#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6j n SER 2 N 0.00 -0.24 -1.57 0.41 7.64 -1.26 -5.03 113.62 113.57 1s6j n SER 2 Ca 0.00 -1.29 0.07 0.00 1.01 0.00 0.00 58.87 58.66 1s6j n SER 2 Cb 0.00 0.43 0.33 0.00 -1.01 0.00 0.00 64.21 63.96 1s6j n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1s6j n SER 3 N -1.89 4.67 0.00 6.43 3.41 -1.26 -4.98 113.62 119.99 1s6j n SER 3 Ca -0.00 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1s6j n SER 3 Cb 0.09 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1s6j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 4 N 0.73 4.47 3.37 5.00 0.00 -1.26 -5.01 105.19 112.49 1s6j n GLY 4 Ca 0.23 -1.39 -0.45 0.00 0.00 0.00 0.00 46.02 44.41 1s6j n GLY 4 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s6j s HIS 5 N -2.04 4.07 -0.23 1.61 0.09 -1.26 -5.00 115.29 112.53 1s6j s HIS 5 Ca 0.00 -2.51 -0.07 0.00 -0.00 0.00 0.00 55.06 52.48 1s6j s HIS 5 Cb 0.00 -3.94 -0.03 0.00 -0.00 0.00 0.00 32.58 28.61 1s6j s HIS 5 CO 0.00 -1.05 0.05 0.42 -0.00 0.00 0.00 174.74 174.16 1s6j s ILE 6 N -0.52 4.32 -0.18 0.60 1.01 -1.26 -4.98 121.20 120.18 1s6j s ILE 6 Ca 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1s6j s ILE 6 Cb -0.08 -2.99 0.16 0.00 0.01 0.00 0.00 42.46 39.55 1s6j s ILE 6 CO -0.07 0.38 1.78 -0.90 0.00 0.00 0.00 174.94 176.13 1s6j n ASP 7 N 4.52 5.17 -0.09 3.58 5.75 -1.26 -3.34 116.55 130.88 1s6j n ASP 7 Ca -0.16 -2.72 0.04 0.00 -0.01 0.00 0.00 54.79 51.93 1s6j n ASP 7 Cb 0.52 -0.93 0.06 0.00 -1.03 0.00 0.00 41.12 39.73 1s6j n ASP 7 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1s6j n ASP 8 N 0.52 1.63 0.00 -1.12 8.00 -1.26 -4.10 116.55 120.22 1s6j n ASP 8 Ca 0.19 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.38 1s6j n ASP 8 Cb 0.65 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s6j n ASP 9 N -0.75 0.00 0.08 -2.24 -0.08 -1.25 -4.88 116.55 107.45 1s6j n ASP 9 Ca 0.06 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.25 1s6j n ASP 9 Cb 0.49 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.90 1s6j n ASP 9 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1s6j h ASP 10 N 0.00 0.24 0.68 1.67 3.58 -1.94 -2.83 116.42 117.81 1s6j h ASP 10 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1s6j h ASP 10 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1s6j h ASP 10 CO 0.00 1.07 -0.36 0.29 -2.88 0.00 0.00 179.24 177.36 1s6j n LYS 11 N -3.58 0.02 0.01 0.28 4.76 -1.21 -3.88 118.16 114.56 1s6j n LYS 11 Ca -0.04 0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.19 1s6j n LYS 11 Cb 0.87 -1.52 -0.14 0.00 -1.84 0.00 0.00 35.03 32.41 1s6j n LYS 11 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1s6j h HIS 12 N 0.00 0.44 0.00 2.13 2.76 -1.70 -3.31 115.15 115.48 1s6j h HIS 12 Ca 0.00 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1s6j h HIS 12 Cb 0.52 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1s6j h HIS 