#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 5.48 0.26 -2.13 2.47 -1.26 -5.13 114.94 114.64 2k4b s ASN 32 Ca 0.00 0.89 -0.03 0.00 0.42 0.00 0.00 52.86 54.14 2k4b s ASN 32 Cb 0.00 -1.78 -0.02 0.00 -1.45 0.00 0.00 41.25 38.00 2k4b s ASN 32 CO 0.00 -1.22 0.30 0.68 -3.72 0.00 0.00 177.10 173.14 2k4b s VAL 33 N -3.18 0.00 0.09 -5.21 -7.23 -1.26 -5.20 120.40 98.42 2k4b s VAL 33 Ca 0.56 -1.78 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 2k4b s VAL 33 Cb -0.11 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2k4b s VAL 33 CO 0.48 0.00 0.12 -0.94 -0.31 0.00 0.00 175.10 174.45 2k4b s SER 34 N -3.17 0.25 0.26 4.85 1.04 -1.26 -5.19 113.70 110.48 2k4b s SER 34 Ca 0.34 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.83 2k4b s SER 34 Cb 0.03 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2k4b s SER 34 CO 0.15 -0.71 0.40 0.21 0.98 0.00 0.00 173.24 174.27 2k4b s ASN 35 N -2.92 0.20 0.43 7.02 3.84 -1.26 -5.07 114.94 117.19 2k4b s ASN 35 Ca 0.10 -1.17 0.12 0.00 0.21 0.00 0.00 52.86 52.12 2k4b s ASN 35 Cb 0.06 0.56 0.94 0.00 -0.55 0.00 0.00 41.25 42.26 2k4b s ASN 35 CO -0.07 -1.11 1.99 0.00 -2.79 0.00 0.00 177.10 175.12 2k4b h ALA 36 N 2.31 1.66 -2.29 1.71 0.00 -2.03 -3.41 119.26 117.21 2k4b h ALA 36 Ca -0.29 -0.15 -0.44 0.00 0.00 0.00 0.00 54.91 54.03 2k4b h ALA 36 Cb 1.25 -0.06 0.17 0.00 0.00 0.00 0.00 17.79 19.16 2k4b h ALA 36 CO 0.40 0.25 0.14 -1.83 0.00 0.00 0.00 179.25 178.21 2k4b s GLU 37 N -4.78 -0.11 0.00 0.00 -1.05 -1.26 -3.59 118.70 107.90 2k4b s GLU 37 Ca -0.05 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 2k4b s GLU 37 Cb 0.16 -1.67 0.00 0.00 -0.44 0.00 0.00 34.13 32.18 2k4b s GLU 37 CO 0.71 -3.10 0.00 -0.11 0.95 0.00 0.00 175.26 173.71 2k4b n LEU 38 N -4.43 0.00 0.00 1.83 7.94 -1.26 -4.65 117.00 116.43 2k4b n LEU 38 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2k4b n LEU 38 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2k4b n LEU 38 CO 0.57 0.00 0.31 -0.38 -1.11 0.00 0.00 177.39 176.78 2k4b n ILE 39 N 0.00 0.00 0.29 1.96 5.41 -1.25 -3.68 119.36 122.09 2k4b n ILE 39 Ca 0.00 1.09 0.15 0.00 1.00 0.00 0.00 62.75 64.99 2k4b n ILE 39 Cb 0.00 -2.02 0.88 0.00 -0.71 0.00 0.00 39.64 37.79 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 0.48 0.00 1.39 -1.51 -1.82 -3.20 116.25 111.58 2k4b h VAL 40 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2k4b h VAL 40 Cb 0.00 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2k4b h VAL 40 CO 0.00 0.04 0.00 0.80 -1.23 0.00 0.00 177.57 177.18 2k4b n MET 41 N -3.69 0.34 0.00 5.19 0.00 -1.24 -3.33 117.12 114.39 2k4b n MET 41 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2k4b n MET 41 Cb 0.14 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.88 2k4b n MET 41 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2k4b n ARG 42 N -0.98 0.00 -0.02 2.12 1.85 -1.21 -4.73 116.66 113.69 2k4b n ARG 42 Ca 0.08 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.79 2k4b n ARG 42 Cb 0.04 -0.76 -0.08 0.00 -1.05 0.00 0.00 32.46 30.60 2k4b n ARG 42 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 