#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbz n VAL 10 N 0.00 3.74 -3.88 2.53 3.14 -1.26 -5.03 118.33 117.58 3kbz n VAL 10 Ca 0.00 -0.43 -0.11 0.00 -2.96 0.00 0.00 64.34 60.84 3kbz n VAL 10 Cb 0.00 -1.27 -0.13 0.00 -1.06 0.00 0.00 33.84 31.39 3kbz n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3kbz s ASN 11 N -1.52 0.01 0.33 6.55 3.84 -1.26 -5.09 114.94 117.79 3kbz s ASN 11 Ca 0.78 -0.04 0.10 0.00 0.21 0.00 0.00 52.86 53.91 3kbz s ASN 11 Cb -0.37 0.13 -0.06 0.00 -0.55 0.00 0.00 41.25 40.40 3kbz s ASN 11 CO 0.46 -0.12 -0.11 0.42 -2.79 0.00 0.00 177.10 174.96 3kbz s THR 12 N -0.42 2.28 0.21 -5.21 -4.23 -1.26 -1.92 115.64 105.09 3kbz s THR 12 Ca -0.05 -2.23 -0.10 0.00 -1.18 0.00 0.00 61.69 58.13 3kbz s THR 12 Cb -0.03 -2.60 0.14 0.00 1.34 0.00 0.00 72.50 71.35 3kbz s THR 12 CO 0.00 -0.23 1.79 0.25 -0.54 0.00 0.00 174.62 175.89 3kbz h LEU 13 N 2.06 0.48 0.04 4.79 5.85 -1.40 0.78 115.31 127.90 3kbz h LEU 13 Ca -0.42 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.35 3kbz h LEU 13 Cb 1.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3kbz h LEU 13 CO 0.69 0.31 -0.06 0.74 -0.34 0.00 0.00 178.44 179.78 3kbz h THR 14 N 0.62 0.86 -0.34 1.05 2.02 -1.96 0.22 112.91 115.38 3kbz h THR 14 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 3kbz h THR 14 Cb 0.22 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3kbz h THR 14 CO -0.20 0.00 0.19 -0.09 0.37 0.00 0.00 175.52 175.78 3kbz h ARG 15 N -0.12 0.47 0.28 6.66 2.43 -1.86 -0.75 114.38 121.50 3kbz h ARG 15 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3kbz h ARG 15 Cb 0.13 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3kbz h ARG 15 CO -0.03 0.39 -0.26 0.35 -1.51 0.00 0.00 179.97 178.91 3kbz h PHE 16 N 0.42 -0.69 -0.75 2.20 3.57 -0.66 -1.28 116.94 119.74 3kbz h PHE 16 Ca 0.12 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3kbz h PHE 16 Cb 0.06 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3kbz h PHE 16 CO -0.03 -0.38 0.47 0.28 -2.23 0.00 0.00 178.31 176.42 3kbz h VAL 17 N -0.56 1.08 -0.58 1.41 2.07 -0.88 -1.32 116.25 117.47 3kbz h VAL 17 Ca -0.01 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3kbz h VAL 17 Cb 0.51 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3kbz h VAL 17 CO -0.04 0.16 0.14 -0.03 0.02 0.00 0.00 177.57 177.82 3kbz h MET 18 N 0.89 0.89 -0.11 1.57 1.85 -0.92 -1.21 114.93 117.89 3kbz h MET 18 Ca 0.31 -0.19 -0.04 0.00 -0.61 0.00 0.00 59.70 59.17 3kbz h MET 18 Cb 0.06 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 31.96 3kbz h MET 18 CO -0.13 0.80 -0.09 1.49 -0.40 0.00 0.00 176.91 178.58 3kbz h GLU 19 N 0.86 0.26 -0.60 0.39 4.57 -0.65 -1.47 114.58 117.94 3kbz h GLU 19 Ca 0.19 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3kbz h GLU 19 Cb 0.31 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 3kbz h GLU 19 CO -0.00 0.65 0.30 0.93 -1.18 0.00 0.00 179.01 179.71 3kbz h GLU 20 N -0.13 0.83 -0.56 1.92 4.39 -1.18 -1.60 114.58 118.26 3kbz h GLU 20 Ca 0.02 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 3kbz h GLU 20 Cb 0.59 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3kbz h GLU 20 CO 0.02 0.64 0.00 0.78 -1.16 0.00 0.00 179.01 