12 CO 0.00 1.60 0.00 1.98 -1.30 0.00 0.00 177.93 180.21 1s6j h MET 13 N -0.25 0.00 0.00 5.26 1.85 -1.62 0.45 114.93 120.63 1s6j h MET 13 Ca -0.33 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.76 1s6j h MET 13 Cb 1.81 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.84 1s6j h MET 13 CO 0.06 0.00 -0.67 0.00 -0.40 0.00 0.00 176.91 175.90 1s6j h ALA 14 N 2.03 0.66 0.00 0.39 0.00 -1.67 -3.32 119.26 117.34 1s6j h ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s6j h ALA 14 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s6j h ALA 14 CO 0.00 0.00 -0.02 0.39 0.00 0.00 0.00 179.25 179.62 1s6j n GLU 15 N -2.79 2.11 -0.74 0.00 1.02 -0.17 -5.07 120.64 115.00 1s6j n GLU 15 Ca 0.01 -1.84 -0.32 0.00 -0.02 0.00 0.00 57.16 54.99 1s6j n GLU 15 Cb 0.54 -1.15 0.14 0.00 -0.02 0.00 0.00 31.44 30.95 1s6j n GLU 15 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1s6j n ARG 16 N -0.81 -0.71 -1.72 3.49 -4.01 0.14 -4.85 116.66 108.19 1s6j n ARG 16 Ca 0.06 -0.17 -0.43 0.00 -1.04 0.00 0.00 57.85 56.28 1s6j n ARG 16 Cb 0.42 -1.87 -0.02 0.00 -3.04 0.00 0.00 32.46 27.95 1s6j n ARG 16 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1s6j n LEU 17 N -1.78 3.98 -3.58 2.89 4.77 -1.26 -4.98 117.00 117.03 1s6j n LEU 17 Ca 0.06 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 56.85 1s6j n LEU 17 Cb 0.55 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.97 1s6j n LEU 17 CO 0.51 0.06 -0.28 -0.55 -1.33 0.00 0.00 177.39 175.80 1s6j s SER 18 N 0.79 3.26 0.00 -1.43 0.15 -1.26 -4.95 113.70 110.26 1s6j s SER 18 Ca 0.70 -2.43 0.29 0.00 0.70 0.00 0.00 55.95 55.21 1s6j s SER 18 Cb -0.53 -0.71 1.22 0.00 -1.71 0.00 0.00 66.02 64.28 1s6j s SER 18 CO 0.41 -0.28 1.90 -0.62 1.20 0.00 0.00 173.24 175.85 1s6j n GLU 19 N 3.75 0.07 0.15 5.44 -0.58 -1.26 -3.41 120.64 124.81 1s6j n GLU 19 Ca 0.11 -0.01 0.12 0.00 -0.42 0.00 0.00 57.16 56.96 1s6j n GLU 19 Cb 0.36 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.27 1s6j n GLU 19 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1s6j n GLU 20 N -1.46 0.19 0.00 3.49 0.28 -1.26 -2.28 120.64 119.60 1s6j n GLU 20 Ca 0.08 0.50 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 1s6j n GLU 20 Cb 0.33 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.27 1s6j n GLU 20 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1s6j n GLU 21 N -2.28 -0.80 -0.07 3.44 2.13 -1.22 -2.70 120.64 119.14 1s6j n GLU 21 Ca 0.01 -0.45 -0.16 0.00 0.66 0.00 0.00 57.16 57.22 1s6j n GLU 21 Cb 0.17 -0.93 -0.14 0.00 0.27 0.00 0.00 31.44 30.81 1s6j n GLU 21 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1s6j n ILE 22 N -0.01 1.58 -0.12 6.31 2.08 -0.97 -4.41 119.36 123.82 1s6j n ILE 22 Ca 0.00 -0.67 -0.27 0.00 0.56 0.00 0.00 62.75 62.37 1s6j n ILE 22 Cb 0.04 -1.30 -0.11 0.00 -0.75 0.00 0.00 39.64 37.52 1s6j n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s6j n GLY 23 N 2.01 -0.62 0.03 7.39 