2k4b h VAL 43 N 0.00 0.05 -0.08 8.89 3.04 -1.70 -1.78 116.25 124.68 2k4b h VAL 43 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 2k4b h VAL 43 Cb 0.71 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2k4b h VAL 43 CO 0.00 0.00 -0.29 0.40 -1.01 0.00 0.00 177.57 176.67 2k4b h ILE 44 N -0.53 1.42 -0.36 3.17 2.04 -1.91 -3.27 117.51 118.06 2k4b h ILE 44 Ca 0.05 -1.68 0.05 0.00 1.00 0.00 0.00 64.86 64.29 2k4b h ILE 44 Cb 0.66 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 2k4b h ILE 44 CO -0.44 0.48 0.24 -0.25 0.00 0.00 0.00 178.15 178.18 2k4b h TRP 45 N -0.16 0.26 0.00 1.37 2.91 -1.77 -1.91 115.95 116.65 2k4b h TRP 45 Ca -0.01 0.01 -0.16 0.00 1.13 0.00 0.00 58.89 59.85 2k4b h TRP 45 Cb 0.93 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.47 2k4b h TRP 45 CO 0.13 0.15 -0.77 1.03 -1.03 0.00 0.00 178.44 177.94 2k4b h SER 46 N 0.26 0.00 0.14 2.65 0.87 -1.38 -3.36 113.55 112.74 2k4b h SER 46 Ca 0.15 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2k4b h SER 46 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2k4b h SER 46 CO -0.03 0.77 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.90 2k4b h LEU 47 N 0.00 -0.16 0.00 2.23 3.38 -1.44 -3.50 115.31 115.82 2k4b h LEU 47 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k4b h LEU 47 Cb 1.43 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2k4b h LEU 47 CO 0.10 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.60 2k4b n GLY 48 N 1.22 3.45 3.04 0.83 0.00 -1.02 -5.05 105.19 107.66 2k4b n GLY 48 Ca -0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 0.47 -0.07 1.61 1.03 -1.26 -4.38 118.70 116.10 2k4b s GLU 49 Ca 0.00 -0.87 -0.09 0.00 0.03 0.00 0.00 54.97 54.04 2k4b s GLU 49 Cb 0.00 0.17 0.02 0.00 -0.80 0.00 0.00 34.13 33.52 2k4b s GLU 49 CO 0.00 -0.09 0.24 0.00 -1.33 0.00 0.00 175.26 174.08 2k4b s ALA 50 N -2.58 -0.60 0.47 -0.84 0.00 -0.58 -5.00 121.76 112.63 2k4b s ALA 50 Ca -0.05 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 2k4b s ALA 50 Cb -0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2k4b s ALA 50 CO -0.05 -0.15 0.83 1.03 0.00 0.00 0.00 175.76 177.42 2k4b s ARG 51 N -0.32 3.70 0.28 0.00 0.52 -1.26 -0.50 118.95 121.37 2k4b s ARG 51 Ca -0.04 0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.63 2k4b s ARG 51 Cb -0.03 -2.32 0.47 0.00 0.52 0.00 0.00 34.95 33.59 2k4b s ARG 51 CO 0.01 -0.18 1.88 -0.24 0.02 0.00 0.00 175.30 176.79 2k4b h VAL 52 N 0.61 1.05 0.00 3.52 3.04 -1.97 -0.59 116.25 121.92 2k4b h VAL 52 Ca -0.47 -0.38 -0.04 0.00 -1.01 0.00 0.00 66.70 64.81 2k4b h VAL 52 Cb 1.19 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2k4b h VAL 52 CO 0.63 0.20 -0.18 0.44 -1.01 0.00 0.00 177.57 177.65 2k4b h ASP 53 N 1.10 0.00 -0.03 3.17 5.19 -1.94 -2.94 116.42 120.97 2k4b h ASP 53 Ca 0.43 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.74 2k4b h ASP 53 Cb 0.24 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.76 2k4b h ASP 53 CO -0.18 0.18 -0.40 -0.08 -3.12 0.00 0.00 179.24 175.64 2k4b h GLU 54 N 0.00 0.33 -0.69 3.56 4.22 -1.51 -1.71 114.58 118.78 2k4b h GLU 54 Ca -0.00 -0.31 -0.02 0.00 0.08 0.00 0.00 59.36 59.11 2k4b h GLU 54 Cb 0.92 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2k4b h GLU 54 CO 0.02 0.98 0.37 -0.84 -2.18 0.00 0.00 179.01 177.36 2k4b h ILE 55 N -0.21 1.21 -0.33 2.32 3.07 -1.47 -1.99 117.51 120.12 2k4b h ILE 55 Ca -0.04 -0.54 -0.11 0.00 1.55 0.00 0.00 64.86 65.72 2k4b h ILE 55 Cb 1.10 0.29 -0.01 0.00 -0.27 0.00 0.00 36.82 37.92 2k4b h ILE 55 CO 0.08 0.24 -0.25 0.22 -1.05 0.00 0.00 178.15 177.39 2k4b h TYR 56 N 0.96 0.74 0.00 0.16 3.20 -1.57 -3.18 116.97 117.27 2k4b h TYR 56 Ca 0.24 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2k4b h TYR 56 Cb 0.04 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2k4b h TYR 56 CO 0.01 0.84 0.00 0.00 -1.64 0.00 0.00 178.16 177.36 2k4b h ALA 57 N 1.16 1.00 0.00 1.82 0.00 -0.52 -0.19 119.26 122.53 2k4b h ALA 57 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k4b h ALA 57 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k4b h ALA 57 CO 0.06 0.00 -0.35 1.04 0.00 0.00 0.00 179.25 179.99 2k4b n GLN 58 N -2.78 0.08 -3.47 0.00 3.00 -1.17 -4.84 117.38 108.20 2k4b n GLN 58 Ca -0.02 0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 2k4b n GLN 58 Cb 0.07 -1.56 -0.08 0.00 0.00 0.00 0.00 30.24 28.67 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 -3.04 4.76 0.59 5.09 1.01 -0.08 -5.09 121.20 124.43 2k4b s ILE 59 Ca 0.11 -1.36 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 2k4b s ILE 59 Cb 0.17 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2k4b s ILE 59 CO 0.65 -0.64 1.02 -2.16 0.00 0.00 0.00 174.94 173.81 2k4b s PRO 60 N 1.52 3.61 0.00 2.79 0.04 -1.26 -4.96 135.00 136.74 2k4b s PRO 60 Ca 0.04 0.89 0.03 0.00 0.04 0.00 0.00 61.00 62.00 2k4b s PRO 60 Cb -0.25 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.37 2k4b s PRO 60 CO 0.03 -0.56 0.96 1.04 0.04 0.00 0.00 177.00 178.51 2k4b n GLN 61 N -2.32 0.04 0.17 4.56 1.13 -1.26 -1.43 117.38 118.27 2k4b n GLN 61 Ca 0.07 0.29 0.14 0.00 -1.94 0.00 0.00 57.00 55.55 2k4b n GLN 61 Cb 0.54 -1.50 0.54 0.00 0.11 0.00 0.00 30.24 29.93 2k4b n GLN 61 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2k4b h GLU 62 N 0.00 0.00 0.00 -1.09 5.08 -2.01 -2.99 114.58 113.57 2k4b h GLU 62 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k4b h GLU 62 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2k4b h GLU 62 CO 0.00 0.00 -1.74 1.28 -1.00 0.00 0.00 179.01 177.55 2k4b n LEU 63 N -2.51 0.23 0.00 1.33 4.77 -0.52 -5.03 117.00 115.28 2k4b n LEU 63 Ca 0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2k4b n LEU 63 Cb 0.27 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2k4b n LEU 63 CO 0.23 0.01 0.00 -0.62 -1.33 0.00 0.00 177.39 175.68 2k4b n GLU 64 N -2.19 -0.46 -1.95 3.23 1.02 -1.13 -4.95 120.64 114.20 2k4b n GLU 64 Ca -0.02 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 2k4b n GLU 64 Cb 0.53 -3.85 -0.03 0.00 -0.02 0.00 0.00 31.44 28.07 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 -1.93 2.45 0.68 -0.32 0.52 -1.26 -4.99 118.94 114.09 2k4b s TRP 65 Ca 0.00 0.36 -0.17 0.00 0.02 0.00 0.00 56.10 56.31 2k4b s TRP 65 Cb 