179.29 3kbz h GLY 21 N 0.92 1.04 1.01 -3.84 0.00 -1.11 -2.13 103.07 98.95 3kbz h GLY 21 Ca 0.21 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3kbz h GLY 21 CO -0.03 0.68 0.15 3.21 0.00 0.00 0.00 176.54 180.55 3kbz h ARG 22 N 0.89 0.92 -0.33 4.80 3.08 -0.57 -2.75 114.38 120.42 3kbz h ARG 22 Ca 0.16 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3kbz h ARG 22 Cb 0.52 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3kbz h ARG 22 CO 0.03 0.85 0.02 0.87 -1.07 0.00 0.00 179.97 180.66 3kbz h LYS 23 N 0.83 0.51 0.00 0.04 1.57 -1.09 -2.31 116.57 116.13 3kbz h LYS 23 Ca 0.18 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kbz h LYS 23 Cb 0.34 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3kbz h LYS 23 CO 0.00 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.40 3kbz h ALA 24 N 1.53 1.00 -6.42 3.86 0.00 -1.09 -3.47 119.26 114.67 3kbz h ALA 24 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.53 3kbz h ALA 24 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kbz h ALA 24 CO 0.01 0.00 -0.89 0.54 0.00 0.00 0.00 179.25 178.91 3kbz n ARG 25 N -2.39 -3.23 0.00 0.00 1.74 -0.87 -4.98 116.66 106.92 3kbz n ARG 25 Ca 0.02 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 3kbz n ARG 25 Cb 0.27 -4.54 0.00 0.00 -1.02 0.00 0.00 32.46 27.18 3kbz n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kbz n GLY 26 N -1.91 3.09 0.03 -0.13 0.00 -1.26 -5.02 105.19 99.99 3kbz n GLY 26 Ca -0.29 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.00 3kbz n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kbz n THR 27 N 0.00 0.16 -0.48 2.61 -2.24 -1.26 -4.94 114.28 108.13 3kbz n THR 27 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3kbz n THR 27 Cb 0.00 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3kbz n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbz n GLY 28 N 1.42 0.74 0.13 3.38 0.00 -1.26 -4.97 105.19 104.64 3kbz n GLY 28 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3kbz n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kbz h GLU 29 N 3.83 -0.23 -0.56 1.61 5.08 -1.97 -2.27 114.58 120.06 3kbz h GLU 29 Ca 0.00 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3kbz h GLU 29 Cb 0.00 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3kbz h GLU 29 CO 0.00 -0.15 0.38 1.25 -1.00 0.00 0.00 179.01 179.48 3kbz h LEU 30 N -0.24 0.44 -0.32 1.33 5.85 -1.93 0.89 115.31 121.33 3kbz h LEU 30 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3kbz h LEU 30 Cb 0.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3kbz h LEU 30 CO 0.03 0.28 0.17 0.74 -0.34 0.00 0.00 178.44 179.32 3kbz h THR 31 N 0.50 1.14 -0.20 1.05 2.02 -1.80 0.06 112.91 115.68 3kbz h THR 31 Ca 0.25 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 3kbz h THR 31 Cb 0.33 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3kbz h THR 31 CO -0.07 0.15 -0.25 1.56 0.37 0.00 0.00 175.52 177.28 3kbz h GLN 32 N 0.39 0.37 -0.11 6.66 1.08 -0.55 -0.46 115.11 122.49 3kbz h GLN 32 Ca 0.11 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3kbz h GLN 32 Cb 0.08 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3kbz h GLN 32 CO -0.02 0.60 -0.02 1.25 -0.95 0.00 0.00 178.83 