0.00 -1.04 -4.21 105.19 108.75 1s6j n GLY 23 Ca -0.36 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1s6j n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6j n GLY 24 N 1.33 -0.50 0.07 -0.02 0.00 -1.26 -1.52 105.19 103.28 1s6j n GLY 24 Ca -0.45 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1s6j n GLY 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6j h LEU 25 N 0.00 0.00 0.00 0.99 -0.00 -1.77 -3.36 115.31 111.17 1s6j h LEU 25 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1s6j h LEU 25 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1s6j h LEU 25 CO 0.00 0.74 -0.08 0.29 -0.00 0.00 0.00 178.44 179.39 1s6j n LYS 26 N -4.64 0.06 -0.00 1.13 5.02 -1.11 -4.56 118.16 114.05 1s6j n LYS 26 Ca -0.07 0.23 -0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1s6j n LYS 26 Cb 0.23 -0.81 -0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1s6j n LYS 26 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s6j n GLU 27 N -2.59 0.02 -0.23 1.97 1.02 -1.11 -4.13 120.64 115.59 1s6j n GLU 27 Ca -0.01 0.25 -0.06 0.00 -0.02 0.00 0.00 57.16 57.32 1s6j n GLU 27 Cb 0.04 -0.78 -0.05 0.00 -0.02 0.00 0.00 31.44 30.63 1s6j n GLU 27 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1s6j n LEU 28 N -2.35 -0.58 0.15 -4.62 4.32 -0.58 -0.92 117.00 112.42 1s6j n LEU 28 Ca -0.00 1.35 -0.10 0.00 -0.02 0.00 0.00 56.01 57.24 1s6j n LEU 28 Cb 0.01 -0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 41.44 1s6j n LEU 28 CO 0.00 -0.98 0.32 0.15 -1.22 0.00 0.00 177.39 175.66 1s6j h PHE 29 N 0.00 -0.41 -0.67 -1.77 3.57 -1.69 -3.00 116.94 112.98 1s6j h PHE 29 Ca 0.09 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.77 1s6j h PHE 29 Cb 0.22 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1s6j h PHE 29 CO -0.92 -0.11 0.76 0.87 -2.23 0.00 0.00 178.31 176.67 1s6j h LYS 30 N -1.02 0.00 0.00 1.11 1.79 -1.69 0.39 116.57 117.14 1s6j h LYS 30 Ca -0.04 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.35 1s6j h LYS 30 Cb 0.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1s6j h LYS 30 CO 0.07 0.00 -1.19 -0.12 -1.08 0.00 0.00 179.45 177.13 1s6j n MET 31 N -3.53 0.61 -0.01 3.15 1.56 -0.10 -4.25 117.12 114.55 1s6j n MET 31 Ca 0.14 0.17 -0.21 0.00 -0.27 0.00 0.00 57.70 57.53 1s6j n MET 31 Cb 0.99 -1.82 -0.14 0.00 2.15 0.00 0.00 33.22 34.40 1s6j n MET 31 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 1s6j n ILE 32 N -2.77 1.74 -1.66 1.12 0.00 0.11 -4.90 119.36 113.00 1s6j n ILE 32 Ca -0.04 -0.65 -0.49 0.00 0.00 0.00 0.00 62.75 61.57 1s6j n ILE 32 Cb 0.68 -1.68 -0.05 0.00 0.00 0.00 0.00 39.64 38.59 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s6j n ASP 33 N -3.44 2.91 0.19 9.51 2.03 0.05 -4.80 116.55 123.00 1s6j n ASP 33 Ca -0.34 1.05 0.13 0.00 0.52 0.00 0.00 54.79 56.16 1s6j n ASP 33 Cb 1.04 -1.35 0.68 0.00 -0.72 0.00 0.00 41.12 40.78 1s6j n ASP 33 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1s6j