#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4b s ASN 32 N 0.00 3.80 -0.13 5.98 0.01 -1.26 -5.11 114.94 118.23 2k4b s ASN 32 Ca 0.00 -1.33 -0.04 0.00 -0.71 0.00 0.00 52.86 50.78 2k4b s ASN 32 Cb 0.00 -0.38 -0.07 0.00 0.41 0.00 0.00 41.25 41.22 2k4b s ASN 32 CO 0.00 -0.40 -0.15 0.52 -1.51 0.00 0.00 177.10 175.56 2k4b n VAL 33 N -0.92 0.73 -3.85 1.60 0.31 -1.26 -5.09 118.33 109.85 2k4b n VAL 33 Ca -0.05 -0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 63.95 2k4b n VAL 33 Cb 0.66 -1.42 -0.09 0.00 -0.91 0.00 0.00 33.84 32.08 2k4b n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2k4b s SER 34 N -5.85 0.01 0.00 4.52 0.01 -1.26 -5.08 113.70 106.04 2k4b s SER 34 Ca -0.18 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2k4b s SER 34 Cb 0.06 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2k4b s SER 34 CO 0.26 -0.46 0.00 0.59 0.41 0.00 0.00 173.24 174.04 2k4b n ASN 35 N 1.11 4.20 0.08 2.44 3.02 -1.26 -4.73 115.26 120.11 2k4b n ASN 35 Ca -0.21 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.22 2k4b n ASN 35 Cb 0.57 0.69 -0.08 0.00 -0.61 0.00 0.00 39.78 40.35 2k4b n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k4b h ALA 36 N 0.00 -0.24 -1.99 5.41 0.00 -2.05 -3.49 119.26 116.90 2k4b h ALA 36 Ca 0.00 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.81 2k4b h ALA 36 Cb 0.31 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.01 2k4b h ALA 36 CO 0.00 -0.37 0.54 -2.00 0.00 0.00 0.00 179.25 177.42 2k4b s GLU 37 N -3.94 0.70 -0.09 0.00 2.56 -1.26 -5.08 118.70 111.59 2k4b s GLU 37 Ca -0.14 -0.16 0.05 0.00 0.00 0.00 0.00 54.97 54.73 2k4b s GLU 37 Cb 0.01 0.33 -0.09 0.00 2.00 0.00 0.00 34.13 36.37 2k4b s GLU 37 CO 0.53 -0.29 -0.01 -0.11 -0.56 0.00 0.00 175.26 174.82 2k4b n LEU 38 N 0.04 0.92 0.17 2.70 0.00 -1.26 -4.75 117.00 114.83 2k4b n LEU 38 Ca -0.08 -0.02 0.08 0.00 0.00 0.00 0.00 56.01 55.99 2k4b n LEU 38 Cb 0.60 0.03 0.60 0.00 0.00 0.00 0.00 43.42 44.64 2k4b n LEU 38 CO 0.12 0.35 1.10 0.16 0.00 0.00 0.00 177.39 179.12 2k4b h ILE 39 N 0.00 1.00 -0.19 1.96 3.07 -2.00 -1.05 117.51 120.29 2k4b h ILE 39 Ca -0.23 -0.04 0.06 0.00 1.55 0.00 0.00 64.86 66.19 2k4b h ILE 39 Cb 1.47 0.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.87 2k4b h ILE 39 CO -0.00 0.02 0.19 -0.37 -1.05 0.00 0.00 178.15 176.94 2k4b h VAL 40 N 0.13 0.54 -0.36 0.16 -1.51 -2.00 0.36 116.25 113.58 2k4b h VAL 40 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 2k4b h VAL 40 Cb 0.09 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2k4b h VAL 40 CO -0.01 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.56 2k4b n MET 41 N -3.92 1.97 0.00 5.19 2.81 -0.40 -4.30 117.12 118.47 2k4b n MET 41 Ca 0.02 -1.49 0.00 0.00 -1.81 0.00 0.00 57.70 54.42 2k4b n MET 41 Cb 0.32 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2k4b n MET 41 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2k4b n ARG 42 N 0.70 0.00 0.06 0.03 0.00 0.03 -4.65 116.66 112.84 2k4b n ARG 42 Ca 0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.85 2k4b n ARG 42 Cb 0.37 -0.68 -0.09 0.00 0.00 0.00 0.00 32.46 32.05 2k4b n ARG 42 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 