#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s ALA 2 N 0.00 -0.90 0.05 3.17 0.00 -1.26 -5.15 121.76 117.67 2k8m s ALA 2 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.71 2k8m s ALA 2 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2k8m s ALA 2 CO 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 175.76 174.37 2k8m s ALA 3 N 2.49 2.90 0.63 0.00 0.00 -1.26 -5.13 121.76 121.40 2k8m s ALA 3 Ca 0.11 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2k8m s ALA 3 Cb -0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2k8m s ALA 3 CO -0.16 0.62 1.03 -1.21 0.00 0.00 0.00 175.76 176.03 2k8m s GLU 4 N -1.72 3.39 -0.24 0.00 8.01 -1.26 -4.91 118.70 121.96 2k8m s GLU 4 Ca 0.18 0.62 -0.24 0.00 0.01 0.00 0.00 54.97 55.54 2k8m s GLU 4 Cb -0.11 -2.09 -0.10 0.00 -4.31 0.00 0.00 34.13 27.52 2k8m s GLU 4 CO 0.09 -0.67 0.81 -2.30 0.01 0.00 0.00 175.26 173.21 2k8m n PRO 5 N -2.78 0.00 -3.98 0.39 -0.02 -1.26 -4.95 135.00 122.40 2k8m n PRO 5 Ca 0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.30 2k8m n PRO 5 Cb 0.55 -0.77 -0.05 0.00 -0.02 0.00 0.00 33.50 33.20 2k8m n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2k8m s LEU 6 N 1.46 3.10 0.00 2.45 1.43 -1.26 -5.14 118.68 120.72 2k8m s LEU 6 Ca 0.54 -1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 2k8m s LEU 6 Cb -0.77 -1.53 0.19 0.00 0.03 0.00 0.00 46.19 44.12 2k8m s LEU 6 CO 0.42 -0.66 1.06 1.07 0.23 0.00 0.00 176.35 178.46 2k8m n THR 7 N -1.39 0.00 0.13 5.49 5.66 -1.26 -4.69 114.28 118.22 2k8m n THR 7 Ca -0.01 -0.75 -0.13 0.00 -3.05 0.00 0.00 64.05 60.11 2k8m n THR 7 Cb 0.64 -1.57 -0.08 0.00 -1.55 0.00 0.00 70.33 67.77 2k8m n THR 7 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2k8m h GLU 8 N 0.00 -0.62 -0.77 1.09 4.81 -2.01 0.20 114.58 117.28 2k8m h GLU 8 Ca -0.35 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.02 2k8m h GLU 8 Cb 0.96 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 2k8m h GLU 8 CO 0.24 -0.41 0.42 -0.07 -0.73 0.00 0.00 179.01 178.46 2k8m h LEU 9 N -0.64 0.59 -1.23 1.64 3.38 -2.00 0.09 115.31 117.14 2k8m h LEU 9 Ca -0.02 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2k8m h LEU 9 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k8m h LEU 9 CO -0.18 0.34 -0.38 -0.33 0.09 0.00 0.00 178.44 177.98 2k8m h GLU 10 N 0.72 0.00 -0.01 1.13 5.08 -1.85 -2.63 114.58 117.01 2k8m h GLU 10 Ca 0.37 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.52 2k8m h GLU 10 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2k8m h GLU 10 CO -0.25 0.38 -0.91 1.49 -1.00 0.00 0.00 179.01 178.73 2k8m h GLU 11 N 0.00 0.41 -0.31 2.33 4.81 0.10 -2.41 114.58 119.52 2k8m h GLU 11 Ca -0.00 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2k8m h GLU 11 Cb 0.68 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2k8m h GLU 11 CO 0.05 1.08 0.18 0.77 -0.73 0.00 0.00 179.01 180.36 2k8m h SER 12 N 0.24 0.38 0.64 1.04 0.02 -0.72 -1.75 113.55 113.40 2k8m h SER 12 Ca -0.07 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 2k8m h SER 12 Cb 1.53 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2k8m h SER 12 CO 0.16 0.34 -0.37 0.16 -1.14 0.00 0.00 176.83 175.98 2k8m h ILE 13 N 0.38 0.99 0.00 3.27 3.07 -1.52 -2.29 117.51 121.41 2k8m h ILE 13 Ca 0.11 -1.40 -0.06 0.00 1.55 0.00 0.00 64.86 65.06 2k8m h ILE 13 Cb 0.04 1.82 -0.01 0.00 -0.27 0.00 0.00 36.82 