#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 0.04 0.00 4.37 2.47 -1.26 -5.07 114.94 115.49 2k4b s ASN 32 Ca 0.00 -0.32 0.00 0.00 0.42 0.00 0.00 52.86 52.96 2k4b s ASN 32 Cb 0.00 0.26 0.00 0.00 -1.45 0.00 0.00 41.25 40.06 2k4b s ASN 32 CO 0.00 -0.50 0.00 0.55 -3.72 0.00 0.00 177.10 173.43 2k4b n VAL 33 N 0.91 0.00 -2.15 -5.21 3.14 -1.26 -5.06 118.33 108.70 2k4b n VAL 33 Ca -0.20 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.78 2k4b n VAL 33 Cb 0.58 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.33 2k4b n VAL 33 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2k4b s SER 34 N -0.48 5.68 0.00 6.55 0.01 -1.26 -4.72 113.70 119.48 2k4b s SER 34 Ca 0.00 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2k4b s SER 34 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k4b s SER 34 CO 0.00 -2.03 0.00 -3.20 0.41 0.00 0.00 173.24 168.42 2k4b n ASN 35 N 11.21 0.00 0.08 2.44 5.15 -1.26 -5.09 115.26 127.78 2k4b n ASN 35 Ca 0.18 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.08 2k4b n ASN 35 Cb 0.50 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.80 2k4b n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k4b h ALA 36 N 0.00 0.67 -2.10 5.20 0.00 -2.03 -3.49 119.26 117.51 2k4b h ALA 36 Ca 0.00 -0.62 0.34 0.00 0.00 0.00 0.00 54.91 54.62 2k4b h ALA 36 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2k4b h ALA 36 CO 0.00 0.80 0.87 -1.91 0.00 0.00 0.00 179.25 179.01 2k4b n GLU 37 N -3.79 0.16 0.00 0.00 0.00 -1.26 -5.10 120.64 110.65 2k4b n GLU 37 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 57.16 56.41 2k4b n GLU 37 Cb 0.71 1.20 0.00 0.00 0.00 0.00 0.00 31.44 33.35 2k4b n GLU 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2k4b n LEU 38 N 0.00 0.33 -0.28 4.31 4.32 -1.26 -4.84 117.00 119.59 2k4b n LEU 38 Ca 0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.99 2k4b n LEU 38 Cb 0.55 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.42 2k4b n LEU 38 CO 0.14 0.06 1.15 0.16 -1.22 0.00 0.00 177.39 177.68 2k4b h ILE 39 N 0.00 1.22 -0.02 -0.08 3.07 -1.99 -1.64 117.51 118.07 2k4b h ILE 39 Ca 0.00 -0.50 0.01 0.00 1.55 0.00 0.00 64.86 65.91 2k4b h ILE 39 Cb 0.40 0.17 -0.00 0.00 -0.27 0.00 0.00 36.82 37.12 2k4b h ILE 39 CO 0.00 0.23 0.02 -0.37 -1.05 0.00 0.00 178.15 176.99 2k4b h VAL 40 N 1.05 0.43 -0.42 0.16 -1.51 -2.00 0.27 116.25 114.23 2k4b h VAL 40 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 2k4b h VAL 40 Cb -0.02 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2k4b h VAL 40 CO -0.05 0.00 0.00 0.23 -1.23 0.00 0.00 177.57 176.52 2k4b n MET 41 N -3.71 2.26 0.00 5.19 2.81 -0.63 -4.42 117.12 118.62 2k4b n MET 41 Ca -0.03 -1.92 0.00 0.00 -1.81 0.00 0.00 57.70 53.94 2k4b n MET 41 Cb 0.11 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.10 4.70 0.31 0.03 0.63 -0.50 -4.88 116.66 118.05 2k4b n ARG 42 Ca 0.19 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.96 2k4b n ARG 42 Cb 0.49 -0.46 -0.08 0.00 0.45 0.00 0.00 32.46 32.87 2k4b n ARG 42 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 2k4b h VAL 43 N 0.00 0.00 -0.85 5.15 3.04 -1.21 -3.32 116.25 119.07 2k4b h VAL 43 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2k4b h VAL 43 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 2k4b h VAL 43 CO 0.00 0.00 0.44 0.40 -1.01 0.00 0.00 177.57 177.40 2k4b h ILE 44 N -0.92 1.25 -0.89 3.17 2.04 -1.82 -2.34 117.51 118.00 2k4b h ILE 44 Ca -0.07 -0.65 0.23 0.00 1.00 0.00 0.00 64.86 65.36 2k4b h ILE 44 Cb 0.76 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2k4b h ILE 44 CO 0.03 0.29 0.61 -0.25 0.00 0.00 0.00 178.15 178.83 2k4b h TRP 45 N 1.19 0.33 0.01 1.37 2.91 -1.89 -2.91 115.95 116.95 2k4b h TRP 45 Ca 0.30 0.01 -0.19 0.00 1.13 0.00 0.00 58.89 60.14 2k4b h TRP 45 Cb 0.05 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 2k4b h TRP 45 CO 0.01 0.08 -0.87 1.03 -1.03 0.00 0.00 178.44 177.67 2k4b h SER 46 N 0.24 0.11 -0.01 2.65 0.87 -1.52 -3.24 113.55 112.65 2k4b h SER 46 Ca 0.45 -0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.70 2k4b h SER 46 Cb 1.38 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 63.32 2k4b h SER 46 CO -0.11 0.92 -0.85 0.25 -0.53 0.00 0.00 176.83 176.51 2k4b h LEU 47 N 0.04 0.76 0.00 2.23 6.46 -1.68 -3.49 115.31 119.64 2k4b h LEU 47 Ca -0.03 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 56.99 2k4b h LEU 47 Cb 1.51 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 2k4b h LEU 47 CO 0.12 1.40 0.00 0.61 -0.62 0.00 0.00 178.44 179.95 2k4b n GLY 48 N 1.05 2.53 3.05 3.75 0.00 -1.20 -4.97 105.19 109.40 2k4b n GLY 48 Ca -0.11 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 0.88 0.01 1.61 1.03 -1.26 -4.08 118.70 116.89 2k4b s GLU 49 Ca 0.00 -0.39 0.00 0.00 0.03 0.00 0.00 54.97 54.62 2k4b s GLU 49 Cb 0.00 -0.85 -0.01 0.00 -0.80 0.00 0.00 34.13 32.47 2k4b s GLU 49 CO 0.00 0.23 -0.03 0.00 -1.33 0.00 0.00 175.26 174.14 2k4b s ALA 50 N -0.25 0.16 0.67 -0.84 0.00 -0.63 -4.97 121.76 115.90 2k4b s ALA 50 Ca 0.04 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 2k4b s ALA 50 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2k4b s ALA 50 CO -0.00 -0.04 1.07 1.03 0.00 0.00 0.00 175.76 177.81 2k4b s ARG 51 N -0.69 3.13 0.25 0.00 0.52 -1.26 -0.70 118.95 120.20 2k4b s ARG 51 Ca -0.06 0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 55.76 2k4b s ARG 51 Cb -0.05 -2.04 0.43 0.00 0.52 0.00 0.00 34.95 33.82 2k4b s ARG 51 CO -0.00 -0.89 1.80 -0.24 0.02 0.00 0.00 175.30 175.99 2k4b h VAL 52 N -0.55 0.87 0.00 3.52 3.04 -1.66 -0.17 116.25 121.30 2k4b h VAL 52 Ca -0.45 -0.26 -0.09 0.00 -1.01 0.00 0.00 66.70 64.89 2k4b h VAL 52 Cb 1.22 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 2k4b h VAL 52 CO 0.62 0.14 -0.44 0.44 -1.01 0.00 0.00 177.57 177.32 2k4b h ASP 53 N 0.76 0.00 0.01 3.17 5.19 -1.94 -2.97 116.42 120.64 2k4b h ASP 53 Ca 0.41 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.75 2k4b h ASP 53 Cb 0.43 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.95 2k4b h ASP 53 CO -0.27 0.44 -0.29 -0.33 -3.12 0.00 0.00 179.24 175.66 2k4b h GLU 54 N 0.00 0.19 -0.74 3.56 4.39 -1.56 -0.58 114.58 119.83 2k4b h GLU 54 Ca -0.00 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.50 