2k4b h VAL 43 N 0.00 0.00 -0.33 5.15 3.04 -1.53 -1.84 116.25 120.73 2k4b h VAL 43 Ca 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 2k4b h VAL 43 Cb 0.88 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2k4b h VAL 43 CO 0.00 0.00 -0.10 0.40 -1.01 0.00 0.00 177.57 176.86 2k4b h ILE 44 N -0.64 1.28 -0.01 3.17 2.04 -1.84 -1.66 117.51 119.85 2k4b h ILE 44 Ca 0.01 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 2k4b h ILE 44 Cb 0.68 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2k4b h ILE 44 CO -0.32 0.38 -0.17 -0.25 0.00 0.00 0.00 178.15 177.80 2k4b h TRP 45 N 0.44 0.02 0.15 1.37 2.91 -1.82 0.52 115.95 119.55 2k4b h TRP 45 Ca 0.08 -0.00 -0.31 0.00 1.13 0.00 0.00 58.89 59.79 2k4b h TRP 45 Cb 0.61 -0.01 0.03 0.00 -0.51 0.00 0.00 29.16 29.29 2k4b h TRP 45 CO 0.05 0.19 -1.29 1.03 -1.03 0.00 0.00 178.44 177.39 2k4b h SER 46 N 0.02 0.87 0.58 2.65 0.87 -0.87 -3.35 113.55 114.32 2k4b h SER 46 Ca 0.00 -0.85 -0.03 0.00 -1.23 0.00 0.00 61.79 59.69 2k4b h SER 46 Cb 0.31 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2k4b h SER 46 CO 0.02 1.64 -0.28 0.25 -0.53 0.00 0.00 176.83 177.93 2k4b h LEU 47 N 0.24 -0.66 0.00 2.23 5.85 -1.01 -3.49 115.31 118.46 2k4b h LEU 47 Ca -0.20 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2k4b h LEU 47 Cb 1.97 0.17 0.00 0.00 0.37 0.00 0.00 40.66 43.17 2k4b h LEU 47 CO 0.25 -0.32 0.00 0.61 -0.34 0.00 0.00 178.44 178.63 2k4b n GLY 48 N -0.74 2.41 3.19 3.75 0.00 0.15 -5.04 105.19 108.91 2k4b n GLY 48 Ca -0.12 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2k4b n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4b s GLU 49 N 0.00 0.64 0.02 1.61 -1.05 -1.26 -4.23 118.70 114.43 2k4b s GLU 49 Ca 0.00 -0.37 -0.01 0.00 -0.15 0.00 0.00 54.97 54.44 2k4b s GLU 49 Cb 0.00 0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2k4b s GLU 49 CO 0.00 -0.18 0.00 0.00 0.95 0.00 0.00 175.26 176.03 2k4b s ALA 50 N -1.73 0.05 0.61 -0.84 0.00 -0.49 -4.99 121.76 114.39 2k4b s ALA 50 Ca -0.11 -0.54 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 2k4b s ALA 50 Cb -0.05 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2k4b s ALA 50 CO 0.01 -0.18 0.96 1.03 0.00 0.00 0.00 175.76 177.58 2k4b s ARG 51 N -1.58 3.05 0.26 0.00 1.81 -1.26 -0.27 118.95 120.97 2k4b s ARG 51 Ca -0.15 0.24 -0.04 0.00 -1.72 0.00 0.00 55.73 54.06 2k4b s ARG 51 Cb -0.09 -2.19 0.34 0.00 -0.45 0.00 0.00 34.95 32.57 2k4b s ARG 51 CO -0.01 -0.72 1.92 -0.24 -0.68 0.00 0.00 175.30 175.57 2k4b h VAL 52 N -0.28 1.19 0.00 3.52 3.04 -1.92 -0.46 116.25 121.34 2k4b h VAL 52 Ca -0.45 -0.43 -0.04 0.00 -1.01 0.00 0.00 66.70 64.77 2k4b h VAL 52 Cb 1.24 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 2k4b h VAL 52 CO 0.62 0.23 -0.17 -0.78 -1.01 0.00 0.00 177.57 176.45 2k4b h ASP 53 N 1.26 0.00 0.05 3.17 3.58 -1.94 -3.11 116.42 119.42 2k4b h ASP 53 Ca 0.38 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 2k4b h ASP 53 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2k4b h ASP 53 CO -0.11 0.17 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.32 2k4b h GLU 54 N 0.00 -0.06 -0.64 0.28 4.22 -1.51 -2.79 114.58 