0.00 -3.94 0.01 0.00 -1.15 0.00 0.00 33.47 28.39 2k4b s TRP 65 CO 0.00 -3.74 1.27 0.45 0.02 0.00 0.00 176.95 174.95 2k4b s SER 66 N 2.37 4.38 0.44 2.95 0.15 -1.26 -4.91 113.70 117.82 2k4b s SER 66 Ca 0.73 2.56 0.21 0.00 0.70 0.00 0.00 55.95 60.15 2k4b s SER 66 Cb -0.39 -2.61 1.17 0.00 -1.71 0.00 0.00 66.02 62.48 2k4b s SER 66 CO 0.32 -2.15 1.83 0.25 1.20 0.00 0.00 173.24 174.69 2k4b h LEU 67 N 0.22 0.34 -1.32 3.45 6.46 -2.00 -0.07 115.31 122.39 2k4b h LEU 67 Ca -0.50 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.35 2k4b h LEU 67 Cb 1.33 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 2k4b h LEU 67 CO 0.52 0.11 0.49 0.00 -0.62 0.00 0.00 178.44 178.93 2k4b h ALA 68 N 1.59 1.59 -0.06 1.25 0.00 -2.01 -3.11 119.26 118.53 2k4b h ALA 68 Ca 0.50 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 2k4b h ALA 68 Cb 1.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k4b h ALA 68 CO -0.17 0.32 0.03 1.15 0.00 0.00 0.00 179.25 180.58 2k4b h THR 69 N 0.88 1.09 -0.51 0.00 2.02 -1.35 -2.15 112.91 112.88 2k4b h THR 69 Ca 0.30 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 2k4b h THR 69 Cb 0.10 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2k4b h THR 69 CO -0.09 0.08 -0.08 1.62 0.37 0.00 0.00 175.52 177.42 2k4b h VAL 70 N -0.02 1.27 -0.94 3.16 3.04 -1.61 -0.13 116.25 121.03 2k4b h VAL 70 Ca 0.02 -1.21 0.02 0.00 -1.01 0.00 0.00 66.70 64.52 2k4b h VAL 70 Cb 0.10 1.00 -0.05 0.00 -2.01 0.00 0.00 31.29 30.33 2k4b h VAL 70 CO -0.00 0.43 0.62 0.11 -1.01 0.00 0.00 177.57 177.71 2k4b h LYS 71 N 0.83 1.19 -0.02 4.17 1.57 -1.53 0.34 116.57 123.12 2k4b h LYS 71 Ca 0.14 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 2k4b h LYS 71 Cb 0.63 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2k4b h LYS 71 CO 0.04 0.79 -0.90 0.00 -0.57 0.00 0.00 179.45 178.81 2k4b h THR 72 N 1.22 1.39 -0.35 -0.16 1.03 -1.21 -3.00 112.91 111.84 2k4b h THR 72 Ca 0.36 -2.38 -0.06 0.00 -0.01 0.00 0.00 66.41 64.32 2k4b h THR 72 Cb -0.06 2.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.35 2k4b h THR 72 CO -0.10 0.71 -0.01 0.25 -0.01 0.00 0.00 175.52 176.37 2k4b h LEU 73 N 0.25 0.62 -0.21 0.00 6.46 -0.57 -2.22 115.31 119.63 2k4b h LEU 73 Ca -0.07 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.44 2k4b h LEU 73 Cb 1.52 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 41.22 2k4b h LEU 73 CO 0.16 0.78 -0.29 -0.07 -0.62 0.00 0.00 178.44 178.39 2k4b h LEU 74 N 0.44 -0.93 -1.82 2.25 3.38 -1.05 -0.70 115.31 116.88 2k4b h LEU 74 Ca 0.10 0.15 0.25 0.00 0.09 0.00 0.00 57.88 58.47 2k4b h LEU 74 Cb 0.47 0.42 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2k4b h LEU 74 CO 0.02 -0.32 0.64 1.23 0.09 0.00 0.00 178.44 180.09 2k4b h GLY 75 N -0.32 0.32 1.07 0.83 0.00 -1.34 0.33 103.07 103.97 2k4b h GLY 75 Ca 0.12 -0.06 -0.23 0.00 0.00 0.00 0.00 47.33 47.15 2k4b h GLY 75 CO -0.39 -0.01 -0.92 3.21 0.00 0.00 0.00 176.54 178.42 2k4b h ARG 76 N 0.14 0.60 -0.17 4.80 2.47 -0.55 -2.20 114.38 119.47 2k4b h ARG 76 Ca 0.45 -0.67 0.02 0.00 -1.26 0.00 0.00 59.98 58.53 2k4b h ARG 76 Cb 1.56 