10 0.00 -1.03 0.00 0.00 54.13 54.66 1j48 s LEU 12 Cb -0.03 -4.32 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 1j48 s LEU 12 CO 0.08 -0.53 -0.21 -0.44 0.23 0.00 0.00 176.35 175.48 1j48 s SER 13 N -3.15 3.64 0.26 2.29 0.01 -1.26 -4.44 113.70 111.04 1j48 s SER 13 Ca 0.56 -0.69 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 1j48 s SER 13 Cb -0.10 -0.39 -0.12 0.00 0.21 0.00 0.00 66.02 65.62 1j48 s SER 13 CO 0.32 0.16 1.63 -0.67 0.41 0.00 0.00 173.24 175.09 1j48 n ASP 14 N 0.65 3.83 0.00 2.44 2.03 -1.26 -1.69 116.55 122.54 1j48 n ASP 14 Ca -0.15 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1j48 n ASP 14 Cb 0.54 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1j48 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j48 n GLY 15 N 2.79 0.73 3.76 0.27 0.00 0.70 -4.92 105.19 108.52 1j48 n GLY 15 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1j48 n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j48 s GLN 16 N -0.01 4.44 -0.11 1.61 0.74 -0.68 -4.70 119.66 120.95 1j48 s GLN 16 Ca 0.00 1.90 -0.15 0.00 0.05 0.00 0.00 55.36 57.16 1j48 s GLN 16 Cb 0.00 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.03 1j48 s GLN 16 CO 0.00 -0.00 0.38 0.45 -0.55 0.00 0.00 175.29 175.57 1j48 s SER 17 N -0.86 6.61 0.37 6.67 0.15 -1.26 -1.05 113.70 124.32 1j48 s SER 17 Ca 0.48 0.72 0.07 0.00 0.70 0.00 0.00 55.95 57.93 1j48 s SER 17 Cb -0.33 -2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1j48 s SER 17 CO 0.43 0.13 -0.02 0.68 1.20 0.00 0.00 173.24 175.65 1j48 s VAL 18 N 0.11 1.97 -0.10 4.45 -7.23 0.04 -4.82 120.40 114.81 1j48 s VAL 18 Ca 0.21 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1j48 s VAL 18 Cb -0.15 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1j48 s VAL 18 CO 0.08 -0.09 0.05 -0.55 -0.31 0.00 0.00 175.10 174.28 1j48 s SER 19 N -3.63 5.62 -0.12 4.85 0.15 0.12 -1.31 113.70 119.38 1j48 s SER 19 Ca 0.34 0.25 0.02 0.00 0.70 0.00 0.00 55.95 57.26 1j48 s SER 19 Cb 0.07 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 1j48 s SER 19 CO 0.17 0.38 -0.19 -0.69 1.20 0.00 0.00 173.24 174.10 1j48 s VAL 20 N -0.87 2.47 -0.03 4.45 1.01 -0.14 -1.33 120.40 125.96 1j48 s VAL 20 Ca 0.13 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1j48 s VAL 20 Cb -0.12 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1j48 s VAL 20 CO 0.03 0.54 -0.07 -0.44 0.00 0.00 0.00 175.10 175.16 1j48 s SER 21 N 0.39 1.08 0.01 3.32 0.01 -0.60 -1.86 113.70 116.04 1j48 s SER 21 Ca -0.15 -0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.00 1j48 s SER 21 Cb -0.17 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.70 1j48 s SER 21 CO 0.07 0.03 -0.17 -0.69 0.41 0.00 0.00 173.24 172.90 1j48 s VAL 22 N 0.35 1.33 -0.02 3.43 1.01 0.70 -0.41 120.40 126.79 1j48 s VAL 22 Ca -0.05 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1j48 s VAL 22 Cb -0.10 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1j48 s VAL 22 CO 0.00 0.28 0.31 -0.55 0.00 0.00 0.00 175.10 175.14 1j48 s SER 23 N -0.65 -0.20 -0.54 3.32 0.15 -0.48 -1.45 113.70 113.85 1j48 s SER 23 Ca 0.06 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1j48 s SER 23 