#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 0.29 0.32 4.37 3.84 -1.26 -5.21 114.94 117.29 2k4b s ASN 32 Ca 0.00 -1.19 0.04 0.00 0.21 0.00 0.00 52.86 51.92 2k4b s ASN 32 Cb 0.00 0.73 -0.02 0.00 -0.55 0.00 0.00 41.25 41.41 2k4b s ASN 32 CO 0.00 -1.44 0.32 0.68 -2.79 0.00 0.00 177.10 173.87 2k4b s VAL 33 N -2.98 0.00 -0.15 -5.21 -7.23 -1.26 -5.11 120.40 98.45 2k4b s VAL 33 Ca 0.21 -1.89 0.24 0.00 -1.81 0.00 0.00 61.98 58.73 2k4b s VAL 33 Cb -0.03 -2.53 0.47 0.00 0.56 0.00 0.00 36.38 34.85 2k4b s VAL 33 CO 0.14 0.00 1.14 -0.24 -0.31 0.00 0.00 175.10 175.83 2k4b n SER 34 N -1.39 1.43 -4.41 4.85 2.88 -1.26 -5.09 113.62 110.63 2k4b n SER 34 Ca 0.05 -2.11 -0.22 0.00 -1.33 0.00 0.00 58.87 55.27 2k4b n SER 34 Cb 0.62 -0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 63.58 2k4b n SER 34 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2k4b s ASN 35 N -3.04 3.16 -0.07 -3.46 -0.87 -1.26 -5.09 114.94 104.31 2k4b s ASN 35 Ca 0.31 -1.00 -0.22 0.00 -1.57 0.00 0.00 52.86 50.38 2k4b s ASN 35 Cb 0.35 -0.23 -0.17 0.00 -0.02 0.00 0.00 41.25 41.18 2k4b s ASN 35 CO -0.09 -0.03 0.83 0.00 -2.57 0.00 0.00 177.10 175.23 2k4b h ALA 36 N 2.52 -0.12 -1.42 0.60 0.00 -1.98 -3.49 119.26 115.36 2k4b h ALA 36 Ca -0.40 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 54.40 2k4b h ALA 36 Cb 1.24 0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 2k4b h ALA 36 CO 0.59 -0.20 0.71 -1.21 0.00 0.00 0.00 179.25 179.14 2k4b s GLU 37 N -3.11 0.39 0.37 0.00 0.41 -1.26 -5.06 118.70 110.45 2k4b s GLU 37 Ca -0.13 0.05 0.20 0.00 -0.41 0.00 0.00 54.97 54.67 2k4b s GLU 37 Cb -0.00 0.18 0.56 0.00 -1.78 0.00 0.00 34.13 33.09 2k4b s GLU 37 CO 0.51 -0.13 1.67 1.37 -0.49 0.00 0.00 175.26 178.18 2k4b h LEU 38 N 2.30 0.00 -0.94 1.80 -0.00 -2.01 -3.40 115.31 113.05 2k4b h LEU 38 Ca -0.14 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.84 2k4b h LEU 38 Cb 1.17 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.71 2k4b h LEU 38 CO 0.27 0.34 -0.51 -0.38 -0.00 0.00 0.00 178.44 178.16 2k4b n ILE 39 N -3.35 -0.61 0.23 0.15 5.41 -1.26 -0.69 119.36 119.24 2k4b n ILE 39 Ca 0.01 2.27 0.11 0.00 1.00 0.00 0.00 62.75 66.13 2k4b n ILE 39 Cb 0.55 -2.85 0.50 0.00 -0.71 0.00 0.00 39.64 37.14 2k4b n ILE 39 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 2k4b h VAL 40 N 0.00 0.52 0.15 1.39 -1.51 -1.96 -3.06 116.25 111.78 2k4b h VAL 40 Ca 0.20 -1.02 -0.32 0.00 -1.23 0.00 0.00 66.70 64.33 2k4b h VAL 40 Cb 0.43 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2k4b h VAL 40 CO -0.90 0.20 -1.56 -0.03 -1.23 0.00 0.00 177.57 174.05 2k4b h MET 41 N 0.00 0.32 -0.50 5.19 1.85 -1.17 -3.26 114.93 117.36 2k4b h MET 41 Ca -0.00 -0.55 0.01 0.00 -0.61 0.00 0.00 59.70 58.55 2k4b h MET 41 Cb 0.69 0.20 -0.03 0.00 0.43 0.00 0.00 31.60 32.90 2k4b h MET 41 CO 0.03 1.21 0.33 -0.09 -0.40 0.00 0.00 176.91 177.99 2k4b h ARG 42 N 0.09 0.65 0.00 0.39 1.12 -1.02 -3.11 114.38 112.49 2k4b h ARG 42 Ca -0.26 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.54 2k4b h ARG 42 Cb 2.05 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.86 2k4b h ARG 42 CO 0.18 0.43 -0.20 -0.39 -3.11 0.00 0.00 179.97 176.88 2k4b h VAL 43 N 0.67 0.94 -0.48 0.20 -1.51 -1.68 -3.41 116.25 110.98 2k4b h VAL 43 Ca 0.19 -1.77 -0.07 0.00 -1.23 0.00 0.00 66.70 63.82 2k4b h VAL 43 Cb -0.06 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 2k4b h VAL 43 CO -0.04 0.32 0.02 0.40 -1.23 0.00 0.00 177.57 177.04 2k4b h ILE 44 N -1.00 1.24 -0.95 7.19 2.04 -1.62 -2.78 117.51 121.62 2k4b h ILE 44 Ca -0.04 -0.96 0.21 0.00 1.00 0.00 0.00 64.86 65.07 2k4b h ILE 44 Cb 0.67 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 2k4b h ILE 44 CO -0.03 0.34 0.62 -0.25 0.00 0.00 0.00 178.15 178.83 2k4b h TRP 45 N 0.73 0.67 0.21 1.37 7.01 -1.77 -2.84 115.95 121.34 2k4b h TRP 45 Ca 0.15 0.02 -0.27 0.00 2.11 0.00 0.00 58.89 60.90 2k4b h TRP 45 Cb 0.42 -0.20 0.03 0.00 -2.10 0.00 0.00 29.16 27.30 2k4b h TRP 45 CO 0.02 0.16 -1.20 1.03 -2.79 0.00 0.00 178.44 175.66 2k4b h SER 46 N 0.49 0.70 0.05 2.65 0.87 -1.72 -3.38 113.55 113.20 2k4b h SER 46 Ca 0.51 -0.93 -0.20 0.00 -1.23 0.00 0.00 61.79 59.95 2k4b h SER 46 Cb 1.16 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2k4b h SER 46 CO -0.24 1.58 -0.71 0.25 -0.53 0.00 0.00 176.83 177.18 2k4b h LEU 47 N -0.06 0.70 0.00 2.23 6.46 -1.58 -3.49 115.31 119.56 2k4b h LEU 47 Ca -0.21 -0.44 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 2k4b h LEU 47 Cb 1.95 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 2k4b h LEU 47 CO 0.23 1.20 0.00 0.61 -0.62 0.00 0.00 178.44 179.86 2k4b n GLY 48 N 0.55 2.29 2.85 3.75 0.00 -1.14 -4.96 105.19 108.54 2k4b n GLY 48 Ca -0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 2k4b n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4b s GLU 49 N 0.00 1.19 -0.13 1.61 8.01 -1.26 -4.36 118.70 123.76 2k4b s GLU 49 Ca 0.00 -0.23 0.01 0.00 0.01 0.00 0.00 54.97 54.76 2k4b s GLU 49 Cb 0.00 -1.56 -0.01 0.00 -4.31 0.00 0.00 34.13 28.25 2k4b s GLU 49 CO 0.00 -0.34 -0.16 0.00 0.01 0.00 0.00 175.26 174.76 2k4b s ALA 50 N 1.77 2.47 0.73 5.21 0.00 -0.57 -4.93 121.76 126.45 2k4b s ALA 50 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 2k4b s ALA 50 Cb -0.13 -1.11 0.04 0.00 0.00 0.00 0.00 23.12 21.92 2k4b s ALA 50 CO -0.07 0.19 1.10 1.03 0.00 0.00 0.00 175.76 178.01 2k4b s ARG 51 N 0.46 