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 30.05 2k4b h ARG 76 CO -0.07 1.27 0.03 -0.07 0.56 0.00 0.00 179.97 181.68 2k4b h LEU 77 N 0.22 -0.00 -0.84 3.04 3.38 0.46 -2.54 115.31 119.03 2k4b h LEU 77 Ca -0.12 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 2k4b h LEU 77 Cb 1.60 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2k4b h LEU 77 CO 0.18 0.03 -0.32 -0.37 0.09 0.00 0.00 178.44 178.05 2k4b h VAL 78 N 0.10 1.28 0.00 1.22 -1.51 -0.95 -1.53 116.25 114.86 2k4b h VAL 78 Ca 0.08 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 2k4b h VAL 78 Cb 0.07 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 2k4b h VAL 78 CO -0.11 0.44 0.00 0.29 -1.23 0.00 0.00 177.57 176.96 2k4b n LYS 79 N -4.08 0.10 0.00 5.19 4.76 -0.83 -4.29 118.16 119.02 2k4b n LYS 79 Ca -0.01 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 2k4b n LYS 79 Cb 0.45 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2k4b n LYS 79 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4b n LYS 80 N -1.91 0.00 0.00 1.97 5.02 -0.70 -5.07 118.16 117.46 2k4b n LYS 80 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2k4b n LYS 80 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 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 -0.12 1.97 2.13 -0.66 -5.03 120.64 118.93 2k4b n GLU 81 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2k4b n GLU 81 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 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 0.75 -3.25 5.31 0.00 -1.86 -3.47 114.93 112.41 2k4b h MET 82 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 59.70 59.29 2k4b h MET 82 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 31.60 31.57 2k4b h MET 82 CO 0.00 0.95 0.17 -0.48 0.00 0.00 0.00 176.91 177.55 2k4b s LEU 83 N -9.12 0.23 0.48 1.22 2.34 -1.26 -4.86 118.68 107.70 2k4b s LEU 83 Ca -0.12 -1.22 0.02 0.00 0.06 0.00 0.00 54.13 52.87 2k4b s LEU 83 Cb 0.10 2.55 -0.03 0.00 -0.56 0.00 0.00 46.19 48.25 2k4b s LEU 83 CO 0.82 -1.60 0.01 -0.44 -1.06 0.00 0.00 176.35 174.08 2k4b s SER 84 N -3.11 3.98 -0.13 1.48 0.01 -0.49 -4.32 113.70 111.12 2k4b s SER 84 Ca 0.19 -1.60 -0.15 0.00 1.31 0.00 0.00 55.95 55.70 2k4b s SER 84 Cb -0.04 0.36 0.04 0.00 0.21 0.00 0.00 66.02 66.58 2k4b s SER 84 CO 0.13 -0.79 0.40 0.28 0.41 0.00 0.00 173.24 173.68 2k4b s THR 85 N -2.88 0.01 0.02 1.44 -1.32 -1.26 -1.29 115.64 110.36 2k4b s THR 85 Ca 0.12 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 2k4b s THR 85 Cb 0.03 -0.59 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 2k4b s THR 85 CO 0.06 -0.04 -0.03 -1.83 -2.21 0.00 0.00 174.62 170.58 2k4b s GLU 86 N -0.04 0.28 -0.27 7.08 -1.05 -0.54 -4.96 118.70 119.20 2k4b s GLU 86 Ca -0.02 -0.45 -0.08 0.00 -0.15 0.00 0.00 54.97 54.27 2k4b s GLU 86 Cb -0.03 -0.02 -0.03 0.00 -0.44 0.00 0.00 34.13 33.61 2k4b s GLU 86 CO 0.01 -0.01 0.10 0.21 0.95 0.00 0.00 175.26 176.52 2k4b s LYS 87 N -1.01 3.61 0.67 -4.83 2.20 -1.26 -0.41 119.74 118.71 2k4b s LYS 87 Ca -0.10 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 54.92 2k4b s LYS 87 Cb -0.07 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2k4b