h THR 34 N 4.28 0.00 0.00 5.18 2.02 -1.90 0.04 112.91 122.53 1s6j h THR 34 Ca -0.47 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1s6j h THR 34 Cb 1.28 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1s6j h THR 34 CO 0.90 0.00 -1.16 0.47 0.37 0.00 0.00 175.52 176.10 1s6j n ASP 35 N -2.42 0.90 -0.95 4.18 9.92 -1.26 -4.95 116.55 121.97 1s6j n ASP 35 Ca -0.01 -0.56 -0.09 0.00 -0.53 0.00 0.00 54.79 53.60 1s6j n ASP 35 Cb 0.08 1.29 -0.04 0.00 -0.64 0.00 0.00 41.12 41.81 1s6j n ASP 35 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1s6j n ASN 36 N -1.65 -3.75 0.20 -2.24 3.02 -0.00 -4.72 115.26 106.11 1s6j n ASN 36 Ca 0.01 0.23 0.12 0.00 -0.03 0.00 0.00 54.58 54.91 1s6j n ASN 36 Cb 0.33 -3.10 0.21 0.00 -0.61 0.00 0.00 39.78 36.61 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1s6j h SER 37 N 0.00 0.00 0.00 6.41 4.64 -1.85 -3.47 113.55 119.28 1s6j h SER 37 Ca -0.19 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1s6j h SER 37 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1s6j h SER 37 CO 0.28 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1s6j n GLY 38 N 1.14 0.70 2.81 -0.77 0.00 -1.26 -5.06 105.19 102.75 1s6j n GLY 38 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1s6j n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6j s THR 39 N -2.00 0.05 -0.09 2.61 -4.23 -1.26 -4.86 115.64 105.86 1s6j s THR 39 Ca 0.00 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.60 1s6j s THR 39 Cb 0.00 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 1s6j s THR 39 CO 0.00 0.10 0.06 -0.63 -0.54 0.00 0.00 174.62 173.61 1s6j s ILE 40 N 0.87 4.76 0.34 2.99 1.01 -1.09 -4.81 121.20 125.28 1s6j s ILE 40 Ca -0.08 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.54 1s6j s ILE 40 Cb -0.11 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1s6j s ILE 40 CO -0.02 0.58 0.01 0.28 0.00 0.00 0.00 174.94 175.79 1s6j s THR 41 N -0.97 2.59 0.12 2.92 -1.32 -1.26 -0.47 115.64 117.25 1s6j s THR 41 Ca 0.15 -1.98 -0.23 0.00 -1.21 0.00 0.00 61.69 58.42 1s6j s THR 41 Cb -0.12 -2.80 -0.05 0.00 -1.51 0.00 0.00 72.50 68.02 1s6j s THR 41 CO 0.04 -0.19 1.29 0.33 -2.21 0.00 0.00 174.62 173.88 1s6j n PHE 42 N -0.95 -0.33 -0.33 9.09 7.35 -1.26 0.24 117.46 131.27 1s6j n PHE 42 Ca -0.04 0.93 0.15 0.00 -0.76 0.00 0.00 57.45 57.73 1s6j n PHE 42 Cb 0.62 -0.55 0.37 0.00 0.35 0.00 0.00 39.48 40.27 1s6j n PHE 42 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1s6j h ASP 43 N 0.00 0.69 0.75 -2.13 1.82 -1.97 0.31 116.42 115.90 1s6j h ASP 43 Ca 0.12 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1s6j h ASP 43 Cb 0.31 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1s6j h ASP 43 CO -0.70 0.25 -0.65 -0.62 -1.61 0.00 0.00 179.24 175.91 1s6j n GLU 44 N -4.70 0.24 -0.03 0.28 1.02 0.13 -4.06 120.64 113.53 1s6j n GLU 44 Ca 0.22 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.29 