114.08 2k4b h GLU 54 Ca -0.00 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 2k4b h GLU 54 Cb 0.69 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2k4b h GLU 54 CO 0.02 0.58 0.38 -0.84 -2.18 0.00 0.00 179.01 176.97 2k4b h ILE 55 N -0.85 1.03 -0.35 2.32 3.07 -1.27 -0.49 117.51 120.97 2k4b h ILE 55 Ca -0.01 -0.25 -0.03 0.00 1.55 0.00 0.00 64.86 66.12 2k4b h ILE 55 Cb 0.67 0.25 -0.02 0.00 -0.27 0.00 0.00 36.82 37.45 2k4b h ILE 55 CO 0.01 0.13 0.07 0.22 -1.05 0.00 0.00 178.15 177.53 2k4b h TYR 56 N 0.72 0.51 0.00 0.16 3.20 -1.68 -2.76 116.97 117.12 2k4b h TYR 56 Ca 0.27 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2k4b h TYR 56 Cb 0.09 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2k4b h TYR 56 CO -0.06 0.46 -0.07 0.00 -1.64 0.00 0.00 178.16 176.85 2k4b h ALA 57 N 1.59 1.27 0.00 1.82 0.00 -0.80 -2.00 119.26 121.15 2k4b h ALA 57 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k4b h ALA 57 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k4b h ALA 57 CO -0.00 0.08 -0.15 1.96 0.00 0.00 0.00 179.25 181.14 2k4b h GLN 58 N 0.00 0.00 -6.34 0.00 7.50 -1.23 -3.45 115.11 111.60 2k4b h GLN 58 Ca -0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 2k4b h GLN 58 Cb 0.22 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.66 2k4b h GLN 58 CO 0.01 0.00 0.74 0.42 -1.50 0.00 0.00 178.83 178.50 2k4b s ILE 59 N -3.19 4.31 0.52 2.54 1.01 -0.75 -5.05 121.20 120.58 2k4b s ILE 59 Ca 0.07 0.83 -0.19 0.00 0.00 0.00 0.00 60.65 61.36 2k4b s ILE 59 Cb 0.08 -4.55 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 2k4b s ILE 59 CO 0.67 -1.01 1.06 -2.16 0.00 0.00 0.00 174.94 173.50 2k4b s PRO 60 N 4.17 3.61 0.00 2.79 0.04 -1.26 -4.94 135.00 139.41 2k4b s PRO 60 Ca 0.40 1.40 0.12 0.00 0.04 0.00 0.00 61.00 62.96 2k4b s PRO 60 Cb -0.09 -2.06 0.54 0.00 0.04 0.00 0.00 34.50 32.92 2k4b s PRO 60 CO 0.27 -0.60 1.35 0.94 0.04 0.00 0.00 177.00 178.99 2k4b n GLN 61 N -1.23 0.06 0.15 4.56 0.00 -1.26 -2.43 117.38 117.23 2k4b n GLN 61 Ca 0.10 0.26 0.19 0.00 -0.00 0.00 0.00 57.00 57.54 2k4b n GLN 61 Cb 0.52 -1.50 0.76 0.00 0.00 0.00 0.00 30.24 30.02 2k4b n GLN 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2k4b h GLU 62 N 0.00 0.00 0.00 3.69 5.08 -2.01 -2.05 114.58 119.29 2k4b h GLU 62 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2k4b h GLU 62 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2k4b h GLU 62 CO 0.00 0.00 -1.28 -0.07 -1.00 0.00 0.00 179.01 176.66 2k4b h LEU 63 N 0.00 0.00 0.00 1.33 3.38 -1.87 -3.49 115.31 114.66 2k4b h LEU 63 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k4b h LEU 63 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2k4b h LEU 63 CO -0.00 0.56 0.00 -0.62 0.09 0.00 0.00 178.44 178.47 2k4b n GLU 64 N -2.93 0.00 -2.10 1.13 1.02 -0.77 -5.02 120.64 111.96 2k4b n GLU 64 Ca -0.08 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 2k4b n GLU 64 Cb 0.82 -2.