s LYS 87 CO -0.00 -0.24 1.01 -2.00 -0.36 0.00 0.00 175.35 173.76 2k4b s GLU 88 N 1.63 2.58 0.00 4.03 -6.30 -0.17 -4.98 118.70 115.49 2k4b s GLU 88 Ca 0.06 0.04 0.06 0.00 -2.50 0.00 0.00 54.97 52.63 2k4b s GLU 88 Cb -0.16 -2.15 0.31 0.00 0.00 0.00 0.00 34.13 32.14 2k4b s GLU 88 CO 0.05 -1.04 1.05 0.41 0.02 0.00 0.00 175.26 175.75 2k4b n GLY 89 N -2.86 -0.49 0.34 -1.50 0.00 -1.26 -3.46 105.19 95.95 2k4b n GLY 89 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.29 0.00 -3.99 1.61 1.74 -1.26 -5.15 116.66 108.33 2k4b n ARG 90 Ca 0.03 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 2k4b n ARG 90 Cb 0.05 -0.75 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 2k4b n ARG 90 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2k4b s LYS 91 N -1.85 1.91 0.28 5.56 1.02 -1.23 -5.17 119.74 120.28 2k4b s LYS 91 Ca 0.00 -1.53 -0.28 0.00 0.02 0.00 0.00 55.97 54.18 2k4b s LYS 91 Cb 0.00 0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 37.72 2k4b s LYS 91 CO 0.00 -0.83 0.96 -0.06 -0.92 0.00 0.00 175.35 174.50 2k4b s PHE 92 N -3.11 3.81 -0.25 3.18 0.08 -1.26 -1.00 117.98 119.43 2k4b s PHE 92 Ca 0.24 1.84 0.02 0.00 0.12 0.00 0.00 56.93 59.15 2k4b s PHE 92 Cb -0.02 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.51 2k4b s PHE 92 CO 0.15 0.25 -0.10 0.08 -0.10 0.00 0.00 175.22 175.50 2k4b s VAL 93 N -1.39 1.97 -0.40 -0.44 1.01 0.45 -3.34 120.40 118.26 2k4b s VAL 93 Ca 0.46 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 2k4b s VAL 93 Cb -0.23 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.05 2k4b s VAL 93 CO 0.29 -0.02 0.72 -0.31 0.00 0.00 0.00 175.10 175.77 2k4b s TYR 94 N 1.20 3.07 0.08 5.22 2.02 0.34 -1.47 117.35 127.81 2k4b s TYR 94 Ca -0.07 0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.78 2k4b s TYR 94 Cb -0.19 -3.41 0.01 0.00 -0.40 0.00 0.00 41.96 37.97 2k4b s TYR 94 CO -0.06 -0.81 0.27 -0.98 -1.57 0.00 0.00 175.55 172.40 2k4b s ARG 95 N 3.01 0.87 -0.00 -0.62 1.70 -0.41 -1.52 118.95 121.97 2k4b s ARG 95 Ca 0.27 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.49 2k4b s ARG 95 Cb -0.13 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2k4b s ARG 95 CO 0.19 -0.29 1.08 -1.25 -1.08 0.00 0.00 175.30 173.94 2k4b s PRO 96 N -3.36 4.48 0.00 3.89 0.04 -1.26 -1.40 135.00 137.39 2k4b s PRO 96 Ca 0.01 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2k4b s PRO 96 Cb 0.02 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2k4b s PRO 96 CO -0.08 -0.19 0.00 1.28 0.04 0.00 0.00 177.00 178.04 2k4b n LEU 97 N 4.20 0.00 0.00 -3.56 4.32 -1.26 -4.95 117.00 115.75 2k4b n LEU 97 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2k4b n LEU 97 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2k4b n LEU 97 CO 0.53 -0.33 0.04 1.15 -1.22 0.00 0.00 177.39 177.57 2k4b n MET 98 N -0.65 0.17 0.00 3.23 0.00 -1.26 -5.04 117.12 113.57 2k4b n MET 98 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.62 2k4b n MET 98 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 33.22 32.73 2k4b n MET 98 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06