2k4b h GLU 54 Cb 1.07 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 2k4b h GLU 54 CO 0.06 0.95 0.48 -0.84 -1.16 0.00 0.00 179.01 178.50 2k4b h ILE 55 N -0.49 1.15 -0.23 3.13 3.07 -1.17 -1.51 117.51 121.47 2k4b h ILE 55 Ca -0.04 -0.33 -0.08 0.00 1.55 0.00 0.00 64.86 65.96 2k4b h ILE 55 Cb 1.06 0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 37.70 2k4b h ILE 55 CO 0.06 0.18 -0.21 0.22 -1.05 0.00 0.00 178.15 177.34 2k4b h TYR 56 N 0.97 0.45 0.00 0.16 3.20 -1.58 -3.16 116.97 117.00 2k4b h TYR 56 Ca 0.28 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 2k4b h TYR 56 Cb -0.06 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 2k4b h TYR 56 CO -0.03 0.60 -0.00 0.00 -1.64 0.00 0.00 178.16 177.09 2k4b h ALA 57 N 1.41 1.03 -0.00 1.82 0.00 -0.02 -1.33 119.26 122.17 2k4b h ALA 57 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k4b h ALA 57 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k4b h ALA 57 CO 0.04 0.00 -0.20 1.04 0.00 0.00 0.00 179.25 180.13 2k4b n GLN 58 N -3.12 0.15 -3.07 0.00 1.13 -1.13 -4.90 117.38 106.43 2k4b n GLN 58 Ca -0.03 -0.05 -0.40 0.00 -1.94 0.00 0.00 57.00 54.58 2k4b n GLN 58 Cb 0.08 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.88 2k4b n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2k4b s ILE 59 N -2.89 4.99 0.38 5.09 1.01 -0.50 -5.04 121.20 124.23 2k4b s ILE 59 Ca 0.16 1.27 -0.23 0.00 0.00 0.00 0.00 60.65 61.85 2k4b s ILE 59 Cb 0.19 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 2k4b s ILE 59 CO 0.58 0.08 0.94 -2.16 0.00 0.00 0.00 174.94 174.38 2k4b s PRO 60 N 2.05 4.37 0.42 2.79 0.04 -1.26 -4.99 135.00 138.42 2k4b s PRO 60 Ca 0.30 1.19 0.19 0.00 0.04 0.00 0.00 61.00 62.73 2k4b s PRO 60 Cb -0.16 -2.45 0.93 0.00 0.04 0.00 0.00 34.50 32.86 2k4b s PRO 60 CO 0.10 0.11 1.87 1.96 0.04 0.00 0.00 177.00 181.08 2k4b h GLN 61 N 2.46 0.00 -0.42 4.56 7.50 -1.97 -3.06 115.11 124.18 2k4b h GLN 61 Ca -0.48 0.00 0.12 0.00 0.50 0.00 0.00 58.65 58.79 2k4b h GLN 61 Cb 1.18 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.70 2k4b h GLN 61 CO 0.63 0.29 0.37 0.93 -1.50 0.00 0.00 178.83 179.55 2k4b h GLU 62 N 0.00 0.00 0.00 1.46 5.08 -2.02 -0.96 114.58 118.14 2k4b h GLU 62 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2k4b h GLU 62 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k4b h GLU 62 CO 0.04 0.00 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.67 2k4b h LEU 63 N 0.00 0.00 0.77 1.33 3.38 -1.95 -3.47 115.31 115.36 2k4b h LEU 63 Ca 0.20 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.84 2k4b h LEU 63 Cb 0.93 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 2k4b h LEU 63 CO -0.00 0.31 -0.30 -0.62 0.09 0.00 0.00 178.44 177.92 2k4b n GLU 64 N -3.37 -1.11 -2.06 1.13 1.02 -0.37 -4.95 120.64 110.93 2k4b n GLU 64 Ca 0.01 1.06 -0.36 0.00 -0.02 0.00 0.00 57.16 57.84 2k4b n GLU 64 Cb 0.52 -5.23 -0.03 0.00 -0.02 0.00 0.00 31.44 26.67 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 -2.59 1.72 0.54 -0.32 0.52 -1.26 -4.99 118.94 112.56 2k4b s TRP 65 Ca 0.00 0.71 -0.22 0.00 0.02 0.00 0.00 56.10 56.61 2k4b s TRP 