1s6j n GLU 44 Cb 0.61 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 1s6j n GLU 44 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s6j h LEU 45 N 0.00 0.02 -2.74 -4.62 5.85 0.70 -3.14 115.31 111.38 1s6j h LEU 45 Ca 0.00 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 1s6j h LEU 45 Cb 0.70 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1s6j h LEU 45 CO 0.00 0.64 -0.00 0.07 -0.34 0.00 0.00 178.44 178.81 1s6j h LYS 46 N -0.59 0.00 0.00 1.25 2.10 -1.44 -1.47 116.57 116.41 1s6j h LYS 46 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s6j h LYS 46 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1s6j h LYS 46 CO 0.00 0.00 0.15 0.22 -2.00 0.00 0.00 179.45 177.83 1s6j h ASP 47 N 0.00 0.00 -0.05 7.07 3.58 -1.69 0.96 116.42 126.29 1s6j h ASP 47 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1s6j h ASP 47 Cb 0.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1s6j h ASP 47 CO 0.00 0.00 -0.06 1.23 -2.88 0.00 0.00 179.24 177.53 1s6j h GLY 48 N 0.00 0.14 1.00 -0.78 0.00 -1.45 -1.44 103.07 100.54 1s6j h GLY 48 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1s6j h GLY 48 CO 0.00 0.13 -0.69 1.04 0.00 0.00 0.00 176.54 177.02 1s6j n LEU 49 N -4.73 0.64 0.04 3.11 7.99 -0.31 -3.90 117.00 119.84 1s6j n LEU 49 Ca -0.08 0.13 -0.18 0.00 -0.01 0.00 0.00 56.01 55.88 1s6j n LEU 49 Cb 0.31 -0.18 -0.08 0.00 -0.11 0.00 0.00 43.42 43.36 1s6j n LEU 49 CO 0.36 0.00 0.13 0.50 -1.51 0.00 0.00 177.39 176.87 1s6j h LYS 50 N 0.00 0.63 -1.10 3.23 3.64 0.89 -2.84 116.57 121.03 1s6j h LYS 50 Ca 0.00 -0.65 0.34 0.00 -1.27 0.00 0.00 60.65 59.07 1s6j h LYS 50 Cb 0.70 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.56 1s6j h LYS 50 CO 0.00 1.25 0.67 -0.09 -2.27 0.00 0.00 179.45 179.01 1s6j h ARG 51 N 0.37 0.27 0.00 1.90 2.43 -1.37 0.29 114.38 118.26 1s6j h ARG 51 Ca -0.11 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.76 1s6j h ARG 51 Cb 1.62 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 31.06 1s6j h ARG 51 CO 0.19 0.18 -1.68 -0.39 -1.51 0.00 0.00 179.97 176.75 1s6j h VAL 52 N 0.27 0.88 -6.72 0.20 -1.51 -1.79 -3.48 116.25 104.10 1s6j h VAL 52 Ca 0.73 -2.73 -0.55 0.00 -1.23 0.00 0.00 66.70 62.93 1s6j h VAL 52 Cb 1.88 2.44 -0.13 0.00 -2.13 0.00 0.00 31.29 33.36 1s6j h VAL 52 CO -0.49 0.52 -0.90 0.61 -1.23 0.00 0.00 177.57 176.08 1s6j n GLY 53 N 1.56 -0.23 0.00 5.19 0.00 0.10 -4.93 105.19 106.88 1s6j n GLY 53 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1s6j n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6j n SER 54 N -2.90 0.00 -2.73 1.61 2.88 -1.26 -4.89 113.62 106.33 1s6j n SER 54 Ca -0.25 0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.29 1s6j n SER 54 Cb 0.66 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.21 1s6j n SER 54 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1s6j n GLU 55 N -0.40 1.52 -0.30 -1.46 2.13 -1.26 -5.13 120.64 115.73 1s6j