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 2k4b n GLU 64 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k4b s TRP 65 N -3.53 2.80 0.62 -0.32 0.52 -1.26 -5.03 118.94 112.73 2k4b s TRP 65 Ca 0.00 0.67 -0.14 0.00 0.02 0.00 0.00 56.10 56.64 2k4b s TRP 65 Cb 0.00 -3.78 -0.03 0.00 -1.15 0.00 0.00 33.47 28.51 2k4b s TRP 65 CO 0.00 -2.96 1.06 -1.54 0.02 0.00 0.00 176.95 173.53 2k4b s SER 66 N 1.86 5.70 0.57 2.95 1.04 -1.26 -4.95 113.70 119.60 2k4b s SER 66 Ca 0.68 1.76 0.26 0.00 0.48 0.00 0.00 55.95 59.12 2k4b s SER 66 Cb -0.36 -2.52 1.56 0.00 0.10 0.00 0.00 66.02 64.79 2k4b s SER 66 CO 0.29 -1.23 2.10 0.25 0.98 0.00 0.00 173.24 175.64 2k4b h LEU 67 N 0.14 0.00 -0.95 2.42 6.46 -2.01 0.86 115.31 122.23 2k4b h LEU 67 Ca -0.46 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.21 2k4b h LEU 67 Cb 1.22 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.13 2k4b h LEU 67 CO 0.57 0.00 -0.16 0.00 -0.62 0.00 0.00 178.44 178.23 2k4b h ALA 68 N 1.81 1.12 -0.12 1.25 0.00 -2.01 -3.34 119.26 117.97 2k4b h ALA 68 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k4b h ALA 68 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k4b h ALA 68 CO -0.00 0.55 0.04 1.15 0.00 0.00 0.00 179.25 180.99 2k4b h THR 69 N 0.52 1.16 -0.57 0.00 2.02 -1.19 -1.69 112.91 113.17 2k4b h THR 69 Ca 0.09 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 66.85 2k4b h THR 69 Cb 0.58 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 2k4b h THR 69 CO 0.04 0.15 0.23 1.62 0.37 0.00 0.00 175.52 177.92 2k4b h VAL 70 N 0.02 0.82 -0.67 3.16 3.04 -1.70 -1.97 116.25 118.95 2k4b h VAL 70 Ca 0.04 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 2k4b h VAL 70 Cb 0.19 0.36 -0.03 0.00 -2.01 0.00 0.00 31.29 29.80 2k4b h VAL 70 CO -0.00 0.08 0.27 0.11 -1.01 0.00 0.00 177.57 177.02 2k4b h LYS 71 N 0.42 0.99 -0.13 4.17 1.57 -1.60 0.62 116.57 122.62 2k4b h LYS 71 Ca 0.28 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2k4b h LYS 71 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2k4b h LYS 71 CO -0.26 0.83 -0.32 0.00 -0.57 0.00 0.00 179.45 179.12 2k4b h THR 72 N 0.94 1.27 0.13 -0.16 1.03 -1.13 -2.54 112.91 112.46 2k4b h THR 72 Ca 0.22 -1.31 -0.26 0.00 -0.01 0.00 0.00 66.41 65.05 2k4b h THR 72 Cb 0.20 1.53 0.03 0.00 -1.07 0.00 0.00 68.15 68.83 2k4b h THR 72 CO -0.02 0.40 -1.11 0.25 -0.01 0.00 0.00 175.52 175.03 2k4b h LEU 73 N 0.23 0.76 -0.60 0.00 6.46 -0.74 -3.13 115.31 118.29 2k4b h LEU 73 Ca 0.03 -0.85 0.12 0.00 -0.12 0.00 0.00 57.88 57.06 2k4b h LEU 73 Cb 0.69 -0.24 -0.11 0.00 -0.73 0.00 0.00 40.66 40.27 2k4b h LEU 73 CO 0.05 1.54 -0.06 -0.07 -0.62 0.00 0.00 178.44 179.28 2k4b h LEU 74 N 0.08 -0.37 -2.00 2.25 3.38 -0.93 0.11 115.31 117.83 2k4b h LEU 74 Ca -0.17 0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.12 2k4b h LEU 74 Cb 1.82 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 42.85 2k4b h LEU 74 CO 0.21 -0.14 0.45 1.23 0.09 0.00 0.00 178.44 180.28 2k4b h GLY 75 N 0.07 0.00 0.94 0.83 0.00 -1.40 0.18 103.07 103.69 2k4b h GLY 75 Ca 0.30 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.40 2k4b h GLY 75 CO -0.55 0.00 -0.98 3.21 0.00 0.00 0.00 176.54 178.22 2k4b h ARG 76 N 0.00 0.45 -0.04 4.80 2.47 -0.78 -2.94 114.38 118.34 2k4b h ARG 76 Ca 0.28 -0.65 0.02 0.00 -1.26 0.00 0.00 59.98 58.37 2k4b h ARG 76 Cb 1.18 0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 29.70 2k4b h