65 Cb 0.00 -4.10 -0.05 0.00 -1.15 0.00 0.00 33.47 28.17 2k4b s TRP 65 CO 0.00 -2.18 1.36 0.43 0.02 0.00 0.00 176.95 176.58 2k4b n SER 66 N 12.86 2.70 -0.40 2.95 7.64 -1.26 -4.87 113.62 133.24 2k4b n SER 66 Ca 0.24 0.98 0.35 0.00 1.01 0.00 0.00 58.87 61.45 2k4b n SER 66 Cb 0.51 -1.58 0.67 0.00 -1.01 0.00 0.00 64.21 62.80 2k4b n SER 66 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k4b h LEU 67 N 1.46 0.18 -1.19 -3.43 6.46 -2.01 0.11 115.31 116.89 2k4b h LEU 67 Ca -0.51 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.33 2k4b h LEU 67 Cb 1.30 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.22 2k4b h LEU 67 CO 0.57 -0.02 0.56 0.00 -0.62 0.00 0.00 178.44 178.93 2k4b h ALA 68 N 1.46 1.45 -0.10 1.25 0.00 -2.01 -3.32 119.26 117.98 2k4b h ALA 68 Ca 0.68 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 2k4b h ALA 68 Cb 2.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2k4b h ALA 68 CO -0.18 0.48 0.05 1.15 0.00 0.00 0.00 179.25 180.75 2k4b h THR 69 N 1.08 1.10 -0.86 0.00 2.02 -1.10 -1.95 112.91 113.20 2k4b h THR 69 Ca 0.33 -0.28 0.08 0.00 0.77 0.00 0.00 66.41 67.31 2k4b h THR 69 Cb -0.03 1.10 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 2k4b h THR 69 CO -0.09 0.09 0.51 1.62 0.37 0.00 0.00 175.52 178.02 2k4b h VAL 70 N 0.06 0.96 -0.51 3.16 3.04 -1.74 -2.15 116.25 119.07 2k4b h VAL 70 Ca 0.04 -0.30 -0.08 0.00 -1.01 0.00 0.00 66.70 65.34 2k4b h VAL 70 Cb 0.09 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.36 2k4b h VAL 70 CO -0.01 0.16 0.00 0.11 -1.01 0.00 0.00 177.57 176.83 2k4b h LYS 71 N 0.88 0.90 -0.17 4.17 1.57 -1.49 0.26 116.57 122.69 2k4b h LYS 71 Ca 0.40 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2k4b h LYS 71 Cb 0.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2k4b h LYS 71 CO -0.22 0.93 -0.24 0.00 -0.57 0.00 0.00 179.45 179.35 2k4b h THR 72 N 0.77 1.24 0.07 -0.16 1.03 -1.23 -1.01 112.91 113.62 2k4b h THR 72 Ca 0.14 -1.13 -0.16 0.00 -0.01 0.00 0.00 66.41 65.26 2k4b h THR 72 Cb 0.52 1.38 0.02 0.00 -1.07 0.00 0.00 68.15 68.99 2k4b h THR 72 CO 0.03 0.35 -0.66 0.25 -0.01 0.00 0.00 175.52 175.47 2k4b h LEU 73 N 0.28 0.46 -0.65 0.00 6.46 -0.96 -3.13 115.31 117.76 2k4b h LEU 73 Ca 0.05 -0.87 0.13 0.00 -0.12 0.00 0.00 57.88 57.07 2k4b h LEU 73 Cb 0.58 -0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 40.26 2k4b h LEU 73 CO 0.04 1.28 0.09 -0.07 -0.62 0.00 0.00 178.44 179.17 2k4b h LEU 74 N -0.31 -0.10 -1.96 2.25 3.38 -0.52 0.52 115.31 118.58 2k4b h LEU 74 Ca -0.10 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.11 2k4b h LEU 74 Cb 1.45 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2k4b h LEU 74 CO 0.13 -0.05 0.45 1.23 0.09 0.00 0.00 178.44 180.28 2k4b h GLY 75 N 0.21 0.00 0.00 0.83 0.00 -1.15 0.18 103.07 103.14 2k4b h GLY 75 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 2k4b h GLY 75 CO -0.49 0.00 -0.35 3.21 0.00 0.00 0.00 176.54 178.91 2k4b h ARG 76 N 0.00 0.00 -0.40 4.80 2.47 -0.87 -3.31 114.38 117.06 2k4b h ARG 76 Ca 0.18 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.97 2k4b h ARG 76 Cb 1.07 