Cb -0.07 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1j48 s SER 23 CO 0.00 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1j48 n GLY 24 N 1.40 0.75 0.00 9.45 0.00 -0.98 0.69 105.19 116.50 1j48 n GLY 24 Ca -0.21 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1j48 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j48 n ALA 25 N 1.09 0.00 -2.35 4.61 0.00 -0.08 -4.14 120.51 119.64 1j48 n ALA 25 Ca -0.05 -0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1j48 n ALA 25 Cb 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 1j48 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j48 s ALA 26 N -4.12 2.26 -1.46 0.00 0.00 -1.26 -4.14 121.76 113.04 1j48 s ALA 26 Ca 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 1j48 s ALA 26 Cb 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1j48 s ALA 26 CO 0.00 0.54 0.62 0.41 0.00 0.00 0.00 175.76 177.33 1j48 n GLY 26 N 1.85 -0.31 3.47 0.00 0.00 -0.73 -4.93 105.19 104.53 1j48 n GLY 26 Ca -0.17 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1j48 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j48 s GLU 27 N -6.52 1.64 -0.18 1.61 2.02 -1.26 -4.83 118.70 111.18 1j48 s GLU 27 Ca 0.23 -1.87 -0.11 0.00 0.02 0.00 0.00 54.97 53.25 1j48 s GLU 27 Cb -0.12 -1.19 -0.05 0.00 0.10 0.00 0.00 34.13 32.87 1j48 s GLU 27 CO 0.87 -0.02 0.19 0.99 0.02 0.00 0.00 175.26 177.32 1j48 s THR 28 N -3.01 5.37 0.35 3.63 2.01 -1.26 -0.39 115.64 122.34 1j48 s THR 28 Ca 0.32 0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.72 1j48 s THR 28 Cb 0.06 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 1j48 s THR 28 CO 0.14 0.44 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.15 1j48 s TYR 29 N 0.29 2.31 0.13 4.92 2.02 0.69 -4.81 117.35 122.90 1j48 s TYR 29 Ca 0.12 -0.62 0.11 0.00 -0.37 0.00 0.00 57.07 56.30 1j48 s TYR 29 Cb -0.12 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1j48 s TYR 29 CO 0.01 0.44 -0.26 0.71 -1.57 0.00 0.00 175.55 174.88 1j48 s TYR 30 N -2.77 2.25 0.00 2.71 1.51 0.60 -1.29 117.35 120.36 1j48 s TYR 30 Ca 0.33 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1j48 s TYR 30 Cb 0.05 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1j48 s TYR 30 CO 0.16 0.33 0.03 -1.50 -1.11 0.00 0.00 175.55 173.46 1j48 s ILE 31 N -1.10 0.06 0.00 2.71 2.07 -0.02 -0.92 121.20 124.01 1j48 s ILE 31 Ca 0.13 -0.54 -0.28 0.00 -1.41 0.00 0.00 60.65 58.56 1j48 s ILE 31 Cb -0.10 -0.22 0.10 0.00 0.13 0.00 0.00 42.46 42.36 1j48 s ILE 31 CO 0.06 -0.30 0.84 0.00 -1.91 0.00 0.00 174.94 173.63 1j48 s ALA 32 N -0.90 -1.79 -0.22 1.50 0.00 -0.81 -1.49 121.76 118.04 1j48 s ALA 32 Ca -0.10 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 1j48 s ALA 32 Cb -0.06 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1j48 s ALA 32 CO -0.00 -0.64 0.37 -1.14 0.00 0.00 0.00 175.76 174.35 1j48 s GLN 33 N -2.91 4.13 0.07 0.00 0.74 -1.26 -1.31 119.66 119.11 1j48 s GLN 33 Ca 0.03 0.13 -0.04 0.00 0.05 0.00 0.00 55.36 55.52 1j48 s GLN 33 Cb -0.01 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 1j48 s GLN 33 CO -0.08 -0.08 0.06 0.00 -0.55 0.00 0.00 175.29 174.64 1j48 s ALA 35 N -3.90 1.26 -0.02 0.00 0.00 0.21 -1.56 121.76 117.76 1j48 s ALA 35 Ca 0.06 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1j48 s ALA 35 Cb 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1j48 s ALA 35 CO -0.10 0.28 1.18 -1.25 0.00 0.00 0.00 175.76 175.88 1j48 s PRO 36 N -0.23 4.39 -0.14 0.00 0.04 -1.26 -0.81 135.00 137.00 1j48 s PRO 36 Ca 0.03 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1j48 s PRO 36 Cb -0.07 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 31.05 1j48 s PRO 36 CO -0.00 -0.36 0.23 0.14 0.04 0.00 0.00 177.00 177.05 1j48 s VAL 37 N 1.79 -0.36 -1.46 -0.36 -7.23 0.01 -4.90 120.40 107.89 1j48 s VAL 37 Ca 0.56 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.95 1j48 s VAL 37 Cb -0.26 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.22 1j48 s VAL 37 CO 0.24 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1j48 n GLY 38 N 5.34 1.31 0.00 2.32 0.00 -1.26 -2.75 105.19 110.15 1j48 n GLY 38 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1j48 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j48 n GLY 39 N -1.24 2.50 3.56 -0.02 0.00 -1.26 -5.05 105.19 103.68 1j48 n GLY 39 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1j48 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j48 s GLN 40 N -0.89 1.87 -0.10 1.61 -0.21 -1.11 -5.13 119.66 115.70 1j48 s GLN 40 Ca 0.00 -1.85 -0.17 0.00 0.02 0.00 0.00 55.36 53.36 1j48 s GLN 40 Cb 0.00 -1.78 -0.05 0.00 1.00 0.00 0.00 33.01 32.18 1j48 s GLN 40 CO 0.00 0.18 0.44 -0.51 -2.12 0.00 0.00 175.29 173.28 1j48 s ASP 41 N -3.62 6.68 -0.36 5.90 1.01 -1.26 -0.81 116.67 124.20 1j48 s ASP 41 Ca 0.33 0.80 -0.11 0.00 0.71 0.00 0.00 52.55 54.28 1j48 s ASP 41 Cb 0.00 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.68 1j48 s ASP 41 CO 0.17 0.08 0.21 0.00 0.21 0.00 0.00 175.17 175.84 1j48 s ALA 42 N 0.26 3.32 0.23 5.23 0.00 0.01 -4.20 121.76 126.61 1j48 s ALA 42 Ca 0.24 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.65 1j48 s ALA 42 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 1j48 s ALA 42 CO 0.10 -1.28 0.05 0.00 0.00 0.00 0.00 175.76 174.63 1j48 s ASN 44 N -3.42 6.71 0.38 0.00 2.47 -0.66 -1.13 114.94 119.28 1j48 s ASN 44 Ca 0.30 0.92 0.28 0.00 0.42 0.00 0.00 52.86 54.78 1j48 s ASN 44 Cb -0.08 -2.54 1.13 0.00 -1.45 0.00 0.00 41.25 38.30 1j48 s ASN 44 CO 0.21 -1.10 1.82 1.55 -3.72 0.00 0.00 177.10 175.86 1j48 h PRO 45 N 9.03 0.00 0.00 0.43 0.13 -1.91 -2.25 132.00 137.44 1j48 h PRO 45 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1j48 h PRO 45 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1j48 h PRO 45 CO 1.06 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 1j48 h ALA 46 N 2.16 1.00 0.00 -0.56 0.00 -1.90 -3.30 119.26 116.66 1j48 h ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j48 h ALA 46 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j48 h ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1j48 n THR 47 N -2.86 0.00 -1.82 0.00 -2.24 -1.12 -5.01 114.28 101.22 1j48 n THR 47 Ca 0.04 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1j48 n THR 47 Cb 0.45 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1j48 