#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4b n ASN 32 N 0.00 -0.24 -0.54 -2.13 5.15 -1.26 -4.91 115.26 111.33 2k4b n ASN 32 Ca 0.00 -2.96 0.00 0.00 -0.60 0.00 0.00 54.58 51.03 2k4b n ASN 32 Cb 0.00 -0.09 0.01 0.00 -0.53 0.00 0.00 39.78 39.17 2k4b n ASN 32 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2k4b n VAL 33 N 0.99 0.05 -0.53 3.44 0.24 -1.26 -4.98 118.33 116.28 2k4b n VAL 33 Ca 0.19 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.34 62.34 2k4b n VAL 33 Cb 0.60 0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 33.42 2k4b n VAL 33 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2k4b n SER 34 N -0.02 4.06 -4.78 -1.34 2.88 -1.26 -4.92 113.62 108.25 2k4b n SER 34 Ca 0.01 -2.15 -0.34 0.00 -1.33 0.00 0.00 58.87 55.06 2k4b n SER 34 Cb 0.72 -0.95 0.02 0.00 -0.75 0.00 0.00 64.21 63.25 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 2.09 5.47 0.34 -3.46 0.02 -1.26 -4.98 114.94 113.16 2k4b s ASN 35 Ca 0.20 2.04 0.05 0.00 -1.02 0.00 0.00 52.86 54.13 2k4b s ASN 35 Cb 0.10 -2.56 0.63 0.00 0.02 0.00 0.00 41.25 39.44 2k4b s ASN 35 CO 0.00 -1.38 1.89 0.00 0.02 0.00 0.00 177.10 177.62 2k4b h ALA 36 N 0.58 1.40 0.00 0.60 0.00 -2.04 -3.32 119.26 116.48 2k4b h ALA 36 Ca -0.48 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.80 2k4b h ALA 36 Cb 1.25 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2k4b h ALA 36 CO 0.56 0.42 2.64 0.39 0.00 0.00 0.00 179.25 183.26 2k4b n GLU 37 N -4.29 2.47 0.00 0.00 -0.58 -1.26 -2.30 120.64 114.68 2k4b n GLU 37 Ca 0.01 -1.58 0.00 0.00 -0.42 0.00 0.00 57.16 55.18 2k4b n GLU 37 Cb 0.24 -2.48 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 2k4b n GLU 37 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2k4b n LEU 38 N 3.84 0.00 0.00 -4.62 0.00 -1.25 -4.87 117.00 110.10 2k4b n LEU 38 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.54 2k4b n LEU 38 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.68 2k4b n LEU 38 CO 0.68 -0.41 0.05 -0.38 0.00 0.00 0.00 177.39 177.33 2k4b n ILE 39 N -2.32 0.00 -0.17 1.96 5.41 -0.97 -4.12 119.36 119.14 2k4b n ILE 39 Ca 0.00 0.36 -0.11 0.00 1.00 0.00 0.00 62.75 64.00 2k4b n ILE 39 Cb 0.00 -0.87 0.01 0.00 -0.71 0.00 0.00 39.64 38.07 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 1.27 -0.55 1.39 -1.51 -1.94 -0.88 116.25 114.03 2k4b h VAL 40 Ca 0.00 -1.33 0.16 0.00 -1.23 0.00 0.00 66.70 64.30 2k4b h VAL 40 Cb 0.00 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 2k4b h VAL 40 CO 0.00 0.47 0.55 -0.03 -1.23 0.00 0.00 177.57 177.32 2k4b h MET 41 N 0.90 0.00 0.00 5.19 -1.53 -1.83 -3.27 114.93 114.39 2k4b h MET 41 Ca 0.13 0.00 -0.38 0.00 -3.44 0.00 0.00 59.70 56.00 2k4b h MET 41 Cb 0.74 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.73 2k4b h MET 41 CO 0.06 0.00 -2.37 -2.13 0.14 0.00 0.00 176.91 172.60 2k4b n ARG 42 N -3.77 0.57 -0.32 0.39 0.63 -0.42 -4.30 116.66 109.44 2k4b n ARG 42 Ca 0.11 0.18 -0.04 0.00 -0.92 0.00 0.00 57.85 57.17 2k4b n ARG 42 Cb 0.76 -1.44 0.08 0.00 0.45 0.00 0.00 32.46 32.31 2k4b n ARG 42 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 2k4b h VAL 43 N -0.38 1.25 -0.41 5.15 -1.51 -1.38 -2.84 116.25 116.12 2k4b h VAL 43 Ca -0.58 -0.58 -0.04 0.00 -1.23 0.00 0.00 66.70 64.27 2k4b h VAL 43 Cb 1.71 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 2k4b h VAL 43 CO -0.21 0.27 0.10 0.40 -1.23 0.00 0.00 177.57 176.90 2k4b h ILE 44 N 1.20 1.23 0.00 7.19 2.04 -1.82 -3.13 117.51 124.22 2k4b h ILE 44 Ca 0.31 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2k4b h ILE 44 Cb -0.00 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2k4b h ILE 44 CO -0.05 0.27 -0.04 -0.25 0.00 0.00 0.00 178.15 178.08 2k4b h TRP 45 N 0.52 0.00 0.09 1.37 2.91 -1.69 -2.92 115.95 116.22 2k4b h TRP 45 Ca 0.13 0.00 -0.25 0.00 1.13 0.00 0.00 58.89 59.89 2k4b h TRP 45 Cb 0.30 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.95 2k4b h TRP 45 CO 0.02 0.04 -1.14 0.66 -1.03 0.00 0.00 178.44 176.99 2k4b h SER 46 N 0.00 0.41 0.00 2.65 4.64 -1.50 -3.34 113.55 116.40 2k4b h SER 46 Ca -0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2k4b h SER 46 Cb 0.08 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2k4b h SER 46 CO 0.01 1.28 0.00 0.18 -0.87 0.00 0.00 176.83 177.42 2k4b n LEU 47 N -3.58 0.44 0.00 5.97 4.32 -1.20 -5.03 117.00 117.92 2k4b n LEU 47 Ca -0.07 0.60 0.00 0.00 -0.02 0.00 0.00 56.01 56.52 2k4b n LEU 47 Cb 0.96 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2k4b n LEU 47 CO 0.52 -0.36 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 2k4b n GLY 48 N 0.66 2.23 2.96 -0.72 0.00 -1.11 -5.08 105.19 104.13 2k4b n GLY 48 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2k4b n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4b s GLU 49 N 0.00 0.26 -0.12 1.61 -6.30 -1.26 -4.25 118.70 108.64 2k4b s GLU 49 Ca 0.00 -0.49 -0.05 0.00 -2.50 0.00 0.00 54.97 51.92 2k4b s GLU 49 Cb 0.00 0.06 0.06 0.00 0.00 0.00 0.00 34.13 34.24 2k4b s GLU 49 CO 0.00 -0.03 0.26 0.00 0.02 0.00 0.00 175.26 175.51 2k4b s ALA 50 N -1.15 -0.59 0.84 6.30 0.00 -0.24 -5.00 121.76 121.91 2k4b s ALA 50 Ca -0.12 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 2k4b s ALA 50 Cb -0.08 -0.84 0.10 0.00 0.00 0.00 0.00 23.12 22.30 2k4b s ALA 50 CO -0.01 -0.42 1.11 1.03 0.00 0.00 0.00 175.76 177.47 2k4b s ARG 51 N 1.84 1.66 0.25 0.00 0.52 -1.26 -0.87 118.95 121.09 2k4b s ARG 51 Ca -0.04 1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 56.36 2k4b s ARG 51 Cb -0.11 -1.82 0.45 0.00 0.52 0.00 0.00 34.95 33.99 2k4b s ARG 51 CO -0.09 -2.08 1.77 -0.24 0.02 0.00 0.00 175.30 174.68 2k4b h VAL 52 N -1.45 0.78 0.00 3.52 3.04 -1.91 -0.42 116.25 119.80 2k4b h VAL 52 Ca -0.45 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 2k4b h VAL 52 Cb 1.25 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2k4b h VAL 52 CO 0.49 0.11 -0.13 -2.24 -1.01 0.00 0.00 177.57 174.79 2k4b h ASP 53 N 0.62 0.00 0.14 3.17 2.03 -1.92 -2.88 116.42 117.58 2k4b h ASP 53 Ca 0.42 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.53 2k4b h ASP 53 Cb 0.54 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.06 2k4b h ASP 53 CO -0.33 0.13 -0.84 -0.33 -1.03 0.00 0.00 179.24 176.85 2k4b h GLU 54 N 0.00 0.32 -0.56 4.15 4.39 -1.49 -2.98 114.58 118.41 2k4b h GLU 54 Ca -0.00 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 2k4b h GLU 54 Cb 0.80 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 2k4b h GLU 54 CO 0.02 1.25 0.30 -0.84 -1.16 0.00 0.00 179.01 178.58 2k4b h ILE 55 N -0.32 1.19 -0.87 3.13 3.07 -1.21 -1.66 117.51 120.84 2k4b h ILE 55 Ca -0.14 -0.49 0.02 0.00 1.55 0.00 0.00 64.86 65.80 2k4b h ILE 55 Cb 1.65 0.49 -0.05 0.00 -0.27 0.00 0.00 36.82 38.64 2k4b h ILE 55 CO 0.16 0.20 0.57 0.22 -1.05 0.00 0.00 178.15 178.26 2k4b h TYR 56 N 0.75 1.08 0.00 0.16 3.20 -1.68 -2.64 116.97 117.84 2k4b h TYR 56 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2k4b h TYR 56 Cb 0.06 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.96 2k4b h TYR 56 CO -0.01 0.66 0.00 0.00 -1.64 0.00 0.00 178.16 177.17 2k4b n ALA 57 N -2.40 1.36 1.41 1.82 0.00 -0.66 -1.84 120.51 120.19 2k4b n ALA 57 Ca 0.10 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.77 2k4b n ALA 57 Cb 0.05 -1.28 0.52 0.00 0.00 0.00 0.00 19.45 18.74 2k4b n ALA 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4b n GLN 58 N -2.02 1.03 -3.53 0.00 3.00 -0.98 -4.89 117.38 109.99 2k4b n GLN 58 Ca 0.01 -0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 56.07 2k4b n GLN 58 Cb 0.12 -1.49 -0.10 0.00 0.00 0.00 0.00 30.24 28.77 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 -2.33 4.92 0.61 5.09 1.01 -0.77 -5.09 121.20 124.64 2k4b s ILE 59 Ca 0.31 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 2k4b s ILE 59 Cb 0.20 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 2k4b s ILE 59 CO 0.45 -0.29 0.96 -2.16 0.00 0.00 0.00 174.94 173.90 2k4b s PRO 60 N 1.61 3.09 0.31 2.79 0.04 -1.26 -5.00 135.00 136.59 2k4b s PRO 60 Ca 0.03 0.27 0.05 0.00 0.04 0.00 0.00 61.00 61.39 2k4b s PRO 60 Cb -0.19 -2.19 0.69 0.00 0.04 0.00 0.00 34.50 32.85 2k4b s PRO 60 CO 0.08 -0.70 1.84 0.37 0.04 0.00 0.00 177.00 178.63 2k4b h GLN 61 N -0.27 0.82 0.00 4.56 -0.00 -1.98 -3.03 115.11 115.20 2k4b h GLN 61 Ca -0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 2k4b h GLN 61 Cb 1.24 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.53 2k4b h GLN 61 CO 0.62 0.54 0.24 0.93 0.00 0.00 0.00 178.83 181.16 2k4b h GLU 62 N 0.84 0.00 0.00 1.69 5.08 -2.01 0.33 114.58 120.51 2k4b h GLU 62 Ca 0.50 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.70 2k4b h GLU 62 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2k4b h GLU 62 CO -0.26 0.00 -1.35 -0.07 -1.00 0.00 0.00 179.01 176.33 2k4b h LEU 63 N 0.00 0.00 1.61 1.33 3.38 -1.94 -3.49 115.31 116.20 2k4b h LEU 63 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 2k4b h LEU 63 Cb 0.47 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2k4b h LEU 63 CO 0.00 0.55 -0.43 -0.62 0.09 0.00 0.00 178.44 178.03 2k4b n GLU 64 N -2.90 -1.49 -1.25 1.13 1.02 0.10 -5.01 120.64 112.25 2k4b n GLU 64 Ca -0.09 1.14 -0.30 0.00 -0.02 0.00 0.00 57.16 57.90 2k4b n GLU 64 Cb 0.82 -5.60 0.12 0.00 -0.02 0.00 0.00 31.44 26.77 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 -2.84 2.42 0.24 -0.32 0.52 -1.26 -5.09 118.94 112.60 2k4b s TRP 65 Ca 0.00 1.31 