2.44 0.27 0.00 0.52 -1.26 -0.18 118.95 121.20 2k4b s ARG 51 Ca -0.12 0.19 -0.03 0.00 -0.52 0.00 0.00 55.73 55.25 2k4b s ARG 51 Cb -0.16 -2.04 0.39 0.00 0.52 0.00 0.00 34.95 33.66 2k4b s ARG 51 CO 0.05 -1.24 1.90 -0.24 0.02 0.00 0.00 175.30 175.80 2k4b h VAL 52 N -0.75 1.14 0.00 3.52 3.04 -1.82 0.19 116.25 121.56 2k4b h VAL 52 Ca -0.45 -0.41 -0.07 0.00 -1.01 0.00 0.00 66.70 64.75 2k4b h VAL 52 Cb 1.29 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 2k4b h VAL 52 CO 0.64 0.22 -0.33 -2.24 -1.01 0.00 0.00 177.57 174.85 2k4b h ASP 53 N 1.21 0.00 0.10 3.17 2.03 -1.93 -3.11 116.42 117.89 2k4b h ASP 53 Ca 0.40 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.70 2k4b h ASP 53 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 2k4b h ASP 53 CO -0.14 0.33 -0.05 -0.33 -1.03 0.00 0.00 179.24 178.02 2k4b h GLU 54 N 0.00 -0.13 -0.99 4.15 4.39 -1.43 -1.94 114.58 118.64 2k4b h GLU 54 Ca -0.00 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.82 2k4b h GLU 54 Cb 0.88 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.48 2k4b h GLU 54 CO 0.04 0.30 0.62 -0.84 -1.16 0.00 0.00 179.01 177.97 2k4b h ILE 55 N -0.95 0.93 -0.48 3.13 3.07 -1.16 -0.06 117.51 121.99 2k4b h ILE 55 Ca -0.01 -0.34 -0.12 0.00 1.55 0.00 0.00 64.86 65.93 2k4b h ILE 55 Cb 0.49 -0.15 -0.01 0.00 -0.27 0.00 0.00 36.82 36.87 2k4b h ILE 55 CO 0.02 0.18 -0.19 0.22 -1.05 0.00 0.00 178.15 177.34 2k4b h TYR 56 N 0.99 1.07 -0.05 0.16 3.20 -1.65 -3.18 116.97 117.50 2k4b h TYR 56 Ca 0.48 -0.24 0.02 0.00 3.14 0.00 0.00 58.73 62.13 2k4b h TYR 56 Cb 0.46 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 2k4b h TYR 56 CO -0.01 1.04 0.09 0.00 -1.64 0.00 0.00 178.16 177.64 2k4b h ALA 57 N 0.96 1.44 -0.00 1.82 0.00 -0.17 -2.30 119.26 121.00 2k4b h ALA 57 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k4b h ALA 57 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k4b h ALA 57 CO 0.06 -0.12 -0.00 1.04 0.00 0.00 0.00 179.25 180.22 2k4b n GLN 58 N -3.52 1.15 -3.44 0.00 3.00 -1.10 -4.80 117.38 108.67 2k4b n GLN 58 Ca -0.02 -0.25 -0.43 0.00 -0.01 0.00 0.00 57.00 56.29 2k4b n GLN 58 Cb 0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 28.86 2k4b n GLN 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2k4b s ILE 59 N -2.03 4.76 0.71 5.09 1.01 -0.87 -5.07 121.20 124.80 2k4b s ILE 59 Ca 0.44 -1.