38.40 2k8m h ILE 13 CO -0.02 0.36 -0.28 -0.08 -1.05 0.00 0.00 178.15 177.08 2k8m h GLU 14 N 0.00 0.00 -0.23 0.16 4.22 -0.86 -2.48 114.58 115.39 2k8m h GLU 14 Ca -0.00 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.35 2k8m h GLU 14 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2k8m h GLU 14 CO 0.05 0.28 -0.23 1.15 -2.18 0.00 0.00 179.01 178.08 2k8m h THR 15 N 0.00 1.25 0.00 0.32 2.02 -0.73 0.17 112.91 115.94 2k8m h THR 15 Ca -0.00 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 2k8m h THR 15 Cb 0.56 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2k8m h THR 15 CO 0.04 0.37 -0.25 -0.37 0.37 0.00 0.00 175.52 175.68 2k8m h VAL 16 N 0.38 0.28 0.23 3.16 -1.51 -1.50 -2.91 116.25 114.38 2k8m h VAL 16 Ca 0.06 -1.40 -0.34 0.00 -1.23 0.00 0.00 66.70 63.79 2k8m h VAL 16 Cb 0.61 2.10 0.03 0.00 -2.13 0.00 0.00 31.29 31.90 2k8m h VAL 16 CO 0.04 0.16 -1.58 0.58 -1.23 0.00 0.00 177.57 175.54 2k8m h VAL 17 N 0.00 1.15 -0.05 7.19 2.07 -1.13 -2.87 116.25 122.61 2k8m h VAL 17 Ca -0.01 -2.62 -0.05 0.00 0.82 0.00 0.00 66.70 64.85 2k8m h VAL 17 Cb 1.13 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 2k8m h VAL 17 CO 0.02 0.83 -0.20 0.00 0.02 0.00 0.00 177.57 178.24 2k8m h THR 18 N 0.12 1.17 0.05 2.57 1.03 -0.71 -0.07 112.91 117.07 2k8m h THR 18 Ca -0.29 -0.79 -0.26 0.00 -0.01 0.00 0.00 66.41 65.05 2k8m h THR 18 Cb 2.13 1.36 0.01 0.00 -1.07 0.00 0.00 68.15 70.59 2k8m h THR 18 CO 0.24 0.23 -1.09 0.71 -0.01 0.00 0.00 175.52 175.60 2k8m h THR 19 N 0.08 1.35 -0.72 0.00 1.35 -1.59 -2.43 112.91 110.95 2k8m h THR 19 Ca 0.01 -2.47 -0.07 0.00 -0.55 0.00 0.00 66.41 63.33 2k8m h THR 19 Cb 0.40 2.55 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 2k8m h THR 19 CO 0.03 0.75 0.19 0.15 -0.25 0.00 0.00 175.52 176.38 2k8m h PHE 20 N 0.26 1.19 0.00 4.73 3.57 -1.19 -1.82 116.94 123.68 2k8m h PHE 20 Ca -0.13 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 2k8m h PHE 20 Cb 1.75 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 2k8m h PHE 20 CO 0.09 0.95 -0.35 0.35 -2.23 0.00 0.00 178.31 177.12 2k8m h PHE 21 N 1.08 0.00 -0.01 0.41 3.57 -1.01 0.14 116.94 121.12 2k8m h PHE 21 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2k8m h PHE 21 Cb 0.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2k8m h PHE 21 CO 0.03 0.35 -0.08 0.25 -2.23 0.00 0.00 178.31 176.63 2k8m n THR 22 N -3.82 0.00 -0.07 4.41 -2.24 -0.92 -4.02 114.28 107.62 2k8m n THR 22 Ca -0.01 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 2k8m n THR 22 Cb 0.42 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 2k8m n THR 22 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2k8m n PHE 23 N -0.10 0.00 -1.11 4.78 3.01 -0.73 -4.65 117.46 118.66 2k8m n PHE 23 Ca 0.17 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.44 2k8m n PHE 23 Cb 0.35 -0.53 -0.13 0.00 -0.01 0.00 0.00 39.48 39.16 2k8m n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k8m n ALA 24 N -2.88 6.64 -2.35 4.37 0.00 0.42 -3.73 120.51 122.98 2k8m n ALA 24 Ca -0.24 -2.30 0.02 0.00 0.00 0.00 0.00 53.44 50.92 2k8m n ALA 24 Cb 0.76 -2.54 0.01 0.00 0.00 0.00 0.00 19.45 17.68 2k8m n ALA 24 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k8m n ARG 25 N 2.60 0.00 -0.10 0.00 1.85 -1.26 -3.58 116.66 116.18 2k8m n ARG 25 Ca 0.51 -1.67 -0.18 0.00 -1.00 0.00 0.00 57.85 55.51 2k8m n ARG 25 Cb 0.74 -0.07 -0.08 