n GLU 55 Ca 0.00 -2.31 -0.31 0.00 0.66 0.00 0.00 57.16 55.20 1s6j n GLU 55 Cb 0.00 -0.55 0.29 0.00 0.27 0.00 0.00 31.44 31.46 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1s6j s LEU 56 N -3.92 -1.24 -0.26 4.31 0.05 -1.26 -5.03 118.68 111.34 1s6j s LEU 56 Ca 0.18 0.90 0.01 0.00 0.05 0.00 0.00 54.13 55.27 1s6j s LEU 56 Cb 0.38 -2.31 0.07 0.00 -2.05 0.00 0.00 46.19 42.28 1s6j s LEU 56 CO -0.09 -5.48 -0.01 -0.32 -0.55 0.00 0.00 176.35 169.91 1s6j s MET 57 N -5.02 1.41 0.19 1.48 1.75 -1.26 -4.97 119.30 112.89 1s6j s MET 57 Ca 0.68 -1.09 0.11 0.00 -1.25 0.00 0.00 55.69 54.15 1s6j s MET 57 Cb -0.14 -2.56 0.63 0.00 2.84 0.00 0.00 34.83 35.60 1s6j s MET 57 CO 0.58 -0.70 1.32 -1.91 -0.65 0.00 0.00 175.02 173.66 1s6j n GLU 58 N 4.66 0.07 0.03 4.11 2.13 -1.26 0.15 120.64 130.53 1s6j n GLU 58 Ca -0.08 0.55 -0.04 0.00 0.66 0.00 0.00 57.16 58.25 1s6j n GLU 58 Cb 0.44 -1.81 -0.10 0.00 0.27 0.00 0.00 31.44 30.24 1s6j n GLU 58 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s6j h SER 59 N 0.00 0.00 0.24 4.31 0.87 -2.03 -3.34 113.55 113.61 1s6j h SER 59 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 1s6j h SER 59 Cb 0.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1s6j h SER 59 CO 0.00 0.80 -0.49 -0.08 -0.53 0.00 0.00 176.83 176.53 1s6j h GLU 60 N 0.00 0.29 0.00 2.24 4.81 -0.71 -2.70 114.58 118.52 1s6j h GLU 60 Ca -0.17 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1s6j h GLU 60 Cb 1.76 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1s6j h GLU 60 CO 0.07 0.72 0.01 0.82 -0.73 0.00 0.00 179.01 179.90 1s6j h ILE 61 N 0.23 0.00 0.15 2.32 1.08 -1.64 0.35 117.51 120.00 1s6j h ILE 61 Ca 0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 1s6j h ILE 61 Cb 0.94 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1s6j h ILE 61 CO 0.08 0.00 -0.07 0.11 -0.69 0.00 0.00 178.15 177.57 1s6j h LYS 62 N 0.00 -0.20 0.00 2.37 1.79 -1.67 0.57 116.57 119.44 1s6j h LYS 62 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1s6j h LYS 62 Cb 0.02 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1s6j h LYS 62 CO 0.00 -0.13 0.10 0.38 -1.08 0.00 0.00 179.45 178.72 1s6j h ASP 63 N -0.55 0.00 0.42 0.86 3.04 -1.60 0.64 116.42 119.22 1s6j h ASP 63 Ca -0.02 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.46 1s6j h ASP 63 Cb 0.16 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.43 1s6j h ASP 63 CO 0.03 0.00 -1.63 0.25 -2.04 0.00 0.00 179.24 175.85 1s6j h LEU 64 N 0.00 0.31 0.00 0.15 6.46 -0.86 -3.28 115.31 118.10 1s6j h LEU 64 Ca 0.00 -0.50 -0.04 0.00 -0.12 0.00 0.00 57.88 57.22 1s6j h LEU 64 Cb 0.21 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1s6j h LEU 64 CO 0.00 1.43 -0.52 -0.03 -0.62 0.00 0.00 178.44 178.70 1s6j h MET 65 N 0.05 0.00 -1.04 1.25 4.05 0.40 -2.63 114.93 117.02 1s6j h MET 65 Ca -0.28 0.00 0.26 0.00 -0.28 0.00 0.00 59.70 59.41 1s6j h MET 65 Cb 2.01 