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.09 2k4b s ILE 59 Cb 0.22 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2k4b s ILE 59 CO 0.37 -0.86 1.10 -2.16 0.00 0.00 0.00 174.94 173.38 2k4b s PRO 60 N 1.13 2.84 0.65 2.79 0.04 -1.26 -4.99 135.00 136.21 2k4b s PRO 60 Ca 0.08 0.45 0.42 0.00 0.04 0.00 0.00 61.00 61.99 2k4b s PRO 60 Cb -0.24 -2.02 2.33 0.00 0.04 0.00 0.00 34.50 34.60 2k4b s PRO 60 CO -0.01 -1.04 2.35 1.96 0.04 0.00 0.00 177.00 180.30 2k4b h GLN 61 N -0.66 0.00 -0.27 4.56 4.20 -1.98 -2.66 115.11 118.29 2k4b h GLN 61 Ca -0.45 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.34 2k4b h GLN 61 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 2k4b h GLN 61 CO 0.64 0.00 0.37 1.49 -0.67 0.00 0.00 178.83 180.66 2k4b h GLU 62 N 0.00 0.00 0.00 1.46 4.81 -2.00 -2.29 114.58 116.55 2k4b h GLU 62 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2k4b h GLU 62 Cb 0.01 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2k4b h GLU 62 CO 0.00 0.00 -1.55 -0.07 -0.73 0.00 0.00 179.01 176.66 2k4b h LEU 63 N 0.00 0.00 0.00 1.64 3.38 -1.87 -3.48 115.31 114.98 2k4b h LEU 63 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k4b h LEU 63 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2k4b h LEU 63 CO -0.00 0.93 0.00 -0.62 0.09 0.00 0.00 178.44 178.84 2k4b n GLU 64 N -3.07 -0.70 -1.31 1.13 1.02 -0.87 -5.04 120.64 111.81 2k4b n GLU 64 Ca -0.13 0.17 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 2k4b n GLU 64 Cb 1.00 -3.73 0.14 0.00 -0.02 0.00 0.00 31.44 28.84 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 -1.74 2.38 0.30 -0.32 0.52 -1.26 -5.11 118.94 113.71 2k4b s TRP 65 Ca 0.00 1.09 0.05 0.00 0.02 0.00 0.00 56.10 57.26 2k4b s TRP 65 Cb 0.00 -3.22 -0.06 0.00 -1.15 0.00 0.00 33.47 29.04 2k4b s TRP 65 CO 0.00 -2.43 0.02 0.45 0.02 0.00 0.00 176.95 175.01 2k4b s SER 66 N -3.62 2.48 0.19 2.95 0.15 -1.26 -5.01 113.70 109.59 2k4b s SER 66 Ca 0.64 -1.31 -0.13 0.00 0.70 0.00 0.00 55.95 55.85 2k4b s SER 66 Cb -0.17 -0.11 0.22 0.00 -1.71 0.00 0.00 66.02 64.25 2k4b s SER 66 CO 0.56 -0.52 1.68 0.25 1.20 0.00 0.00 173.24 176.41 2k4b h LEU 67 N 2.19 -0.23 -1.24 3.45 6.46 -1.99 -1.60 115.31 122.35 2k4b h LEU 67 Ca -0.40 0.13 0.16 0.00 -0.12 0.00 0.00 57.88 57.64 2k4b h LEU 67 Cb 1.24 0.23 -0.08 0.00 -0.73 0.00 0.00 40.66 41.32 2k4b h LEU 67 CO 0.69 -0.08 0.59 0.00 -0.62 0.00 0.00 178.44 179.02 2k4b h ALA 68 N 1.48 1.82 0.50 1.25 0.00 -2.00 -2.34 119.26 119.98 2k4b h ALA 68 Ca 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2k4b h ALA 68 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k4b h ALA 68 CO -0.45 -0.10 -0.27 1.15 0.00 0.00 0.00 179.25 179.59 2k4b h THR 69 N 0.70 0.45 -0.68 0.00 2.02 -1.70 -2.17 112.91 111.53 2k4b h THR 69 Ca 0.48 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.65 2k4b h THR 69 Cb 0.79 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2k4b h THR 69 CO -0.24 0.00 0.37 1.62 0.37 0.00 0.00 175.52 177.64 2k4b h VAL 70 N -0.72 1.21 -0.46 3.16 3.04 -1.36 -2.04 116.25 119.08 2k4b h VAL 70 Ca -0.06 -0.53 0.08 0.00 -1.01 0.00 0.00 66.70 65.18 2k4b h VAL 70 Cb 0.57 0.32 -0.07 0.00 -2.01 0.00 0.00 31.29 30.10 2k4b h VAL 70 CO 0.09 0.23 0.05 0.11 -1.01 0.00 0.00 177.57 177.04 2k4b h LYS 71 N 0.93 0.17 0.00 4.17 1.57 -1.37 -0.20 116.57 121.84 2k4b h LYS 71 Ca 0.24 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2k4b h LYS 71 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2k4b h LYS 71 CO -0.04 0.11 -0.35 0.00 -0.57 0.00 0.00 179.45 178.60 2k4b h THR 72 N 0.17 1.17 -0.11 -0.16 1.03 -1.19 -3.06 112.91 110.75 2k4b h THR 72 Ca 0.23 -1.22 -0.15 0.00 -0.01 0.00 0.00 66.41 65.26 2k4b h THR 72 Cb 0.32 1.67 0.01 0.00 -1.07 0.00 0.00 68.15 69.08 2k4b h THR 72 CO -0.34 0.34 -0.53 0.25 -0.01 0.00 0.00 175.52 175.23 2k4b h LEU 73 N 0.00 0.66 -0.45 0.00 6.46 -0.56 -3.23 115.31 118.19 2k4b h LEU 73 Ca -0.00 -0.64 0.09 0.00 -0.12 0.00 0.00 57.88 57.21 2k4b h LEU 73 Cb 0.65 -0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.30 2k4b h LEU 73 CO 0.05 1.19 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.90 2k4b h LEU 74 N 0.18 -0.35 -2.00 2.25 3.38 -1.02 0.03 115.31 117.77 2k4b h LEU 74 Ca -0.03 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.21 2k4b h LEU 74 Cb 1.17 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 2k4b h LEU 74 CO 0.11 -0.13 0.44 1.23 0.09 0.00 0.00 178.44 180.19 2k4b h GLY 75 N 0.03 0.00 0.61 0.83 0.00 -1.56 0.12 103.07 103.10 2k4b h GLY 75 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.39 2k4b h GLY 75 CO -0.44 0.00 -0.72 3.21 0.00 0.00 0.00 176.54 178.60 2k4b h ARG 76 N 0.00 0.27 -0.32 4.80 3.08 -1.04 -3.10 114.38 118.06 2k4b h ARG 76 Ca 0.23 -0.45 0.05 0.00 0.07 0.00 0.00 59.98 59.89 2k4b h ARG 76 Cb 1.11 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 2k4b h ARG 76 CO -0.00 1.21 0.02 -0.07 -1.07 0.00 0.00 179.97 180.06 2k4b h LEU 77 N -0.44 -0.10 -1.01 3.04 3.38 -0.08 -2.03 115.31 118.08 2k4b h LEU 77 Ca -0.12 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2k4b h LEU 77 Cb 1.56 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2k4b h LEU 77 CO 0.13 -0.01 -0.47 -0.37 0.09 0.00 0.00 178.44 177.81 2k4b h VAL 78 N 0.11 1.23 0.00 1.22 -1.51 -1.08 -2.54 116.25 113.68 2k4b h VAL 78 Ca 0.16 -1.66 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 2k4b h VAL 78 Cb 0.20 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2k4b h VAL 78 CO -0.25 0.46 0.00 0.11 -1.23 0.00 0.00 177.57 176.66 2k4b h LYS 79 N 0.00 0.00 -0.55 5.19 1.79 -1.45 -3.36 116.57 118.19 2k4b h LYS 79 Ca -0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 2k4b h LYS 79 Cb 0.88 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.45 