0.09 0.00 0.02 0.00 0.00 56.10 57.52 2k4b s TRP 65 Cb 0.00 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 2k4b s TRP 65 CO 0.00 -2.21 -0.03 0.45 0.02 0.00 0.00 176.95 175.18 2k4b s SER 66 N -3.46 4.48 0.39 2.95 0.15 -1.26 -5.02 113.70 111.93 2k4b s SER 66 Ca 0.63 -0.61 0.13 0.00 0.70 0.00 0.00 55.95 56.79 2k4b s SER 66 Cb -0.17 -0.82 0.95 0.00 -1.71 0.00 0.00 66.02 64.27 2k4b s SER 66 CO 0.56 0.03 1.88 0.25 1.20 0.00 0.00 173.24 177.17 2k4b h LEU 67 N 2.21 0.51 -1.02 3.45 6.46 -1.98 -0.55 115.31 124.39 2k4b h LEU 67 Ca -0.45 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.45 2k4b h LEU 67 Cb 1.23 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 41.02 2k4b h LEU 67 CO 0.59 0.25 0.64 0.00 -0.62 0.00 0.00 178.44 179.29 2k4b h ALA 68 N 1.62 1.50 0.40 1.25 0.00 -2.00 -3.03 119.26 118.99 2k4b h ALA 68 Ca 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2k4b h ALA 68 Cb 0.85 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k4b h ALA 68 CO -0.17 0.28 -0.19 1.15 0.00 0.00 0.00 179.25 180.32 2k4b h THR 69 N 1.04 0.61 -0.37 0.00 2.02 -1.49 -1.92 112.91 112.79 2k4b h THR 69 Ca 0.48 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 2k4b h THR 69 Cb 0.41 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2k4b h THR 69 CO -0.24 0.03 0.17 1.62 0.37 0.00 0.00 175.52 177.48 2k4b h VAL 70 N -0.64 1.17 -0.82 3.16 3.04 -1.54 -0.78 116.25 119.84 2k4b h VAL 70 Ca -0.05 -0.50 0.01 0.00 -1.01 0.00 0.00 66.70 65.14 2k4b h VAL 70 Cb 0.47 0.81 -0.04 0.00 -2.01 0.00 0.00 31.29 30.52 2k4b h VAL 70 CO 0.09 0.19 0.54 0.11 -1.01 0.00 0.00 177.57 177.49 2k4b h LYS 71 N 0.47 1.08 -0.12 4.17 1.57 -1.54 0.10 116.57 122.29 2k4b h LYS 71 Ca 0.13 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 2k4b h LYS 71 Cb 0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2k4b h LYS 71 CO -0.02 0.71 -0.56 0.00 -0.57 0.00 0.00 179.45 179.01 2k4b h THR 72 N 1.11 1.35 -0.04 -0.16 1.03 -1.12 -2.85 112.91 112.23 2k4b h THR 72 Ca 0.30 -1.86 -0.18 0.00 -0.01 0.00 0.00 66.41 64.66 2k4b h THR 72 Cb -0.13 1.88 0.01 0.00 -1.07 0.00 0.00 68.15 68.85 2k4b h THR 72 CO -0.07 0.56 -0.66 0.25 -0.01 0.00 0.00 175.52 175.60 2k4b h LEU 73 N 0.28 0.65 -0.58 0.00 6.46 -0.61 -3.01 115.31 118.50 2k4b h LEU 73 Ca 0.00 -0.71 0.12 0.00 -0.12 0.00 0.00 57.88 57.17 2k4b h LEU 73 Cb 1.07 -0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.70 2k4b h LEU 73 CO 0.09 1.27 -0.05 -0.07 -0.62 0.00 0.00 178.44 179.06 2k4b h LEU 74 N 0.10 -0.36 -1.93 2.25 3.38 -1.07 0.11 115.31 117.78 2k4b h LEU 74 Ca -0.07 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2k4b h LEU 74 Cb 1.33 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 2k4b h LEU 74 CO 0.13 -0.14 0.47 1.23 0.09 0.00 0.00 178.44 180.22 2k4b h GLY 75 N 0.07 0.00 0.25 0.83 0.00 -1.37 0.18 103.07 103.03 2k4b h GLY 75 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 2k4b h GLY 75 CO -0.54 0.00 -0.32 3.21 0.00 0.00 0.00 176.54 178.89 2k4b h ARG 76 N 0.00 0.11 0.03 4.80 2.47 -0.74 -3.16 114.38 117.89 2k4b h ARG 76 Ca 0.19 -0.19 0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2k4b h