0.00 -1.05 0.00 0.00 32.46 32.00 2k8m n ARG 25 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2k8m n GLN 26 N 0.35 0.44 -0.02 2.89 -0.06 -1.24 -4.88 117.38 114.84 2k8m n GLN 26 Ca 0.02 0.16 -0.02 0.00 -2.00 0.00 0.00 57.00 55.16 2k8m n GLN 26 Cb 1.01 -1.26 -0.01 0.00 -4.06 0.00 0.00 30.24 25.92 2k8m n GLN 26 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2k8m n GLU 27 N -3.60 0.15 0.00 3.69 1.02 -1.26 -5.09 120.64 115.55 2k8m n GLU 27 Ca -0.37 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2k8m n GLU 27 Cb 0.80 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 2k8m n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8m n GLY 28 N 1.65 1.92 2.31 0.62 0.00 -1.26 -5.11 105.19 105.33 2k8m n GLY 28 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 2k8m n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k8m n ARG 29 N -0.35 -2.25 0.00 1.61 0.63 -1.26 -4.79 116.66 110.24 2k8m n ARG 29 Ca 0.00 1.98 0.05 0.00 -0.92 0.00 0.00 57.85 58.96 2k8m n ARG 29 Cb 0.00 -3.95 0.28 0.00 0.45 0.00 0.00 32.46 29.24 2k8m n ARG 29 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2k8m n LYS 30 N 0.38 0.18 -0.08 -0.14 2.85 -1.23 -1.58 118.16 118.53 2k8m n LYS 30 Ca 0.01 0.16 0.07 0.00 -1.05 0.00 0.00 58.31 57.50 2k8m n LYS 30 Cb 0.03 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.20 2k8m n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k8m n ASP 31 N -1.24 1.18 -3.64 -5.58 9.92 -1.26 -4.86 116.55 111.07 2k8m n ASP 31 Ca 0.05 -1.78 -0.11 0.00 -0.53 0.00 0.00 54.79 52.43 2k8m n ASP 31 Cb 0.08 -0.11 -0.05 0.00 -0.64 0.00 0.00 41.12 40.40 2k8m n ASP 31 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2k8m s SER 32 N -1.32 -0.23 -0.31 -2.24 1.04 -0.62 -3.45 113.70 106.57 2k8m s SER 32 Ca 0.24 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 2k8m s SER 32 Cb 0.13 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 2k8m s SER 32 CO 0.19 -0.82 0.20 -0.22 0.98 0.00 0.00 173.24 173.57 2k8m s LEU 33 N -2.69 4.23 0.00 2.42 1.98 0.15 -4.80 118.68 119.97 2k8m s LEU 33 Ca 0.02 -0.26 -0.13 0.00 -2.89 0.00 0.00 54.13 50.87 2k8m s LEU 33 Cb 0.02 -2.11 0.19 0.00 0.66 0.00 0.00 46.19 44.95 2k8m s LEU 33 CO -0.11 -0.15 1.12 -1.20 -1.89 0.00 0.00 176.35 174.12 2k8m n SER 34 N 5.07 0.17 -0.02 3.68 7.64 -1.26 -1.93 113.62 126.97 2k8m n SER 34 Ca -0.13 -1.46 -0.15 0.00 1.01 0.00 0.00 58.87 58.13 2k8m n SER 34 Cb 0.51 -0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 2k8m n SER 34 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2k8m h VAL 35 N -1.57 1.45 -0.39 0.44 3.04 -1.99 -2.36 116.25 114.87 2k8m h VAL 35 Ca -0.36 -1.83 -0.09 0.00 -1.01 0.00 0.00 66.70 63.41 2k8m h VAL 35 Cb 1.02 2.46 -0.01 0.00 -2.01 0.00 0.00 31.29 32.74 2k8m h VAL 35 CO 0.26 0.52 -0.10 -1.13 -1.01 0.00 0.00 177.57 176.11 2k8m h ASN 36 N -0.21 0.76 -0.50 3.17 -1.24 -1.99 -2.34 115.58 113.23 2k8m h ASN 36 Ca -0.03 -0.37 -0.04 0.00 0.71 0.00 0.00 56.30 56.57 2k8m h ASN 36 Cb 1.04 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.85 2k8m h ASN 36 CO 0.07 0.95 0.18 -0.33 -1.29 0.00 0.00 177.43 177.02 2k8m h GLU 37 N 0.56 0.82 -0.43 6.67 5.08 -1.89 -0.68 114.58 124.71 2k8m h GLU 37 Ca 0.10 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2k8m h GLU 37 Cb 0.62 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k8m h GLU 37 CO 0.04 0.70 -0.03 0.35 -1.00 0.00 0.00 179.01 179.07 2k8m h PHE 38 N 0.80 0.85 -0.20 4.33 3.04 -1.23 -0.81 116.94 123.72 2k8m h PHE 38 Ca 0.18 -0.16 -0.10 0.00 3.98 0.00 0.00 57.97 61.87 2k8m h PHE 38 Cb 0.22 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 2k8m h PHE 38 CO 0.01 0.85 -0.32 -0.22 -2.02 0.00 0.00 178.31 176.61 2k8m h LYS 39 N 0.61 0.42 0.00 1.11 3.64 -1.03 -2.25 116.57 119.06 2k8m h LYS 39 Ca 0.12 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k8m h LYS 39 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2k8m h LYS 39 CO 0.03 0.69 0.00 0.93 -2.27 0.00 0.00 179.45 178.83 2k8m h GLU 40 N 0.36 0.00 0.13 1.90 5.08 -0.92 -2.53 114.58 118.60 2k8m h GLU 40 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2k8m h GLU 40 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2k8m h GLU 40 CO 0.06 0.00 -0.06 1.25 -1.00 0.00 0.00 179.01 179.25 2k8m h LEU 41 N 0.00 -0.15 -0.09 1.33 5.85 -0.57 -3.33 115.31 118.35 2k8m h LEU 41 Ca 0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2k8m h LEU 41 Cb 0.80 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 2k8m h LEU 41 CO 0.00 0.45 0.01 -0.37 -0.34 0.00 0.00 178.44 178.19 2k8m h VAL 42 N -0.93 1.24 -0.35 1.05 -1.51 -1.54 -0.66 116.25 113.55 2k8m h VAL 42 Ca -0.02 -0.74 -0.35 0.00 -1.23 0.00 0.00 66.70 64.36 2k8m h VAL 42 Cb 0.50 1.56 -0.09 0.00 -2.13 0.00 0.00 31.29 31.12 2k8m h VAL 42 CO 0.03 0.21 0.41 0.41 -1.23 0.00 0.00 177.57 177.40 2k8m n THR 43 N -4.84 3.34 0.00 7.19 -1.04 -0.95 -2.51 114.28 115.47 2k8m n THR 43 Ca -0.06 -2.17 0.00 0.00 -2.04 0.00 0.00 64.05 59.78 2k8m n THR 43 Cb 0.18 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 2k8m n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2k8m n GLN 44 N 2.13 0.00 -0.12 -2.82 7.27 -1.21 -4.88 117.38 117.75 2k8m n GLN 44 Ca 0.49 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.37 2k8m n GLN 44 Cb 0.71 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.24 2k8m n GLN 44 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2k8m n GLN 45 N -1.85 0.65 -3.53 3.69 6.02 -0.26 -4.75 117.38 117.35 2k8m n GLN 45 Ca 0.00 0.17 -0.27 0.00 -0.01 0.00 0.00 57.00 56.89 2k8m n GLN 45 Cb 0.00 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 29.63 2k8m n GLN 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2k8m n LEU 46 N -3.38 3.54 0.13 1.08 7.99 -1.04 -4.86 117.00 120.46 2k8m n LEU 46 Ca -0.45 -5.38 0.08 0.00 -0.01 0.00 0.00 56.01 50.24 2k8m n LEU 46 Cb 0.98 -0.67 0.04 0.00 -0.11 0.00 0.00 43.42 43.67 2k8m n LEU 46 CO 0.25 1.99 0.29 1.55 -1.51 0.00 0.00 177.39 179.97 2k8m h PRO 47 N 4.46 0.00 0.00 3.23 0.13 -1.82 -3.28 132.00 134.72 2k8m h PRO 47 Ca 0.19 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.21 2k8m h PRO 47 Cb 0.69 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2k8m h PRO 47 CO 0.80 0.15 -1.40 1.58 -0.23 0.00 0.00 178.00 178.91 2k8m n HIS 48 N -2.95 0.00 0.02 1.56 -0.00 -1.26 -4.69 115.22 107.90 2k8m n HIS 48 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2k8m n HIS 48 Cb 0.63 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.99 30.30 2k8m n HIS 48 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2k8m h LEU 49 N 0.00 -0.14 -8.34 0.27 5.85 -1.92 -3.32 115.31 107.71 2k8m h LEU 49 Ca -0.16 0.03 -0.66 0.00 0.84 0.00 0.00 57.88 57.93 2k8m h LEU 49 Cb 1.26 0.07 -0.16 0.00 0.37 0.00 0.00 40.66 42.20 