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 32.72 1s6j h MET 65 CO 0.13 0.21 0.66 0.22 0.23 0.00 0.00 176.91 178.37 1s6j h ASP 66 N -1.00 0.47 0.45 1.39 3.58 -0.15 0.41 116.42 121.56 1s6j h ASP 66 Ca -0.06 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1s6j h ASP 66 Cb 0.57 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1s6j h ASP 66 CO -0.04 0.09 -0.81 0.00 -2.88 0.00 0.00 179.24 175.61 1s6j n ALA 67 N -2.46 3.57 0.43 -0.78 0.00 -1.24 -4.38 120.51 115.66 1s6j n ALA 67 Ca 0.25 -0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1s6j n ALA 67 Cb 0.86 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 1s6j n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6j h ALA 68 N 2.75 -1.07 -3.26 0.00 0.00 0.22 -3.42 119.26 114.47 1s6j h ALA 68 Ca 0.00 -0.23 -0.62 0.00 0.00 0.00 0.00 54.91 54.05 1s6j h ALA 68 Cb 0.63 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 18.66 1s6j h ALA 68 CO 0.00 -1.10 -0.60 0.16 0.00 0.00 0.00 179.25 177.71 1s6j s ASP 69 N -4.25 5.33 0.10 0.00 -4.77 -1.19 -3.88 116.67 108.00 1s6j s ASP 69 Ca -0.18 -0.00 0.26 0.00 -3.30 0.00 0.00 52.55 49.32 1s6j s ASP 69 Cb 0.03 -1.90 0.77 0.00 -1.09 0.00 0.00 42.92 40.72 1s6j s ASP 69 CO 0.61 0.16 1.65 0.00 0.70 0.00 0.00 175.17 178.29 1s6j n ILE 70 N 3.62 0.28 0.43 2.11 0.00 -1.26 -3.24 119.36 121.30 1s6j n ILE 70 Ca -0.17 -0.16 0.08 0.00 0.00 0.00 0.00 62.75 62.50 1s6j n ILE 70 Cb 0.52 -0.32 0.34 0.00 0.00 0.00 0.00 39.64 40.18 1s6j n ILE 70 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s6j n ASP 71 N -1.90 0.18 -2.53 9.51 2.03 -1.26 -4.84 116.55 117.74 1s6j n ASP 71 Ca 0.05 0.55 -0.04 0.00 0.52 0.00 0.00 54.79 55.87 1s6j n ASP 71 Cb 0.39 -0.58 -0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1s6j n ASP 71 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s6j n LYS 72 N -1.70 -2.77 0.00 -0.67 4.01 -1.20 -4.74 118.16 111.09 1s6j n LYS 72 Ca 0.03 0.16 0.13 0.00 -0.51 0.00 0.00 58.31 58.12 1s6j n LYS 72 Cb 0.17 -4.69 0.37 0.00 -0.51 0.00 0.00 35.03 30.37 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1s6j n SER 73 N -1.60 1.97 0.00 4.39 3.41 -1.26 -4.92 113.62 115.60 1s6j n SER 73 Ca -0.04 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1s6j n SER 73 Cb 0.53 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1s6j n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 74 N 1.25 1.68 3.14 5.00 0.00 -1.26 -5.01 105.19 109.98 1s6j n GLY 74 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1s6j n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6j s THR 75 N -2.77 1.64 0.21 2.61 -4.23 -1.26 -4.39 115.64 107.45 1s6j s THR 75 Ca 0.00 -0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 59.61 1s6j s THR 75 Cb 0.00 -1.43 -0.07 0.00 1.34 0.00 0.00 72.50 72.34 1s6j s THR 75 CO 0.00 0.47 0.56 -0.51 -0.54 0.00 0.00 174.62 174.60 1s6j s ILE 76 N 0.37 4.90 0.06 2.99 2.07 0.38 -4.81 121.20 127.16 1s6j s ILE 76 Ca -0.14 