179.69 3kbz h LEU 33 N 0.33 0.21 -0.79 1.46 6.46 -0.53 -1.64 115.31 120.81 3kbz h LEU 33 Ca 0.05 -0.36 -0.08 0.00 -0.12 0.00 0.00 57.88 57.38 3kbz h LEU 33 Cb 0.62 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3kbz h LEU 33 CO 0.04 0.51 0.06 -0.07 -0.62 0.00 0.00 178.44 178.36 3kbz h LEU 34 N -0.11 0.94 -0.57 2.25 3.38 -0.81 -0.39 115.31 120.00 3kbz h LEU 34 Ca 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3kbz h LEU 34 Cb 0.42 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kbz h LEU 34 CO 0.01 0.96 0.31 0.78 0.09 0.00 0.00 178.44 180.59 3kbz h ASN 35 N 0.91 0.72 -0.68 -0.43 -0.26 -1.05 0.76 115.58 115.55 3kbz h ASN 35 Ca 0.18 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 3kbz h ASN 35 Cb 0.45 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 3kbz h ASN 35 CO 0.02 0.60 0.23 0.28 -1.06 0.00 0.00 177.43 177.50 3kbz h SER 36 N 0.77 0.98 -0.52 5.81 0.02 -0.93 -1.63 113.55 118.05 3kbz h SER 36 Ca 0.20 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3kbz h SER 36 Cb 0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3kbz h SER 36 CO -0.03 0.92 0.11 0.25 -1.14 0.00 0.00 176.83 176.93 3kbz h LEU 37 N 0.99 0.81 -0.34 5.07 5.85 -0.66 -1.32 115.31 125.71 3kbz h LEU 37 Ca 0.22 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3kbz h LEU 37 Cb 0.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3kbz h LEU 37 CO -0.01 0.85 0.13 0.00 -0.34 0.00 0.00 178.44 179.07 3kbz h THR 39 N 0.29 1.19 -0.81 0.00 2.02 -1.04 -2.19 112.91 112.36 3kbz h THR 39 Ca 0.15 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 3kbz h THR 39 Cb 0.10 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 3kbz h THR 39 CO -0.14 0.19 0.36 0.00 0.37 0.00 0.00 175.52 176.31 3kbz h ALA 40 N 1.20 1.11 -0.62 6.16 0.00 -0.62 -2.29 119.26 124.22 3kbz h ALA 40 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kbz h ALA 40 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3kbz h ALA 40 CO -0.04 0.65 0.29 0.28 0.00 0.00 0.00 179.25 180.43 3kbz h VAL 41 N 1.16 1.22 -0.74 0.00 2.07 -0.66 0.28 116.25 119.59 3kbz h VAL 41 Ca 0.28 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3kbz h VAL 41 Cb 0.15 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3kbz h VAL 41 CO -0.03 0.25 0.34 0.11 0.02 0.00 0.00 177.57 178.26 3kbz h LYS 42 N 0.85 1.06 -0.48 1.57 1.57 -1.16 0.15 116.57 120.12 3kbz h LYS 42 Ca 0.21 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3kbz h LYS 42 Cb 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3kbz h LYS 42 CO -0.03 0.83 -0.20 0.00 -0.57 0.00 0.00 179.45 179.49 3kbz h ALA 43 N 1.32 0.73 -0.24 3.86 0.00 -0.92 -0.93 119.26 123.08 3kbz h ALA 43 Ca 0.25 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3kbz h ALA 43 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kbz h ALA 43 CO -0.03 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.75 3kbz h ILE 44 N 0.85 1.23 -0.36 0.00 2.04 -0.46 -2.30 117.51 118.51 3kbz h ILE 44 Ca 0.11 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.25 3kbz h ILE 44 Cb 0.77 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 3kbz h ILE 44 CO 0.06 0.25 0.06 -1.28 0.00 0.00 0.00 178.15 177.23 3kbz h SER 45 N 