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j48 s ALA 48 N -0.74 3.74 0.00 6.98 0.00 -0.86 -4.83 121.76 126.06 1j48 s ALA 48 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1j48 s ALA 48 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1j48 s ALA 48 CO 0.00 -1.12 0.00 -2.37 0.00 0.00 0.00 175.76 172.27 1j48 n THR 49 N 4.62 0.00 -4.29 0.00 5.66 -0.55 -5.01 114.28 114.71 1j48 n THR 49 Ca 0.16 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.01 1j48 n THR 49 Cb 0.39 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.07 1j48 n THR 49 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1j48 s SER 50 N 0.38 1.48 0.12 1.09 1.04 -1.26 -0.84 113.70 115.70 1j48 s SER 50 Ca 0.00 -1.21 -0.18 0.00 0.48 0.00 0.00 55.95 55.04 1j48 s SER 50 Cb 0.00 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.24 1j48 s SER 50 CO 0.00 -0.56 0.44 0.72 0.98 0.00 0.00 173.24 174.83 1j48 s PHE 51 N -3.56 -0.28 0.19 5.02 -0.12 -0.41 -4.96 117.98 113.85 1j48 s PHE 51 Ca 0.27 0.04 0.07 0.00 -0.05 0.00 0.00 56.93 57.26 1j48 s PHE 51 Cb 0.06 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1j48 s PHE 51 CO 0.07 -0.71 0.02 0.95 -0.05 0.00 0.00 175.22 175.50 1j48 s THR 52 N -3.56 3.79 0.27 -4.49 -4.23 -1.26 -0.22 115.64 105.93 1j48 s THR 52 Ca 0.01 -1.44 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 1j48 s THR 52 Cb 0.01 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 1j48 s THR 52 CO -0.10 -0.15 0.27 0.42 -0.54 0.00 0.00 174.62 174.52 1j48 s THR 53 N -1.80 4.50 0.24 3.99 -4.23 0.47 -4.70 115.64 114.10 1j48 s THR 53 Ca 0.28 -1.27 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1j48 s THR 53 Cb -0.09 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.31 1j48 s THR 53 CO 0.19 -0.31 0.32 -0.90 -0.54 0.00 0.00 174.62 173.39 1j48 n ASP 54 N -1.29 0.35 0.30 3.99 5.68 0.00 -3.28 116.55 122.29 1j48 n ASP 54 Ca -0.07 -1.31 0.19 0.00 -0.50 0.00 0.00 54.79 53.09 1j48 n ASP 54 Cb 0.58 -0.22 1.00 0.00 -1.14 0.00 0.00 41.12 41.34 1j48 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j48 h ALA 55 N -0.74 1.07 -0.44 2.12 0.00 -1.93 0.11 119.26 119.45 1j48 h ALA 55 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j48 h ALA 55 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j48 h ALA 55 CO 0.11 -0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1j48 n SER 56 N -2.85 3.30 -0.62 0.00 3.41 -1.26 -4.75 113.62 110.85 1j48 n SER 56 Ca -0.02 -1.97 -0.06 0.00 -0.26 0.00 0.00 58.87 56.56 1j48 n SER 56 Cb 0.14 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1j48 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j48 n GLY 57 N 1.48 0.17 3.45 5.00 0.00 -0.05 -3.52 105.19 111.72 1j48 n GLY 57 Ca 0.20 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1j48 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j48 s ALA 58 N -2.27 2.61 -0.01 4.61 0.00 -1.26 -0.91 121.76 124.54 1j48 s ALA 58 Ca 0.00 -1.66 -0.29 0.00 0.00 0.00 0.00 51.96 50.01 1j48 s ALA 58 Cb 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 22.84 1j48 s ALA 58 CO 0.00 0.41 0.72 0.00 0.00 0.00 0.00 175.76 176.89 1j48 s ALA 59 N -1.80 -1.76 -0.12 0.00 0.00 -0.53 -0.82 121.76 116.74 1j48 s ALA 59 Ca 0.23 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 1j48 s ALA 59 Cb -0.08 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1j48 s ALA 59 CO 0.11 -0.49 0.42 0.45 0.00 0.00 0.00 175.76 176.25 1j48 s SER 60 N -1.69 -0.40 0.11 0.00 0.15 -1.26 -0.21 113.70 110.39 1j48 s SER 60 Ca -0.05 0.66 -0.26 0.00 0.70 0.00 0.00 55.95 57.00 1j48 s SER 60 Cb -0.00 0.71 0.08 0.00 -1.71 0.00 0.00 66.02 65.10 1j48 s SER 60 CO 0.01 -0.27 1.05 0.72 1.20 0.00 0.00 173.24 175.95 1j48 s PHE 61 N -0.29 -0.10 0.24 3.44 -0.71 -0.78 -5.02 117.98 114.77 1j48 s PHE 61 Ca -0.04 -0.17 -0.01 0.00 -1.04 0.00 0.00 56.93 55.67 1j48 s PHE 61 Cb -0.03 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1j48 s PHE 61 CO 0.02 -0.70 0.45 -1.12 -1.34 0.00 0.00 175.22 172.53 1j48 s SER 62 N -2.98 6.38 -0.09 1.98 0.01 -1.26 -0.97 113.70 116.77 1j48 s SER 62 Ca 0.13 0.46 -0.05 0.00 1.31 0.00 0.00 55.95 57.80 1j48 s SER 62 Cb 0.00 -2.03 0.04 0.00 0.21 0.00 0.00 66.02 64.24 1j48 s SER 62 CO 0.01 -0.11 0.21 0.12 0.41 0.00 0.00 173.24 173.88 1j48 s PHE 63 N -1.98 -0.26 -0.23 2.43 5.36 -0.43 -4.92 117.98 117.95 1j48 s PHE 63 Ca 0.40 0.65 -0.18 0.00 -0.96 0.00 0.00 56.93 56.83 1j48 s PHE 63 Cb -0.11 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 1j48 s PHE 63 CO 0.30 -0.18 0.51 0.08 -1.46 0.00 0.00 175.22 174.46 1j48 s VAL 63 N 0.94 5.09 0.17 3.12 1.01 -1.26 -0.78 120.40 128.69 1j48 s VAL 63 Ca -0.07 0.90 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 1j48 s VAL 63 Cb -0.08 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1j48 s VAL 63 CO -0.06 0.14 0.39 0.68 0.00 0.00 0.00 175.10 176.25 1j48 s VAL 64 N 1.95 5.17 -0.08 2.92 -7.23 -0.21 -4.96 120.40 117.95 1j48 s VAL 64 Ca 0.22 -0.11 0.04 0.00 -1.81 0.00 0.00 61.98 60.31 1j48 s VAL 64 Cb -0.15 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1j48 s VAL 64 CO 0.09 -0.07 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.49 1j48 s ARG 65 N -2.97 2.44 0.31 4.82 1.81 -1.26 -0.22 118.95 123.88 1j48 s ARG 65 Ca 0.40 -0.70 0.05 0.00 -1.72 0.00 0.00 55.73 53.76 1j48 s ARG 65 Cb -0.12 -1.92 0.51 0.00 -0.45 0.00 0.00 34.95 32.97 1j48 s ARG 65 CO 0.27 0.15 1.76 -0.22 -0.68 0.00 0.00 175.30 176.58 1j48 h LYS 66 N 6.69 0.37 -3.46 3.54 3.64 -1.91 -3.45 116.57 121.99 1j48 h LYS 66 Ca -0.25 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 58.89 1j48 h LYS 66 Cb 1.21 -0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 32.83 1j48 h LYS 66 CO 0.47 0.60 -0.36 -1.54 -2.27 0.00 0.00 179.45 176.36 1j48 s SER 67 N -6.84 -0.02 0.09 4.20 1.04 -1.26 0.07 113.70 110.99 1j48 s SER 67 Ca -0.06 -0.28 -0.26 0.00 0.48 0.00 0.00 55.95 55.82 1j48 s SER 67 Cb 0.14 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.64 1j48 s SER 67 CO 0.77 -0.55 0.88 -0.72 0.98 0.00 0.00 173.24 174.61 1j48 s TYR 68 N -2.38 -0.27 -0.12 5.02 -0.85 -0.78 -5.00 117.35 112.96 1j48 s TYR 68 Ca -0.06 0.04 -0.27 0.00 -0.52 0.00 0.00 57.07 56.26 1j48 s TYR 68 Cb -0.02 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.89 1j48 s TYR 68 CO -0.03 -0.73 0.88 0.95 -1.52 0.00 0.00 175.55 175.10 1j48 s THR 69 N -3.29 4.88 0.23 -3.49 -4.23 -1.26 -0.91 115.64 107.56 1j48 s THR 69 Ca 0.08 1.77 0.10 0.00 -1.18 0.00 0.00 61.69 62.45 1j48 s THR 69 Cb -0.01 -4.19 -0.04 0.00 1.34 0.00 0.00 72.50 69.59 1j48 s THR 69 CO -0.04 0.07 -0.09 -0.83 -0.54 0.00 0.00 174.62 173.19 1j48 s GLY 70 N 1.07 1.73 0.08 3.99 0.00 0.19 -4.38 107.32 109.99 1j48 s GLY 70 Ca 0.42 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1j48 s GLY 70 CO 0.16 -1.67 -0.08 -0.56 0.00 0.00 0.00 173.10 170.96 1j48 s SER 71 N -3.25 1.13 0.81 1.64 0.01 -0.29 -1.30 113.70 112.46 1j48 s SER 71 Ca 0.28 -0.77 -0.10 0.00 1.31 0.00 0.00 55.95 56.67 1j48 s SER 71 Cb -0.07 0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.32 1j48 s SER 71 CO 0.17 -0.30 1.14 0.42 0.41 0.00 0.00 173.24 175.07 1j48 s THR 72 N -2.41 2.11 0.38 1.44 -4.23 0.04 -1.46 115.64 111.51 1j48 s THR 72 Ca 0.02 -0.16 0.15 0.00 -1.18 0.00 0.00 61.69 60.51 1j48 s THR 72 Cb -0.03 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.23 1j48 s THR 72 CO -0.01 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.22 1j48 h PRO 73 N -1.00 0.48 -0.01 3.99 0.11 -1.91 -0.50 132.00 133.16 1j48 h PRO 73 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1j48 h PRO 73 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1j48 h PRO 73 CO 0.53 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.79 1j48 n GLU 74 N -4.62 1.09 0.00 1.05 0.00 -1.26 -4.88 120.64 112.02 1j48 n GLU 74 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1j48 n GLU 74 Cb 0.74 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.76 1j48 n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j48 n GLY 75 N 0.95 0.74 3.69 -1.84 0.00 -0.20 -5.07 105.19 103.47 1j48 n GLY 75 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1j48 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j48 s THR 76 N -2.00 4.84 0.13 2.61 2.01 -1.25 -4.77 115.64 117.21 1j48 s THR 76 Ca 0.00 1.93 -0.30 0.00 0.31 0.00 0.00 61.69 63.63 1j48 s THR 76 Cb 0.00 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 68.18 1j48 s THR 76 CO 0.00 0.06 1.11 -2.16 -0.69 0.00 0.00 174.62 172.94 1j48 s PRO 77 N 1.75 4.56 -0.05 4.92 0.04 -1.26 -0.78 135.00 144.17 1j48 s PRO 77 Ca 0.46 1.70 0.11 0.00 0.04 0.00 0.00 61.00 63.31 1j48 s PRO 77 Cb -0.18 -3.31 0.29 0.00 0.04 0.00 0.00 34.50 31.34 1j48 s PRO 77 CO 0.19 -0.01 1.23 1.33 0.04 0.00 0.00 177.00 179.78 1j48 n VAL 78 N 2.87 1.38 0.00 -0.36 0.24 -0.42 -4.95 118.33 117.09 1j48 n VAL 78 Ca 0.04 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1j48 n VAL 78 Cb 0.47 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1j48 n VAL 78 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j48 n GLY 79 N -0.11 0.83 3.33 7.63 0.00 -1.25 -4.96 105.19 110.66 1j48 n GLY 79 Ca 0.12 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 1j48 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j48 s SER 80 N -4.00 2.78 -0.03 1.61 1.04 -1.26 -0.64 113.70 113.21 1j48 s SER 80 Ca 0.00 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.73 1j48 s SER 80 Cb 0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1j48 s SER 80 CO 0.00 0.05 -0.25 -0.69 0.98 0.00 0.00 