2k4b h LYS 79 CO 0.06 0.00 0.13 1.63 -1.08 0.00 0.00 179.45 180.19 2k4b n LYS 80 N -2.91 3.39 -1.41 3.15 5.02 -0.77 -4.97 118.16 119.65 2k4b n LYS 80 Ca 0.04 -3.05 -0.14 0.00 -2.02 0.00 0.00 58.31 53.14 2k4b n LYS 80 Cb 0.48 -2.07 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 2k4b n LYS 80 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k4b n GLU 81 N -0.31 -1.47 -0.07 1.97 1.02 -1.19 -4.86 120.64 115.73 2k4b n GLU 81 Ca 0.34 0.99 -0.11 0.00 -0.02 0.00 0.00 57.16 58.36 2k4b n GLU 81 Cb 1.20 -5.33 -0.07 0.00 -0.02 0.00 0.00 31.44 27.22 2k4b n GLU 81 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2k4b h MET 82 N 0.02 0.00 -5.21 3.49 2.86 -1.80 -3.49 114.93 110.80 2k4b h MET 82 Ca -0.29 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 56.87 2k4b h MET 82 Cb 1.17 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.69 2k4b h MET 82 CO 0.43 0.58 -0.60 -0.51 1.06 0.00 0.00 176.91 177.86 2k4b s LEU 83 N -8.21 2.16 0.33 1.22 1.43 -1.23 -4.75 118.68 109.63 2k4b s LEU 83 Ca -0.16 -1.40 0.03 0.00 -1.03 0.00 0.00 54.13 51.57 2k4b s LEU 83 Cb 0.01 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 2k4b s LEU 83 CO 0.41 -0.63 0.11 -0.44 0.23 0.00 0.00 176.35 176.03 2k4b s SER 84 N -3.49 2.07 -0.07 2.29 0.01 0.02 -4.19 113.70 110.32 2k4b s SER 84 Ca 0.36 -1.52 -0.15 0.00 1.31 0.00 0.00 55.95 55.95 2k4b s SER 84 Cb 0.08 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.61 2k4b s SER 84 CO 0.15 -0.80 0.36 0.28 0.41 0.00 0.00 173.24 173.64 2k4b s THR 85 N -3.43 0.03 0.08 1.44 -1.32 -1.26 -0.88 115.64 110.29 2k4b s THR 85 Ca 0.33 -0.24 0.02 0.00 -1.21 0.00 0.00 61.69 60.59 2k4b s THR 85 Cb 0.06 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.42 2k4b s THR 85 CO 0.15 -0.13 -0.07 -1.61 -2.21 0.00 0.00 174.62 170.75 2k4b s GLU 86 N -0.65 0.72 -0.51 7.08 0.41 -0.02 -4.99 118.70 120.74 2k4b s GLU 86 Ca -0.07 -1.10 -0.21 0.00 -0.41 0.00 0.00 54.97 53.17 2k4b s GLU 86 Cb -0.04 -0.26 0.05 0.00 -1.78 0.00 0.00 34.13 32.10 2k4b s GLU 86 CO 0.03 0.01 0.74 0.21 -0.49 0.00 0.00 175.26 175.76 2k4b s LYS 87 N -2.90 3.22 0.03 1.61 2.36 -1.26 -0.25 119.74 122.55 2k4b s LYS 87 Ca 0.03 -0.58 -0.11 0.00 -2.55 0.00 0.00 55.97 52.75 2k4b s LYS 87 Cb -0.01 -4.06 0.01 0.00 -1.05 0.00 0.00 37.83 32.72 2k4b s LYS 87 CO -0.02 -1.27 0.23 -1.21 1.55 0.00 0.00 175.35 174.63 2k4b s GLU 88 N 3.11 0.69 -1.48 4.03 0.41 0.04 -4.92 118.70 120.58 2k4b s GLU 88 Ca 0.22 -0.50 -0.07 0.00 -0.41 0.00 0.00 54.97 54.20 2k4b s GLU 88 Cb -0.16 0.29 0.02 0.00 -1.78 0.00 0.00 34.13 32.50 2k4b s GLU 88 CO 0.16 -0.20 0.84 0.41 -0.49 0.00 0.00 175.26 175.97 2k4b n GLY 89 N 0.84 -0.53 2.28 -1.39 