0.20 -0.02 -0.63 1.72 0.87 -0.55 0.21 113.55 115.34 3kbz h SER 45 Ca 0.07 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 3kbz h SER 45 Cb 0.33 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 3kbz h SER 45 CO 0.01 0.02 0.28 -1.28 -0.53 0.00 0.00 176.83 175.33 3kbz h SER 46 N 0.17 0.33 -0.16 6.23 0.87 -1.03 -0.21 113.55 119.74 3kbz h SER 46 Ca 0.17 0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.65 3kbz h SER 46 Cb 0.20 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3kbz h SER 46 CO -0.24 0.19 -0.44 0.00 -0.53 0.00 0.00 176.83 175.82 3kbz h ALA 47 N 1.41 0.70 -0.49 6.23 0.00 -0.76 -2.48 119.26 123.87 3kbz h ALA 47 Ca 0.31 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3kbz h ALA 47 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kbz h ALA 47 CO -0.28 0.67 -0.08 0.28 0.00 0.00 0.00 179.25 179.85 3kbz h VAL 48 N 0.57 1.26 0.00 0.00 2.07 0.15 -0.99 116.25 119.31 3kbz h VAL 48 Ca 0.04 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3kbz h VAL 48 Cb 0.99 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3kbz h VAL 48 CO 0.09 0.41 0.00 0.54 0.02 0.00 0.00 177.57 178.63 3kbz n ARG 49 N -4.17 0.71 -2.60 1.57 3.00 -0.16 -4.87 116.66 110.13 3kbz n ARG 49 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.74 3kbz n ARG 49 Cb 0.36 -1.25 0.02 0.00 0.00 0.00 0.00 32.46 31.59 3kbz n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kbz n LYS 50 N -0.75 -2.42 -1.84 5.56 4.76 -0.38 -4.98 118.16 118.12 3kbz n LYS 50 Ca 0.08 0.51 -0.42 0.00 -2.87 0.00 0.00 58.31 55.62 3kbz n LYS 50 Cb 0.04 -4.53 -0.02 0.00 -1.84 0.00 0.00 35.03 28.67 3kbz n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kbz s ALA 51 N -2.83 3.73 0.00 7.82 0.00 -0.94 -2.03 121.76 127.51 3kbz s ALA 51 Ca 0.14 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3kbz s ALA 51 Cb -0.06 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3kbz s ALA 51 CO 0.17 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3kbz n GLY 52 N 2.41 0.55 0.32 0.00 0.00 -1.26 -4.88 105.19 102.33 3kbz n GLY 52 Ca 0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.28 3kbz n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kbz h ILE 53 N 0.00 0.37 -0.47 -0.61 2.10 -1.81 -1.21 117.51 115.88 3kbz h ILE 53 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.95 3kbz h ILE 53 Cb 0.12 0.91 -0.02 0.00 -1.09 0.00 0.00 36.82 36.74 3kbz h ILE 53 CO 0.00 0.00 0.31 0.00 -1.08 0.00 0.00 178.15 177.38 3kbz h ALA 54 N 1.86 1.67 -0.05 0.18 0.00 -1.90 -0.93 119.26 120.10 3kbz h ALA 54 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3kbz h ALA 54 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kbz h ALA 54 CO -0.00 0.30 -0.45 0.45 0.00 0.00 0.00 179.25 179.55 3kbz h HIS 55 N 0.63 0.13 0.00 0.00 3.86 -1.62 -2.04 115.15 116.11 3kbz h HIS 55 Ca 0.17 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3kbz h HIS 55 Cb -0.06 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3kbz h HIS 55 CO -0.00 0.54 -0.20 1.25 0.86 0.00 0.00 177.93 180.38 3kbz h LEU 56 N 0.09 0.00 -3.24 2.43 7.12 -1.24 -2.94 115.31 117.53 3kbz h LEU 56 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3kbz h LEU 56 Cb 0.