2k8m h LEU 49 CO -0.02 -0.06 0.27 -0.76 -0.34 0.00 0.00 178.44 177.52 2k8m s LEU 50 N -10.28 4.75 0.00 2.25 1.43 -1.24 -4.88 118.68 110.72 2k8m s LEU 50 Ca -0.13 -0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 52.03 2k8m s LEU 50 Cb 0.08 -2.50 -0.12 0.00 0.03 0.00 0.00 46.19 43.68 2k8m s LEU 50 CO 0.67 -1.11 2.44 0.29 0.23 0.00 0.00 176.35 178.87 2k8m n LYS 51 N 6.77 1.28 -3.15 1.70 5.02 -1.25 -4.47 118.16 124.06 2k8m n LYS 51 Ca -0.05 -0.44 0.05 0.00 -2.02 0.00 0.00 58.31 55.86 2k8m n LYS 51 Cb 0.45 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 2k8m n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k8m s ASP 52 N 2.08 -0.43 0.00 4.39 2.15 -1.26 -5.01 116.67 118.59 2k8m s ASP 52 Ca 0.29 0.15 0.03 0.00 0.43 0.00 0.00 52.55 53.45 2k8m s ASP 52 Cb 0.14 1.31 0.06 0.00 -0.30 0.00 0.00 42.92 44.13 2k8m s ASP 52 CO 0.00 -0.08 0.94 1.33 -0.17 0.00 0.00 175.17 177.19 2k8m n VAL 53 N 5.30 0.74 -0.12 1.11 0.24 -1.26 -4.62 118.33 119.72 2k8m n VAL 53 Ca 0.01 -0.87 -0.21 0.00 -2.04 0.00 0.00 64.34 61.23 2k8m n VAL 53 Cb 0.56 0.65 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 2k8m n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8m n GLY 54 N -0.14 -0.35 1.56 7.63 0.00 -1.26 -4.45 105.19 108.18 2k8m n GLY 54 Ca 0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2k8m n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k8m n SER 55 N -3.68 3.35 -0.37 1.61 7.64 -1.26 -4.36 113.62 116.54 2k8m n SER 55 Ca -0.44 -2.75 0.01 0.00 1.01 0.00 0.00 58.87 56.71 2k8m n SER 55 Cb 0.87 -0.66 0.16 0.00 -1.01 0.00 0.00 64.21 63.57 2k8m n SER 55 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k8m h LEU 56 N 1.05 1.07 -1.26 -3.43 7.12 -1.82 -1.05 115.31 117.00 2k8m h LEU 56 Ca 0.29 -0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.35 2k8m h LEU 56 Cb 1.86 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 41.71 2k8m h LEU 56 CO 0.51 0.71 0.52 0.44 -0.13 0.00 0.00 178.44 180.50 2k8m h ASP 57 N 1.23 0.80 -0.18 1.25 5.19 -1.94 0.23 116.42 123.01 2k8m h ASP 57 Ca 0.42 -0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.76 2k8m h ASP 57 Cb 0.08 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 2k8m h ASP 57 CO -0.15 0.54 -0.14 -0.08 -3.12 0.00 0.00 179.24 176.28 2k8m h GLU 58 N 0.92 0.42 -0.82 3.56 4.22 -1.56 -2.58 114.58 118.74 2k8m h GLU 58 Ca 0.33 -0.21 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 2k8m h GLU 58 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2k8m h GLU 58 CO -0.11 0.76 0.39 0.87 -2.18 0.00 0.00 179.01 178.74 2k8m h LYS 59 N 0.08 1.18 -0.86 1.92 6.56 -0.59 -2.20 116.57 122.66 2k8m h LYS 59 Ca 0.03 -0.17 0.04 0.00 -1.06 0.00 0.00 60.65 59.49 2k8m h LYS 59 Cb 0.66 -0.21 -0.05 0.00 -0.57 0.00 0.00 32.23 32.05 2k8m h LYS 59 CO 0.04 0.90 0.55 1.98 -2.06 0.00 0.00 179.45 180.86 2k8m h MET 60 N 1.17 1.03 0.00 3.15 4.05 -0.49 0.16 114.93 124.00 2k8m h MET 60 Ca 0.28 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 2k8m h MET 60 Cb 0.11 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 2k8m h MET 60 CO -0.04 0.68 0.00 -0.22 0.23 0.00 0.00 176.91 177.56 2k8m h LYS 61 N 1.06 0.00 0.00 0.39 3.64 -1.02 -0.98 116.57 119.66 2k8m h LYS 61 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2k8m h LYS 61 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2k8m h LYS 61 CO -0.12 0.00 -1.03 