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.33 2k4b h ARG 76 CO -0.00 0.95 0.05 -0.07 0.56 0.00 0.00 179.97 181.46 2k4b h LEU 77 N -1.00 -0.05 -1.02 3.04 3.38 -0.02 -0.16 115.31 119.47 2k4b h LEU 77 Ca -0.10 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2k4b h LEU 77 Cb 1.04 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2k4b h LEU 77 CO -0.06 0.01 -0.18 -0.37 0.09 0.00 0.00 178.44 177.93 2k4b h VAL 78 N 0.17 1.25 0.14 1.22 -1.51 -0.99 -2.03 116.25 114.50 2k4b h VAL 78 Ca 0.20 -1.13 -0.30 0.00 -1.23 0.00 0.00 66.70 64.23 2k4b h VAL 78 Cb 0.26 1.24 0.03 0.00 -2.13 0.00 0.00 31.29 30.69 2k4b h VAL 78 CO -0.28 0.36 -1.27 0.50 -1.23 0.00 0.00 177.57 175.65 2k4b h LYS 79 N 0.44 0.60 0.00 5.19 1.63 -1.60 -3.40 116.57 119.43 2k4b h LYS 79 Ca 0.07 -0.83 0.00 0.00 -0.85 0.00 0.00 60.65 59.05 2k4b h LYS 79 Cb 0.57 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2k4b h LYS 79 CO 0.04 1.38 0.00 1.63 -3.45 0.00 0.00 179.45 179.05 2k4b n LYS 80 N -3.77 0.00 -0.12 1.90 4.76 -0.09 -5.00 118.16 115.84 2k4b n LYS 80 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 2k4b n LYS 80 Cb 1.00 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 2k4b n LYS 80 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2k4b n GLU 81 N 0.00 0.00 0.00 1.97 2.13 -0.82 -5.07 120.64 118.85 2k4b n GLU 81 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k4b n GLU 81 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2k4b n GLU 81 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k4b n MET 82 N 0.00 0.00 -4.30 5.31 2.81 -0.88 -5.05 117.12 115.00 2k4b n MET 82 Ca 0.00 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 2k4b n MET 82 Cb 0.13 -0.48 -0.10 0.00 -0.71 0.00 0.00 33.22 32.06 2k4b n MET 82 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k4b s LEU 83 N -1.08 2.51 0.49 4.03 1.43 -1.26 -4.81 118.68 119.99 2k4b s LEU 83 Ca 0.00 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 52.23 2k4b s LEU 83 Cb 0.00 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.66 2k4b s LEU 83 CO 0.00 -0.18 0.67 -0.44 0.23 0.00 0.00 176.35 176.63 2k4b s SER 84 N -3.04 5.40 -0.06 2.29 0.01 -0.01 -4.23 113.70 114.06 2k4b s SER 84 Ca 0.18 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 56.74 2k4b s SER 84 Cb -0.02 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.97 2k4b s SER 84 CO 0.05 -1.03 0.28 0.28 0.41 0.00 0.00 173.24 173.23 2k4b s THR 85 N -2.50 0.03 0.10 1.44 -1.32 -1.26 -0.97 115.64 111.16 2k4b s THR 85 Ca 0.58 -0.25 -0.07 0.00 -1.21 0.00 0.00 61.69 60.74 2k4b s THR 85 Cb -0.08 -0.49 -0.01 0.00 -1.51 0.00 0.00 72.50 70.41 2k4b s THR 85 CO 0.36 -0.14 0.16 -1.83 -2.21 0.00 0.00 174.62 170.96 2k4b s GLU 86 N -0.55 0.87 -0.08 7.08 -1.05 -0.17 -4.99 118.70 119.81 2k4b s GLU 86 Ca -0.07 -1.08 -0.12 0.00 -0.15 0.00 0.00 54.97 53.55 2k4b s GLU 86 Cb -0.04 0.32 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 2k4b s GLU 86 CO 0.02 -0.27 0.29 0.21 0.95 0.00 0.00 175.26 176.45 2k4b s LYS 87 N -3.91 3.82 -0.68 -4.83 2.20 -1.26 -0.91 119.74 114.17 2k4b s LYS 87 Ca 0.09 0.15 0.05 0.00 -0.36 0.00 0.00 55.97 