173.24 173.33 1j48 s VAL 81 N -1.51 1.97 -0.31 5.02 1.01 -0.09 -4.90 120.40 121.59 1j48 s VAL 81 Ca 0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1j48 s VAL 81 Cb -0.08 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.70 1j48 s VAL 81 CO 0.06 0.56 0.02 -0.62 0.00 0.00 0.00 175.10 175.12 1j48 s ASP 82 N -0.51 4.98 0.00 3.32 3.68 -1.26 -1.88 116.67 125.00 1j48 s ASP 82 Ca 0.07 -1.22 0.20 0.00 2.13 0.00 0.00 52.55 53.73 1j48 s ASP 82 Cb -0.10 -1.75 1.10 0.00 -1.45 0.00 0.00 42.92 40.72 1j48 s ASP 82 CO -0.00 -0.27 1.58 0.00 0.13 0.00 0.00 175.17 176.61 1j48 h ALA 84 N 3.10 0.98 0.00 0.00 0.00 -1.95 -3.38 119.26 118.02 1j48 h ALA 84 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j48 h ALA 84 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1j48 h ALA 84 CO 0.00 0.07 -0.76 0.25 0.00 0.00 0.00 179.25 178.82 1j48 n THR 85 N -3.13 0.00 -2.61 0.00 -2.24 -0.81 -5.03 114.28 100.46 1j48 n THR 85 Ca 0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1j48 n THR 85 Cb 0.46 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 1j48 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j48 s ALA 86 N -1.76 2.93 -1.12 6.98 0.00 0.95 -4.97 121.76 124.78 1j48 s ALA 86 Ca 0.00 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 1j48 s ALA 86 Cb 0.00 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 20.01 1j48 s ALA 86 CO 0.00 -0.18 1.45 0.00 0.00 0.00 0.00 175.76 177.03 1j48 s ALA 87 N -2.10 3.33 0.33 0.00 0.00 -1.26 -4.51 121.76 117.55 1j48 s ALA 87 Ca 0.65 -2.82 -0.15 0.00 0.00 0.00 0.00 51.96 49.64 1j48 s ALA 87 Cb -0.14 -4.36 -0.09 0.00 0.00 0.00 0.00 23.12 18.54 1j48 s ALA 87 CO 0.19 -3.19 0.75 0.00 0.00 0.00 0.00 175.76 173.51 1j48 s ASN 89 N -2.30 0.10 -0.18 0.00 2.20 -0.60 -1.27 114.94 112.89 1j48 s ASN 89 Ca 0.54 -0.97 -0.04 0.00 -0.94 0.00 0.00 52.86 51.46 1j48 s ASN 89 Cb -0.10 0.41 -0.02 0.00 -2.00 0.00 0.00 41.25 39.53 1j48 s ASN 89 CO 0.18 -0.86 -0.04 -0.22 -2.94 0.00 0.00 177.10 173.22 1j48 s LEU 90 N -2.99 3.13 0.05 3.54 2.96 -0.48 -1.32 118.68 123.56 1j48 s LEU 90 Ca 0.20 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 1j48 s LEU 90 Cb 0.04 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1j48 s LEU 90 CO 0.01 0.10 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.18 1j48 s GLY 91 N 0.77 0.77 0.16 7.98 0.00 -0.43 -1.45 107.32 115.12 1j48 s GLY 91 Ca -0.01 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1j48 s GLY 91 CO 0.02 -0.84 -0.11 0.00 0.00 0.00 0.00 173.10 172.16 1j48 s ALA 92 N -0.98 1.58 0.00 3.20 0.00 -1.08 -1.93 121.76 122.55 1j48 s ALA 92 Ca -0.00 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1j48 s ALA 92 Cb -0.08 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1j48 s ALA 92 CO 0.01 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1j48 n GLY 93 N -0.19 -2.20 1.94 0.00 0.00 -0.09 -0.50 105.19 104.14 1j48 n GLY 93 Ca -0.10 -1.36 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 1j48 n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j48 n ASN 94 N 3.00 -0.98 -0.13 1.61 0.23 -0.13 -0.29 115.26 118.56 1j48 n ASN 94 Ca 0.00 -1.97 0.20 0.00 -0.53 0.00 0.00 54.58 