0.43 -2.27 0.00 0.00 179.45 176.45 2k8m n SER 62 N -2.91 0.70 -0.08 4.20 7.64 -0.22 -4.26 113.62 118.69 2k8m n SER 62 Ca 0.02 0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 2k8m n SER 62 Cb 0.33 0.60 -0.12 0.00 -1.01 0.00 0.00 64.21 64.01 2k8m n SER 62 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k8m n LEU 63 N -2.41 2.05 -4.56 -3.43 4.77 -0.13 -4.66 117.00 108.64 2k8m n LEU 63 Ca 0.01 0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.95 2k8m n LEU 63 Cb 0.51 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 2k8m n LEU 63 CO 0.40 0.43 1.44 -0.62 -1.33 0.00 0.00 177.39 177.70 2k8m s ASP 64 N -6.93 6.36 0.07 -1.43 -1.08 -0.41 -4.79 116.67 108.47 2k8m s ASP 64 Ca -0.28 -1.27 0.16 0.00 -0.52 0.00 0.00 52.55 50.64 2k8m s ASP 64 Cb 0.06 -2.57 0.67 0.00 -1.46 0.00 0.00 42.92 39.63 2k8m s ASP 64 CO 0.63 -1.64 1.49 1.33 0.52 0.00 0.00 175.17 177.51 2k8m n VAL 65 N 6.90 1.05 -0.01 1.11 0.24 -1.26 -1.62 118.33 124.73 2k8m n VAL 65 Ca 0.30 0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 62.83 2k8m n VAL 65 Cb 0.51 -1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 31.65 2k8m n VAL 65 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2k8m n ASN 66 N -1.71 0.70 -3.49 -1.34 3.02 -1.26 -4.99 115.26 106.20 2k8m n ASN 66 Ca 0.03 0.32 -0.25 0.00 -0.03 0.00 0.00 54.58 54.65 2k8m n ASN 66 Cb 0.17 0.26 0.05 0.00 -0.61 0.00 0.00 39.78 39.65 2k8m n ASN 66 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2k8m n GLN 67 N -2.91 -6.31 -0.50 3.52 7.27 -0.64 -4.87 117.38 112.95 2k8m n GLN 67 Ca -0.16 0.78 0.11 0.00 0.07 0.00 0.00 57.00 57.80 2k8m n GLN 67 Cb 0.97 -5.73 0.35 0.00 2.41 0.00 0.00 30.24 28.24 2k8m n GLN 67 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2k8m n ASP 68 N -2.79 4.39 -2.73 1.69 5.75 -1.26 -4.93 116.55 116.67 2k8m n ASP 68 Ca -0.02 -2.21 -0.16 0.00 -0.01 0.00 0.00 54.79 52.39 2k8m n ASP 68 Cb 0.57 -0.54 0.06 0.00 -1.03 0.00 0.00 41.12 40.18 2k8m n ASP 68 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2k8m n SER 69 N 1.45 -4.39 -3.27 -1.12 7.64 -1.26 -5.02 113.62 107.66 2k8m n SER 69 Ca 0.26 -0.40 -0.04 0.00 1.01 0.00 0.00 58.87 59.69 2k8m n SER 69 Cb 0.76 -3.77 -0.05 0.00 -1.01 0.00 0.00 64.21 60.14 2k8m n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k8m s GLU 70 N -5.71 0.44 -0.75 1.43 2.12 -1.26 -4.69 118.70 110.28 2k8m s GLU 70 Ca 0.32 0.59 -0.25 0.00 0.36 0.00 0.00 54.97 55.99 2k8m s GLU 70 Cb -0.14 -0.09 0.05 0.00 0.26 0.00 0.00 34.13 34.21 2k8m s GLU 70 CO 0.52 -0.75 1.18 -0.51 -0.54 0.00 0.00 175.26 175.17 2k8m s LEU 71 N 2.66 3.69 1.09 2.70 2.01 -0.81 -4.89 118.68 125.13 2k8m s LEU 71 Ca 0.14 -0.81 -0.15 0.00 0.01 0.00 0.00 54.13 53.32 2k8m s LEU 71 Cb -0.14 -2.51 0.24 0.00 0.01 0.00 0.00 46.19 43.79 2k8m s LEU 71 CO -0.21 -1.64 1.10 -0.54 1.01 0.00 0.00 176.35 176.07 2k8m s LYS 72 N 4.96 -0.35 -1.17 1.70 3.01 -1.26 0.29 119.74 126.92 2k8m s LYS 72 Ca 0.32 0.28 -0.09 0.00 -1.01 0.00 0.00 55.97 55.46 2k8m s LYS 72 Cb -0.10 -1.67 -0.07 0.00 -1.01 0.00 0.00 37.83 34.99 2k8m s LYS 72 CO 0.10 -3.20 2.38 0.34 0.51 0.00 0.00 175.35 175.48 2k8m n PHE 73 N -4.46 1.90 0.00 3.18 -0.00 -1.22 -1.89 117.46 114.96 2k8m n PHE 73 Ca 0.08 -2.39 0.00 0.00 -0.00 0.00 0.00 57.45 55.14 2k8m n PHE 73 Cb 0.58 -2.00 0.00 0.00 -0.00 0.00 0.00 39.48 38.06 2k8m n PHE 73 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k8m