ARG 76 Cb 1.12 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.48 2k4b h ARG 76 CO -0.00 1.09 -0.18 -0.07 0.56 0.00 0.00 179.97 181.37 2k4b h LEU 77 N -0.77 -0.51 -1.69 3.04 3.38 0.04 -2.59 115.31 116.22 2k4b h LEU 77 Ca -0.06 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2k4b h LEU 77 Cb 1.24 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2k4b h LEU 77 CO 0.05 -0.24 -0.18 -0.37 0.09 0.00 0.00 178.44 177.79 2k4b h VAL 78 N -0.30 0.71 0.00 1.22 -1.51 -1.01 -2.33 116.25 113.03 2k4b h VAL 78 Ca 0.05 -0.73 -0.15 0.00 -1.23 0.00 0.00 66.70 64.64 2k4b h VAL 78 Cb 0.36 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 2k4b h VAL 78 CO -0.15 0.17 -0.70 0.11 -1.23 0.00 0.00 177.57 175.78 2k4b h LYS 79 N 0.00 0.00 0.00 5.19 6.56 -1.47 -3.43 116.57 123.43 2k4b h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2k4b h LYS 79 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2k4b h LYS 79 CO 0.02 0.70 0.00 1.63 -2.06 0.00 0.00 179.45 179.74 2k4b n LYS 80 N -3.45 0.00 0.00 3.15 5.02 -0.90 -5.08 118.16 116.91 2k4b n LYS 80 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2k4b n LYS 80 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.76 2k4b n LYS 80 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k4b n GLU 81 N 0.00 0.00 0.21 1.97 2.13 -1.09 -5.00 120.64 118.86 2k4b n GLU 81 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2k4b n GLU 81 Cb 0.00 -0.14 -0.04 0.00 0.27 0.00 0.00 31.44 31.52 2k4b n GLU 81 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 2k4b h MET 82 N 0.00 -0.58 -6.34 5.31 2.86 -1.93 -3.47 114.93 110.78 2k4b h MET 82 Ca 0.00 0.04 -0.62 0.00 -2.06 0.00 0.00 59.70 57.06 2k4b h MET 82 Cb 0.41 0.13 -0.15 0.00 0.06 0.00 0.00 31.60 32.06 2k4b h MET 82 CO 0.00 -0.38 -0.75 -0.51 1.06 0.00 0.00 176.91 176.32 2k4b s LEU 83 N -8.99 2.69 0.33 1.22 1.43 -1.26 -4.91 118.68 109.19 2k4b s LEU 83 Ca -0.09 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 2k4b s LEU 83 Cb 0.01 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2k4b s LEU 83 CO 0.26 0.06 0.12 -0.44 0.23 0.00 0.00 176.35 176.58 2k4b s SER 84 N -3.23 1.98 -0.03 2.29 0.01 -0.41 -3.91 113.70 110.39 2k4b s SER 84 Ca 0.27 -1.51 -0.23 0.00 1.31 0.00 0.00 55.95 55.79 2k4b s SER 84 Cb -0.06 0.26 0.05 0.00 0.21 0.00 0.00 66.02 66.47 2k4b s SER 84 CO 0.14 -0.80 0.50 0.28 0.41 0.00 0.00 173.24 173.77 2k4b s THR 85 N -3.47 0.03 0.10 1.44 -1.32 -1.26 -1.21 115.64 109.95 2k4b s THR 85 Ca 0.33 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2k4b s THR 85 Cb 0.06 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 2k4b s THR 85 CO 0.15 -0.13 -0.02 -1.83 -2.21 0.00 0.00 174.62 170.58 2k4b s GLU 86 N -1.35 0.82 -0.15 7.08 -1.05 -0.19 -4.98 118.70 118.89 2k4b s GLU 86 Ca -0.12 -1.35 -0.05 0.00 -0.15 0.00 0.00 54.97 53.30 2k4b s GLU 86 Cb -0.02 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.62 2k4b s GLU 86 CO 0.07 -0.11 0.02 0.21 0.95 0.00 0.00 175.26 176.40 2k4b s LYS 87 N -3.91 3.64 0.15 -4.83 2.36 -1.26 -0.36 119.74 115.53 2k4b s LYS 87 Ca 0.14 -0.40 0.04 0.00 -2.55 0.00 0.00 55.97 53.20 2k4b s LYS 87 Cb 0.07 -3.03 -0.05 0.00 -1.05 0.00 0.00 37.83 33.77 2k4b s LYS 87 CO -0.04 0.38 -0.07 -1.21 1.55 0.00 0.00 175.35 175.96 2k4b s GLU 88 N 0.02 1.07 0.00 4.03 0.41 -0.63 -4.98 118.70 118.62 2k4b s GLU 88 Ca 0.04 -1.