ARG 76 CO -0.00 1.28 -0.10 -0.07 0.56 0.00 0.00 179.97 181.64 2k4b h LEU 77 N -0.06 -0.29 -1.35 3.04 3.38 0.00 -3.02 115.31 117.02 2k4b h LEU 77 Ca -0.16 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2k4b h LEU 77 Cb 1.72 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 2k4b h LEU 77 CO 0.19 -0.14 0.02 -0.37 0.09 0.00 0.00 178.44 178.23 2k4b h VAL 78 N -0.15 1.17 0.00 1.22 -1.51 -0.89 -2.26 116.25 113.83 2k4b h VAL 78 Ca 0.05 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2k4b h VAL 78 Cb 0.22 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2k4b h VAL 78 CO -0.13 0.23 0.00 0.50 -1.23 0.00 0.00 177.57 176.93 2k4b h LYS 79 N 0.44 0.00 0.00 5.19 1.63 -1.37 -3.03 116.57 119.43 2k4b h LYS 79 Ca 0.10 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 2k4b h LYS 79 Cb 0.26 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 2k4b h LYS 79 CO 0.00 0.00 -0.33 1.17 -3.45 0.00 0.00 179.45 176.85 2k4b n LYS 80 N -2.78 0.96 -1.49 1.90 4.81 -0.89 -5.02 118.16 115.64 2k4b n LYS 80 Ca -0.02 -2.37 -0.17 0.00 -0.87 0.00 0.00 58.31 54.87 2k4b n LYS 80 Cb 0.06 -1.17 -0.07 0.00 0.02 0.00 0.00 35.03 33.87 2k4b n LYS 80 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k4b n GLU 81 N -0.87 -1.52 -0.01 1.64 4.71 -1.15 -4.88 120.64 118.56 2k4b n GLU 81 Ca 0.12 1.09 -0.02 0.00 -0.01 0.00 0.00 57.16 58.34 2k4b n GLU 81 Cb 0.72 -5.47 0.24 0.00 -1.01 0.00 0.00 31.44 25.92 2k4b n GLU 81 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 2k4b h MET 82 N 0.00 0.54 0.00 3.49 2.86 -1.70 -3.46 114.93 116.65 2k4b h MET 82 Ca -0.35 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.03 2k4b h MET 82 Cb 1.26 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 2k4b h MET 82 CO 0.52 0.65 0.13 1.47 1.06 0.00 0.00 176.91 180.74 2k4b n LEU 83 N -4.20 0.00 -4.38 1.22 -0.00 -1.26 -5.03 117.00 103.35 2k4b n LEU 83 Ca 0.01 -2.50 -0.21 0.00 -0.00 0.00 0.00 56.01 53.31 2k4b n LEU 83 Cb 0.33 3.21 -0.09 0.00 -0.00 0.00 0.00 43.42 46.87 2k4b n LEU 83 CO 0.41 -0.75 -0.20 -0.44 -0.00 0.00 0.00 177.39 176.42 2k4b s SER 84 N -2.97 1.92 -0.04 1.45 0.01 -0.62 -4.24 113.70 109.22 2k4b s SER 84 Ca 0.19 -1.59 -0.12 0.00 1.31 0.00 0.00 55.95 55.73 2k4b s SER 84 Cb -0.03 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.61 2k4b s SER 84 CO 0.14 -0.89 0.28 0.28 0.41 0.00 0.00 173.24 173.45 2k4b s THR 85 N -3.47 0.05 0.16 1.44 -1.32 -1.26 -0.59 115.64 110.65 2k4b s THR 85 Ca 0.33 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 2k4b s THR 85 Cb 0.04 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 2k4b s THR 85 CO 0.17 -0.21 0.05 -1.83 -2.21 0.00 0.00 174.62 170.59 2k4b s GLU 86 N -0.95 1.06 -0.11 7.08 -1.05 -0.31 -4.97 118.70 119.45 2k4b s GLU 86 Ca -0.10 -1.52 0.00 0.00 -0.15 0.00 0.00 54.97 53.20 2k4b s GLU 86 Cb -0.05 0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 2k4b s GLU 86 CO 0.03 -0.23 -0.12 0.21 0.95 0.00 0.00 175.26 176.10 2k4b s LYS 87 N -4.01 3.14 -0.68 -4.83 2.20 -1.26 -0.64 119.74 113.66 2k4b s LYS 87 Ca 0.27 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2k4b s LYS 87 Cb 0.07 -2.60 0.17 0.00 -1.51 0.00 0.00 37.83 33.96 2k4b s LYS 87 CO 0.05 0.36 0.48 -1.21 -0.36 0.00 0.00 175.35 174.67 2k4b s GLU 88 N -0.02 2.56 0.00 4.03 0.41 -0.52 -4.98 118.70 120.18 2k4b s GLU 88 Ca -0.03 -2.89 0.00 0.00 -0.41 0.00 0.00 54.97 51.64 2k4b s GLU 88 Cb -0.14 -3.62 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 2k4b s GLU 88 CO 0.04 -1.