0.60 0.05 0.00 -1.41 0.00 0.00 60.65 59.75 1s6j s ILE 76 Cb -0.16 -3.65 -0.03 0.00 0.13 0.00 0.00 42.46 38.76 1s6j s ILE 76 CO 0.06 0.01 -0.14 -0.62 -1.91 0.00 0.00 174.94 172.34 1s6j s ASP 77 N -2.18 1.60 0.29 4.50 -1.08 -1.26 -2.67 116.67 115.87 1s6j s ASP 77 Ca 0.45 -0.59 0.03 0.00 -0.52 0.00 0.00 52.55 51.93 1s6j s ASP 77 Cb -0.12 -0.05 0.66 0.00 -1.46 0.00 0.00 42.92 41.95 1s6j s ASP 77 CO 0.20 -0.07 1.77 0.22 0.52 0.00 0.00 175.17 177.81 1s6j h TYR 78 N 4.40 0.95 0.00 -5.34 3.20 -1.84 0.27 116.97 118.62 1s6j h TYR 78 Ca -0.40 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.42 1s6j h TYR 78 Cb 1.19 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1s6j h TYR 78 CO 0.62 0.21 -0.38 0.78 -1.64 0.00 0.00 178.16 177.74 1s6j h GLY 79 N 0.71 0.00 1.19 1.82 0.00 -1.89 -3.09 103.07 101.81 1s6j h GLY 79 Ca 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.78 1s6j h GLY 79 CO -0.38 0.00 -1.04 0.83 0.00 0.00 0.00 176.54 175.95 1s6j h GLU 80 N 0.00 0.00 -0.22 4.80 5.08 -1.26 -3.23 114.58 119.74 1s6j h GLU 80 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1s6j h GLU 80 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1s6j h GLU 80 CO 0.05 0.18 -0.20 0.35 -1.00 0.00 0.00 179.01 178.39 1s6j h PHE 81 N 0.00 0.43 0.00 4.33 3.57 -0.49 -2.85 116.94 121.93 1s6j h PHE 81 Ca -0.07 -0.07 -0.20 0.00 3.53 0.00 0.00 57.97 61.16 1s6j h PHE 81 Cb 1.29 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1s6j h PHE 81 CO 0.00 0.57 -1.15 0.97 -2.23 0.00 0.00 178.31 176.47 1s6j h ILE 82 N 0.36 1.07 -0.42 1.41 2.10 -1.67 -3.31 117.51 117.06 1s6j h ILE 82 Ca 0.06 -2.70 0.12 0.00 1.08 0.00 0.00 64.86 63.42 1s6j h ILE 82 Cb 0.55 2.49 -0.02 0.00 -1.09 0.00 0.00 36.82 38.75 1s6j h ILE 82 CO 0.04 0.61 0.38 0.00 -1.08 0.00 0.00 178.15 178.09 1s6j h ALA 83 N 1.19 2.21 -3.00 0.18 0.00 -1.52 -3.32 119.26 115.00 1s6j h ALA 83 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1s6j h ALA 83 Cb 1.71 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1s6j h ALA 83 CO 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1s6j n ALA 84 N -2.46 0.00 -3.54 0.00 0.00 -1.23 -5.09 120.51 108.19 1s6j n ALA 84 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1s6j n ALA 84 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 1s6j n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s6j s THR 85 N 0.00 0.00 0.00 0.00 2.01 -1.25 -5.16 115.64 111.25 1s6j s THR 85 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1s6j s THR 85 Cb 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1s6j s THR 85 CO 0.00 -0.01 0.00 1.33 -0.69 0.00 0.00 174.62 175.25 1s6j n VAL 86 N 2.03 0.00 1.64 3.82 0.24 -1.26 -4.83 118.33 119.96 1s6j n VAL 86 Ca -0.16 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.29 1s6j n VAL 86 Cb 0.56 -1.28 0.65 0.00 -1.47 0.00 0.00 33.84 32.30 1s6j n VAL 86 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10