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 3kbz h LEU 56 CO 0.06 0.20 0.00 -1.22 -0.13 0.00 0.00 178.44 177.36 3kbz n TYR 57 N -3.57 1.59 -0.81 1.25 4.02 -0.82 -4.97 117.16 113.86 3kbz n TYR 57 Ca -0.01 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 3kbz n TYR 57 Cb 0.35 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3kbz n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kbz n GLY 58 N 0.96 0.57 0.28 2.72 0.00 -1.11 -4.95 105.19 103.65 3kbz n GLY 58 Ca 0.26 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.59 3kbz n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kbz h ILE 59 N 0.00 0.92 -0.46 -0.61 2.10 -1.64 -0.11 117.51 117.70 3kbz h ILE 59 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3kbz h ILE 59 Cb 0.07 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 3kbz h ILE 59 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3kbz n ALA 60 N -2.53 3.02 -0.48 0.18 0.00 -1.26 -5.07 120.51 114.37 3kbz n ALA 60 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.63 3kbz n ALA 60 Cb 0.15 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3kbz n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbz n GLY 61 N 0.42 0.75 0.00 0.00 0.00 -0.06 -5.21 105.19 101.10 3kbz n GLY 61 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3kbz n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kbz n VAL 70 N -2.30 0.00 -1.29 1.61 0.31 -1.26 -4.75 118.33 110.66 3kbz n VAL 70 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3kbz n VAL 70 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 3kbz n VAL 70 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3kbz s LYS 71 N 0.00 2.26 0.54 5.55 -2.85 -1.26 -4.98 119.74 119.00 3kbz s LYS 71 Ca 0.00 1.12 -0.20 0.00 -1.00 0.00 0.00 55.97 55.89 3kbz s LYS 71 Cb 0.00 -1.90 -0.05 0.00 -2.06 0.00 0.00 37.83 33.82 3kbz s LYS 71 CO 0.00 -1.63 1.20 0.21 0.10 0.00 0.00 175.35 175.23 3kbz s LYS 72 N -4.92 3.28 0.23 1.78 2.47 -1.26 -4.82 119.74 116.49 3kbz s LYS 72 Ca 0.61 1.82 -0.07 0.00 -1.56 0.00 0.00 55.97 56.77 3kbz s LYS 72 Cb -0.17 -2.11 0.30 0.00 -1.46 0.00 0.00 37.83 34.39 3kbz s LYS 72 CO 0.56 -0.96 1.84 -0.07 0.16 0.00 0.00 175.35 176.88 3kbz h LEU 73 N 1.33 0.75 -0.87 5.43 4.07 -1.98 -0.18 115.31 123.86 3kbz h LEU 73 Ca -0.50 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.40 3kbz h LEU 73 Cb 1.28 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.86 3kbz h LEU 73 CO 0.57 0.49 0.04 -2.24 -1.08 0.00 0.00 178.44 176.21 3kbz h ASP 74 N 0.89 0.84 -0.19 -0.43 -0.00 -1.92 0.72 116.42 116.33 3kbz h ASP 74 Ca 0.35 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.03 57.15 3kbz h ASP 74 Cb 0.16 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.26 3kbz h ASP 74 CO -0.17 0.88 -0.01 0.58 -0.00 0.00 0.00 179.24 180.51 3kbz h VAL 75 N 0.82 1.27 -0.30 4.15 2.07 -1.80 -1.21 116.25 121.25 3kbz h VAL 75 Ca 0.16 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kbz h VAL 75 Cb 0.44 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3kbz h VAL 75 CO 0.02 0.27 0.18 0.25 0.02 0.00 0.00 177.57 178.31 3kbz h LEU 76 N 0.08 0.35 -0.68 2.57 5.85 -0.85 -0.15 115.31 122.47 3kbz h LEU 76 Ca 0.05 