55.90 2k4b s LYS 87 Cb 0.05 -3.26 0.17 0.00 -1.51 0.00 0.00 37.83 33.28 2k4b s LYS 87 CO -0.08 0.62 0.47 -1.21 -0.36 0.00 0.00 175.35 174.80 2k4b s GLU 88 N -0.72 2.36 0.00 4.03 0.41 0.29 -4.93 118.70 120.15 2k4b s GLU 88 Ca 0.19 -3.24 0.00 0.00 -0.41 0.00 0.00 54.97 51.50 2k4b s GLU 88 Cb -0.14 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 2k4b s GLU 88 CO 0.08 -1.28 0.00 0.41 -0.49 0.00 0.00 175.26 173.98 2k4b n GLY 89 N 2.09 1.00 0.83 -1.39 0.00 -1.26 -2.29 105.19 104.17 2k4b n GLY 89 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -1.74 1.61 0.63 -1.26 -5.15 116.66 110.74 2k4b n ARG 90 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 2k4b n ARG 90 Cb 0.00 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.07 2k4b n ARG 90 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2k4b s LYS 91 N -1.43 0.89 0.14 -0.14 2.47 -0.97 -5.07 119.74 115.63 2k4b s LYS 91 Ca 0.00 -0.08 0.09 0.00 -1.56 0.00 0.00 55.97 54.42 2k4b s LYS 91 Cb 0.00 -1.84 -0.04 0.00 -1.46 0.00 0.00 37.83 34.49 2k4b s LYS 91 CO 0.00 -2.30 -0.21 -0.06 0.16 0.00 0.00 175.35 172.94 2k4b s PHE 92 N -3.58 1.92 0.03 4.03 0.08 -1.26 -0.54 117.98 118.65 2k4b s PHE 92 Ca 0.68 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.32 2k4b s PHE 92 Cb -0.09 -1.00 -0.02 0.00 -0.57 0.00 0.00 43.02 41.35 2k4b s PHE 92 CO 0.52 0.30 -0.06 0.54 -0.10 0.00 0.00 175.22 176.43 2k4b s VAL 93 N -1.55 0.39 -0.22 -0.44 0.11 -0.09 -1.55 120.40 117.04 2k4b s VAL 93 Ca 0.12 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2k4b s VAL 93 Cb -0.08 -0.44 0.05 0.00 -1.53 0.00 0.00 36.38 34.38 2k4b s VAL 93 CO 0.06 -0.28 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.15 2k4b s TYR 94 N -1.04 2.56 0.04 1.54 1.51 0.12 -1.00 117.35 121.09 2k4b s TYR 94 Ca -0.08 -1.77 -0.05 0.00 -1.01 0.00 0.00 57.07 54.16 2k4b s TYR 94 Cb -0.08 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 2k4b s TYR 94 CO -0.00 -0.78 0.08 -0.98 -1.11 0.00 0.00 175.55 172.77 2k4b s ARG 95 N 1.34 0.61 1.14 -0.62 1.70 -0.14 -1.60 118.95 121.37 2k4b s ARG 95 Ca -0.04 -0.83 -0.16 0.00 -0.47 0.00 0.00 55.73 54.22 2k4b s ARG 95 Cb -0.18 0.24 0.26 0.00 -0.57 0.00 0.00 34.95 34.70 2k4b s ARG 95 CO -0.07 -0.15 1.09 -1.25 -1.08 0.00 0.00 175.30 173.84 2k4b s PRO 96 N -2.88 -0.70 -0.02 3.89 0.04 -1.26 -0.83 135.00 133.25 2k4b s PRO 96 Ca -0.03 0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.25 2k4b s PRO 96 Cb 0.00 -1.63 0.08 0.00 0.04 0.00 0.00 34.50 32.99 2k4b s PRO 96 CO -0.06 -3.42 1.04 -0.11 0.04 0.00 0.00 177.00 174.49 2k4b n LEU 97 N -4.60 0.39 0.00 -3.56 -0.00 -1.26 -4.71 117.00 103.26 2k4b n LEU 97 Ca 0.09 -1.37 0.00 0.00 -0.00 0.00 0.00 56.01 54.74 2k4b n LEU 97 Cb 0.58 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2k4b n LEU 97 CO 0.50 0.34 -0.10 0.80 -0.00 0.00 0.00 177.39 178.94 2k4b n MET 98 N -0.12 3.36 0.00 1.96 1.56 -1.26 -5.14 117.12 117.49 2k4b n MET 98 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 2k4b n MET 98 Cb 0.74 -0.45 0.00 0.00 2.15 0.00 0.00 33.22 35.66 2k4b n MET 98 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33