0.00 -1.26 -1.52 105.19 103.61 2k4b n GLY 89 Ca -0.20 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2k4b n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4b n ARG 90 N -4.42 -1.58 -4.12 1.61 5.12 -1.26 -4.89 116.66 107.12 2k4b n ARG 90 Ca -0.05 0.61 -0.21 0.00 -1.93 0.00 0.00 57.85 56.27 2k4b n ARG 90 Cb 0.59 -4.69 -0.07 0.00 -1.16 0.00 0.00 32.46 27.14 2k4b n ARG 90 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k4b n LYS 91 N -0.89 0.54 -3.55 5.56 5.02 -0.58 -5.16 118.16 119.10 2k4b n LYS 91 Ca -0.08 -3.07 -0.34 0.00 -2.02 0.00 0.00 58.31 52.80 2k4b n LYS 91 Cb 0.40 1.91 -0.05 0.00 -0.02 0.00 0.00 35.03 37.27 2k4b n LYS 91 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2k4b s PHE 92 N -3.01 3.55 -0.22 2.13 0.08 -1.26 -0.78 117.98 118.47 2k4b s PHE 92 Ca 0.24 0.79 -0.04 0.00 0.12 0.00 0.00 56.93 58.04 2k4b s PHE 92 Cb 0.01 -2.17 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2k4b s PHE 92 CO 0.17 0.47 -0.05 0.08 -0.10 0.00 0.00 175.22 175.79 2k4b s VAL 93 N -1.49 3.34 -0.26 -0.44 1.01 0.65 -2.10 120.40 121.12 2k4b s VAL 93 Ca 0.36 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2k4b s VAL 93 Cb -0.13 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2k4b s VAL 93 CO 0.19 0.43 0.12 -0.31 0.00 0.00 0.00 175.10 175.53 2k4b s TYR 94 N 1.45 3.16 0.03 5.22 1.51 0.75 -0.84 117.35 128.63 2k4b s TYR 94 Ca 0.05 -0.13 -0.07 0.00 -1.01 0.00 0.00 57.07 55.91 2k4b s TYR 94 Cb -0.14 -2.29 -0.00 0.00 -0.11 0.00 0.00 41.96 39.42 2k4b s TYR 94 CO -0.03 -0.22 0.14 -0.98 -1.11 0.00 0.00 175.55 173.35 2k4b s ARG 95 N 1.56 0.59 0.79 -0.62 1.70 -0.06 -1.51 118.95 121.40 2k4b s ARG 95 Ca 0.06 -0.60 -0.11 0.00 -0.47 0.00 0.00 55.73 54.62 2k4b s ARG 95 Cb -0.15 0.24 0.07 0.00 -0.57 0.00 0.00 34.95 34.53 2k4b s ARG 95 CO 0.06 -0.15 1.09 -1.25 -1.08 0.00 0.00 175.30 173.97 2k4b s PRO 96 N -2.19 2.14 0.01 3.89 0.04 -1.26 -0.80 135.00 136.83 2k4b s PRO 96 Ca -0.08 0.90 0.04 0.00 0.04 0.00 0.00 61.00 61.90 2k4b s PRO 96 Cb -0.03 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2k4b s PRO 96 CO -0.02 -1.65 -0.13 -0.51 0.04 0.00 0.00 177.00 174.73 2k4b s LEU 97 N -5.87 2.10 0.09 -3.56 2.01 -1.26 -4.84 118.68 107.35 2k4b s LEU 97 Ca 0.61 -0.34 -0.08 0.00 0.01 0.00 0.00 54.13 54.33 2k4b s LEU 97 Cb -0.16 -0.60 -0.00 0.00 0.01 0.00 0.00 46.19 45.43 2k4b s LEU 97 CO 0.56 0.09 0.19 -0.04 1.01 0.00 0.00 176.35 178.15 2k4b s MET 98 N -0.71 0.87 0.00 1.70 -1.94 -1.26 -5.07 119.30 112.89 2k4b s MET 98 Ca 0.03 -0.99 0.25 0.00 -1.71 0.00 0.00 55.69 53.26 2k4b s MET 98 Cb -0.06 0.34 1.48 0.00 2.01 0.00 0.00 34.83 38.60 2k4b s MET 98 CO 0.00 -0.28 1.84 -1.91 -0.01 0.00 0.00 175.02 174.67