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.12 2k4b s GLU 88 Cb -0.13 -0.53 0.00 0.00 -1.78 0.00 0.00 34.13 31.69 2k4b s GLU 88 CO 0.02 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 2k4b n GLY 89 N -0.21 0.00 0.13 -1.39 0.00 -1.26 -1.14 105.19 101.31 2k4b n GLY 89 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 2.00 -4.10 1.61 0.00 -1.26 -5.09 116.66 109.82 2k4b n ARG 90 Ca 0.00 -0.49 -0.15 0.00 -0.00 0.00 0.00 57.85 57.21 2k4b n ARG 90 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 32.46 31.47 2k4b n ARG 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2k4b s LYS 91 N -0.83 1.89 0.20 -0.14 1.02 -0.29 -5.18 119.74 116.41 2k4b s LYS 91 Ca 0.04 -1.76 -0.05 0.00 0.02 0.00 0.00 55.97 54.23 2k4b s LYS 91 Cb 0.04 0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 37.73 2k4b s LYS 91 CO 0.11 -0.78 0.45 -0.06 -0.92 0.00 0.00 175.35 174.15 2k4b s PHE 92 N -3.11 3.47 -0.19 3.18 0.08 -1.26 -1.60 117.98 118.55 2k4b s PHE 92 Ca 0.31 0.58 0.01 0.00 0.12 0.00 0.00 56.93 57.95 2k4b s PHE 92 Cb -0.00 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2k4b s PHE 92 CO 0.20 0.34 -0.13 0.08 -0.10 0.00 0.00 175.22 175.61 2k4b s VAL 93 N -1.83 1.74 -0.29 -0.44 1.01 0.51 -2.70 120.40 118.40 2k4b s VAL 93 Ca 0.42 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 2k4b s VAL 93 Cb -0.11 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2k4b s VAL 93 CO 0.26 0.31 0.22 -0.31 0.00 0.00 0.00 175.10 175.58 2k4b s TYR 94 N 1.38 3.22 0.09 5.22 1.51 -0.05 -1.02 117.35 127.70 2k4b s TYR 94 Ca 0.01 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2k4b s TYR 94 Cb -0.15 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 2k4b s TYR 94 CO -0.10 -0.21 -0.06 -0.98 -1.11 0.00 0.00 175.55 173.09 2k4b s ARG 95 N 1.78 0.78 0.01 -0.62 1.70 -0.35 -1.08 118.95 121.16 2k4b s ARG 95 Ca 0.07 -1.26 0.29 0.00 -0.47 0.00 0.00 55.73 54.36 2k4b s ARG 95 Cb -0.16 -0.17 1.18 0.00 -0.57 0.00 0.00 34.95 35.23 2k4b s ARG 95 CO 0.11 -0.02 1.89 -0.35 -1.08 0.00 0.00 175.30 175.85 2k4b n PRO 96 N 0.14 0.01 -3.72 3.89 -0.04 -1.26 -1.29 135.00 132.72 2k4b n PRO 96 Ca -0.13 0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.09 2k4b n PRO 96 Cb 0.60 -1.51 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 2k4b n PRO 96 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k4b n LEU 97 N -1.52 -3.08 0.00 1.53 -0.00 -1.26 -4.62 117.00 108.05 2k4b n LEU 97 Ca 0.07 -0.75 -0.18 0.00 -0.00 0.00 0.00 56.01 55.15 2k4b n LEU 97 Cb 0.34 -2.73 -0.07 0.00 -0.00 0.00 0.00 43.42 40.96 2k4b n LEU 97 CO 0.28 0.46 -0.09 0.23 -0.00 0.00 0.00 177.39 178.26 2k4b n MET 98 N -4.48 0.38 0.00 1.96 2.81 -1.26 -5.09 117.12 111.44 2k4b n MET 98 Ca -0.15 -2.95 0.00 0.00 -1.81 0.00 0.00 57.70 52.78 2k4b n MET 98 Cb 0.61 2.35 0.00 0.00 -0.71 0.00 0.00 33.22 35.47 2k4b n MET 98 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63