n ASN 74 N 4.41 0.00 0.08 -2.13 5.15 -1.26 -4.91 115.26 116.60 2k8m n ASN 74 Ca 0.57 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 54.35 2k8m n ASN 74 Cb 0.20 0.12 -0.11 0.00 -0.53 0.00 0.00 39.78 39.47 2k8m n ASN 74 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2k8m h GLU 75 N 0.00 0.57 -0.30 1.20 3.07 -1.76 -3.27 114.58 114.10 2k8m h GLU 75 Ca 0.00 -0.71 -0.09 0.00 -0.50 0.00 0.00 59.36 58.06 2k8m h GLU 75 Cb 0.00 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2k8m h GLU 75 CO 0.00 1.30 -0.21 -0.92 -1.40 0.00 0.00 179.01 177.78 2k8m h TYR 76 N 0.28 0.62 -0.07 4.33 3.20 -1.61 -2.78 116.97 120.94 2k8m h TYR 76 Ca -0.15 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.62 2k8m h TYR 76 Cb 1.80 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.92 2k8m h TYR 76 CO 0.10 0.73 0.07 2.35 -1.64 0.00 0.00 178.16 179.77 2k8m h TRP 77 N 0.50 0.00 -0.66 -3.82 7.01 -1.79 -1.34 115.95 115.85 2k8m h TRP 77 Ca 0.08 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.17 2k8m h TRP 77 Cb 0.64 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.66 2k8m h TRP 77 CO 0.02 0.00 0.44 -0.09 -2.79 0.00 0.00 178.44 176.02 2k8m h ARG 78 N 0.00 0.52 -0.72 2.65 2.43 -1.59 0.29 114.38 117.96 2k8m h ARG 78 Ca 0.03 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2k8m h ARG 78 Cb 0.18 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2k8m h ARG 78 CO -0.00 0.34 0.29 1.25 -1.51 0.00 0.00 179.97 180.35 2k8m h LEU 79 N 0.54 0.96 -1.13 3.80 5.85 -1.42 -0.40 115.31 123.50 2k8m h LEU 79 Ca 0.30 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2k8m h LEU 79 Cb 0.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2k8m h LEU 79 CO -0.10 0.85 -0.15 0.40 -0.34 0.00 0.00 178.44 179.10 2k8m h ILE 80 N 1.03 1.23 -0.04 4.05 2.04 -1.07 -1.27 117.51 123.48 2k8m h ILE 80 Ca 0.24 -1.02 -0.17 0.00 1.00 0.00 0.00 64.86 64.91 2k8m h ILE 80 Cb 0.18 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2k8m h ILE 80 CO -0.02 0.33 -0.75 1.23 0.00 0.00 0.00 178.15 178.94 2k8m h GLY 81 N 0.91 0.26 0.80 5.37 0.00 -0.78 -2.93 103.07 106.71 2k8m h GLY 81 Ca 0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2k8m h GLY 81 CO 0.03 0.35 -0.15 0.83 0.00 0.00 0.00 176.54 177.60 2k8m h GLU 82 N 0.16 0.44 0.00 4.80 4.39 -0.59 -2.75 114.58 121.02 2k8m h GLU 82 Ca -0.03 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2k8m h GLU 82 Cb 1.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2k8m h GLU 82 CO 0.12 0.77 -0.03 1.37 -1.16 0.00 0.00 179.01 180.08 2k8m h LEU 83 N 0.11 0.00 -0.12 1.33 8.10 -1.29 -0.58 115.31 122.86 2k8m h LEU 83 Ca 0.04 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.90 2k8m h LEU 83 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 2k8m h LEU 83 CO 0.04 0.03 -0.40 0.00 -4.11 0.00 0.00 178.44 174.00 2k8m h ALA 84 N 1.97 0.21 0.00 0.17 0.00 -1.30 -3.12 119.26 117.19 2k8m h ALA 84 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2k8m h ALA 84 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k8m h ALA 84 CO 0.00 0.32 -0.07 1.57 0.00 0.00 0.00 179.25 181.08 2k8m h LYS 85 N 0.09 0.00 0.00 0.00 2.10 -1.14 -3.14 116.57 114.48 2k8m h LYS 85 Ca -0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 2k8m h LYS 85 Cb 1.