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.02 2k4b n GLY 89 N 2.82 0.07 0.00 -1.39 0.00 -1.26 -3.07 105.19 102.36 2k4b n GLY 89 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 2k4b n GLY 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k4b n ARG 90 N 0.00 3.42 -4.58 1.61 0.63 -1.26 -5.07 116.66 111.41 2k4b n ARG 90 Ca 0.00 -0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2k4b n ARG 90 Cb 0.00 -1.02 -0.09 0.00 0.45 0.00 0.00 32.46 31.80 2k4b n ARG 90 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2k4b s LYS 91 N -2.03 2.11 0.12 -0.14 1.02 -1.17 -5.16 119.74 114.49 2k4b s LYS 91 Ca -0.00 -2.20 0.08 0.00 0.02 0.00 0.00 55.97 53.87 2k4b s LYS 91 Cb 0.00 -1.66 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 2k4b s LYS 91 CO 0.03 -0.22 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.05 2k4b s PHE 92 N -2.77 2.64 -0.10 3.18 0.40 -1.26 -1.44 117.98 118.63 2k4b s PHE 92 Ca 0.23 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2k4b s PHE 92 Cb 0.05 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 2k4b s PHE 92 CO 0.12 0.42 -0.13 0.08 0.70 0.00 0.00 175.22 176.42 2k4b s VAL 93 N -1.26 3.14 -0.41 -0.44 1.01 0.19 -2.83 120.40 119.79 2k4b s VAL 93 Ca 0.21 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2k4b s VAL 93 Cb -0.11 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.03 2k4b s VAL 93 CO 0.13 0.55 0.29 -0.31 0.00 0.00 0.00 175.10 175.76 2k4b s TYR 94 N -0.14 3.25 0.19 5.22 2.02 0.63 -1.17 117.35 127.36 2k4b s TYR 94 Ca -0.01 -0.82 0.11 0.00 -0.37 0.00 0.00 57.07 55.99 2k4b s TYR 94 Cb -0.13 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 2k4b s TYR 94 CO 0.03 -0.66 -0.21 1.03 -1.57 0.00 0.00 175.55 174.17 2k4b s ARG 95 N 1.62 1.64 -0.24 -0.62 0.52 0.24 -1.39 118.95 120.71 2k4b s ARG 95 Ca 0.04 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 2k4b s ARG 95 Cb -0.20 -1.91 0.22 0.00 0.52 0.00 0.00 34.95 33.58 2k4b s ARG 95 CO 0.08 0.40 1.79 -0.35 0.02 0.00 0.00 175.30 177.25 2k4b n PRO 96 N 0.19 1.63 -1.53 3.54 -0.04 -1.26 -1.58 135.00 135.95 2k4b n PRO 96 Ca -0.12 -1.31 -0.42 0.00 -0.04 0.00 0.00 63.50 61.61 2k4b n PRO 96 Cb 0.56 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2k4b n PRO 96 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k4b n LEU 97 N 0.26 2.26 -4.74 1.53 4.32 -1.26 -4.95 117.00 114.43 2k4b n LEU 97 Ca 0.25 -0.04 -0.28 0.00 -0.02 0.00 0.00 56.01 55.93 2k4b n LEU 97 Cb 0.71 -1.42 -0.07 0.00 -1.62 0.00 0.00 43.42 41.02 2k4b n LEU 97 CO 0.30 -1.06 -0.28 0.00 -1.22 0.00 0.00 177.39 175.13 2k4b s MET 98 N 7.41 2.69 0.00 3.23 0.23 -1.26 -4.69 119.30 126.91 2k4b s MET 98 Ca 1.06 -0.89 0.00 0.00 -1.03 0.00 0.00 55.69 54.83 2k4b s MET 98 Cb -0.51 -2.56 0.00 0.00 -1.53 0.00 0.00 34.83 30.23 2k4b s MET 98 CO 0.37 0.50 0.00 -0.85 -2.03 0.00 0.00 175.02 173.01