52.29 1j48 n ASN 94 Cb 0.00 1.71 0.61 0.00 -2.08 0.00 0.00 39.78 40.02 1j48 n ASN 94 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1j48 h SER 95 N 1.08 0.19 0.86 0.53 0.02 -2.02 -2.73 113.55 111.48 1j48 h SER 95 Ca -0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1j48 h SER 95 Cb 0.66 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1j48 h SER 95 CO 0.22 0.09 -1.12 0.61 -1.14 0.00 0.00 176.83 175.49 1j48 n GLY 96 N -1.60 -1.40 3.64 -3.77 0.00 -1.26 -4.95 105.19 95.85 1j48 n GLY 96 Ca 0.15 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1j48 n GLY 96 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j48 s LEU 97 N -5.20 -0.78 -0.29 0.99 2.96 -1.03 -5.12 118.68 110.21 1j48 s LEU 97 Ca -0.01 1.34 -0.14 0.00 -0.22 0.00 0.00 54.13 55.10 1j48 s LEU 97 Cb 0.10 2.28 -0.03 0.00 0.50 0.00 0.00 46.19 49.04 1j48 s LEU 97 CO 0.80 -0.22 0.31 -0.62 -1.32 0.00 0.00 176.35 175.31 1j48 s ASP 98 N 1.05 6.16 0.14 3.68 -1.08 -1.26 -0.96 116.67 124.40 1j48 s ASP 98 Ca -0.05 0.06 0.25 0.00 -0.52 0.00 0.00 52.55 52.29 1j48 s ASP 98 Cb -0.05 -2.18 0.93 0.00 -1.46 0.00 0.00 42.92 40.16 1j48 s ASP 98 CO -0.11 -0.18 1.76 0.18 0.52 0.00 0.00 175.17 177.33 1j48 n LEU 99 N 5.26 0.46 0.00 -1.34 4.77 0.34 -4.96 117.00 121.53 1j48 n LEU 99 Ca -0.10 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1j48 n LEU 99 Cb 0.51 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1j48 n LEU 99 CO 0.37 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1j48 n GLY 100 N 0.89 0.96 3.10 -0.72 0.00 -1.20 -4.63 105.19 103.59 1j48 n GLY 100 Ca 0.05 -2.31 -0.22 0.00 0.00 0.00 0.00 46.02 43.54 1j48 n GLY 100 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j48 s HIS 101 N -1.05 1.25 -0.14 1.61 3.76 -1.26 -2.62 115.29 116.84 1j48 s HIS 101 Ca 0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1j48 s HIS 101 Cb 0.00 -0.81 0.02 0.00 1.11 0.00 0.00 32.58 32.91 1j48 s HIS 101 CO 0.00 -0.03 -0.13 0.08 -0.85 0.00 0.00 174.74 173.81 1j48 s VAL 102 N -0.29 1.45 0.37 -0.90 1.01 -0.52 -4.97 120.40 116.55 1j48 s VAL 102 Ca 0.05 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 1j48 s VAL 102 Cb -0.06 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 1j48 s VAL 102 CO -0.00 0.44 1.20 0.00 0.00 0.00 0.00 175.10 176.74 1j48 s ALA 103 N 1.51 3.26 -0.05 5.51 0.00 -1.26 -1.38 121.76 129.35 1j48 s ALA 103 Ca 0.04 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1j48 s ALA 103 Cb -0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1j48 s ALA 103 CO -0.10 -0.55 -0.09 -0.51 0.00 0.00 0.00 175.76 174.51 1j48 s LEU 104 N -2.24 3.02 -0.05 0.00 1.43 -0.40 -4.80 118.68 115.64 1j48 s LEU 104 Ca 0.54 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1j48 s LEU 104 Cb -0.33 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1j48 s LEU 104 CO 0.43 0.34 -0.07 -0.89 0.23 0.00 0.00 176.35 176.39 1j48 s THR 105 N -0.81 0.72 -2.22 5.49 2.01 -0.28 -4.53 115.64 116.02 1j48 s THR 105 Ca 0.13 -0.24 0.18 0.00 0.31 0.00 0.00 61.69 62.06 1j48 s THR 105 Cb -0.11 -0.70 0.14 0.00 0.01 0.00 0.00 72.50 71.84 1j48 s THR 105 CO 0.02 0.26 1.06 0.49 -0.69 0.00 0.00 174.62 175.76