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2k8m h LYS 85 CO 0.09 0.07 -0.12 0.93 -2.00 0.00 0.00 179.45 178.41 2k8m h GLU 86 N 0.00 0.00 0.00 0.07 4.39 -1.06 0.23 114.58 118.21 2k8m h GLU 86 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k8m h GLU 86 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2k8m h GLU 86 CO 0.01 0.12 -0.53 0.97 -1.16 0.00 0.00 179.01 178.42 2k8m h ILE 87 N 0.00 0.00 0.03 3.13 2.10 -1.57 -3.36 117.51 117.84 2k8m h ILE 87 Ca -0.00 -0.75 -0.38 0.00 1.08 0.00 0.00 64.86 64.81 2k8m h ILE 87 Cb 0.28 1.44 -0.06 0.00 -1.09 0.00 0.00 36.82 37.39 2k8m h ILE 87 CO 0.02 0.00 -2.34 -1.14 -1.08 0.00 0.00 178.15 173.60 2k8m n ARG 88 N -2.50 0.68 -2.66 2.19 3.00 -0.68 -5.01 116.66 111.68 2k8m n ARG 88 Ca 0.03 0.17 -0.14 0.00 -0.00 0.00 0.00 57.85 57.91 2k8m n ARG 88 Cb 0.49 -1.57 0.01 0.00 0.00 0.00 0.00 32.46 31.39 2k8m n ARG 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k8m n LYS 89 N -3.29 0.97 0.04 -0.14 5.02 0.71 -5.10 118.16 116.38 2k8m n LYS 89 Ca -0.41 -1.91 -0.01 0.00 -2.02 0.00 0.00 58.31 53.96 2k8m n LYS 89 Cb 1.01 0.13 -0.00 0.00 -0.02 0.00 0.00 35.03 36.15 2k8m n LYS 89 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k8m n LYS 90 N -1.34 0.03 -0.13 1.97 4.81 -1.26 -4.69 118.16 117.55 2k8m n LYS 90 Ca 0.01 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2k8m n LYS 90 Cb 0.35 -0.55 0.00 0.00 0.02 0.00 0.00 35.03 34.86 2k8m n LYS 90 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k8m n LYS 91 N -3.53 0.00 -1.56 1.64 4.81 -1.26 -4.99 118.16 113.27 2k8m n LYS 91 Ca -0.01 -0.08 -0.34 0.00 -0.87 0.00 0.00 58.31 57.01 2k8m n LYS 91 Cb 0.03 -0.06 -0.04 0.00 0.02 0.00 0.00 35.03 34.98 2k8m n LYS 91 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k8m n ASP 92 N 0.00 7.66 0.00 3.14 9.92 -1.26 -4.63 116.55 131.38 2k8m n ASP 92 Ca 0.00 -2.88 0.00 0.00 -0.53 0.00 0.00 54.79 51.38 2k8m n ASP 92 Cb 0.51 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 2k8m n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8m n LEU 93 N 2.29 0.00 0.00 0.64 -0.00 -1.26 -5.03 117.00 113.64 2k8m n LEU 93 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.64 2k8m n LEU 93 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2k8m n LEU 93 CO 0.61 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 179.17 2k8m n LYS 94 N 0.00 0.00 -1.48 1.47 0.00 -1.26 -4.92 118.16 111.97 2k8m n LYS 94 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 58.31 58.49 2k8m n LYS 94 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 2k8m n LYS 94 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2k8m n ILE 95 N 0.00 -0.72 -3.28 3.15 -5.35 -1.26 -4.99 119.36 106.91 2k8m n ILE 95 Ca 0.00 0.86 -0.07 0.00 -0.27 0.00 0.00 62.75 63.26 2k8m n ILE 95 Cb 0.00 -1.35 -0.05 0.00 -1.74 0.00 0.00 39.64 36.50 2k8m n ILE 95 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2k8m s ARG 96 N -4.06 0.46 -0.17 6.28 3.00 -1.26 -5.14 118.95 118.06 2k8m s ARG 96 Ca 0.00 0.11 -0.14 0.00 -1.00 0.00 0.00 55.73 54.70 2k8m s ARG 96 Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 34.95 34.76 2k8m s ARG 96 CO 0.00 -1.06 0.44 0.21 0.00 0.00 0.00 175.30 174.89 2k8m s LYS 97 N 2.49 0.48 0.00 5.12 2.36 -1.26 -5.35 119.74 123.58 2k8m s LYS 97 Ca 0.10 0.67 0.30 0.00 -2.55 0.00 0.00 55.97 54.50 2k8m s LYS 97 Cb -0.12 0.17 1.51 0.00 -1.05 0.00 0.00 37.83 38.34 2k8m s LYS 97 CO -0.27 -0.09 2.00 1.17 1.55 0.00 0.00 175.35 179.71