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3kbz h LEU 76 Cb 0.42 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3kbz h LEU 76 CO 0.01 0.30 0.44 0.28 -0.34 0.00 0.00 178.44 179.12 3kbz h SER 77 N 0.38 0.73 -0.70 1.25 0.02 -0.79 0.61 113.55 115.05 3kbz h SER 77 Ca 0.11 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3kbz h SER 77 Cb 0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3kbz h SER 77 CO -0.02 0.51 0.32 -1.13 -1.14 0.00 0.00 176.83 175.37 3kbz h ASN 78 N 0.87 0.93 -0.47 3.07 -0.73 -0.85 -1.92 115.58 116.47 3kbz h ASN 78 Ca 0.27 -0.15 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 3kbz h ASN 78 Cb -0.02 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 3kbz h ASN 78 CO -0.09 0.81 0.11 0.44 -0.37 0.00 0.00 177.43 178.34 3kbz h ASP 79 N 0.98 0.72 0.12 1.15 3.32 -0.27 -0.93 116.42 121.51 3kbz h ASP 79 Ca 0.24 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3kbz h ASP 79 Cb 0.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3kbz h ASP 79 CO -0.03 0.76 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.04 3kbz h LEU 80 N 0.64 -0.41 0.05 1.55 3.38 -0.61 0.67 115.31 120.58 3kbz h LEU 80 Ca 0.15 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kbz h LEU 80 Cb 0.33 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kbz h LEU 80 CO 0.00 -0.22 -0.03 0.58 0.09 0.00 0.00 178.44 178.86 3kbz h VAL 81 N -0.31 1.03 -0.14 1.22 2.07 -1.32 -0.89 116.25 117.91 3kbz h VAL 81 Ca 0.01 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3kbz h VAL 81 Cb 0.31 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3kbz h VAL 81 CO -0.06 0.07 -0.24 0.24 0.02 0.00 0.00 177.57 177.59 3kbz h MET 82 N -0.19 -0.29 -0.52 1.57 2.86 -1.06 0.08 114.93 117.38 3kbz h MET 82 Ca -0.01 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3kbz h MET 82 Cb 0.16 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3kbz h MET 82 CO 0.01 -0.20 0.21 -0.97 1.06 0.00 0.00 176.91 177.02 3kbz h ASN 83 N -0.30 0.72 -0.42 1.22 -1.24 -0.80 -0.71 115.58 114.05 3kbz h ASN 83 Ca 0.10 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 56.88 3kbz h ASN 83 Cb 0.46 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 3kbz h ASN 83 CO -0.32 0.70 0.00 0.24 -1.29 0.00 0.00 177.43 176.76 3kbz h MET 84 N 0.70 0.74 -0.30 6.67 2.86 -0.92 -1.48 114.93 123.20 3kbz h MET 84 Ca 0.17 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3kbz h MET 84 Cb 0.20 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kbz h MET 84 CO -0.01 0.82 0.07 -0.07 1.06 0.00 0.00 176.91 178.77 3kbz h LEU 85 N 0.58 0.46 -0.09 1.22 3.38 -0.89 -2.22 115.31 117.75 3kbz h LEU 85 Ca 0.12 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kbz h LEU 85 Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3kbz h LEU 85 CO 0.02 0.57 -0.01 0.11 0.09 0.00 0.00 178.44 179.23 3kbz h LYS 86 N 0.32 0.02 0.00 1.13 1.57 -1.08 -2.09 116.57 116.43 3kbz h LYS 86 Ca 0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kbz h LYS 86 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3kbz h LYS 86 CO 0.00 0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 177.76 3kbz n SER 87 N -5.12 0.00 0.13 0.86 3.41 -0.56 -2.25 113.62 110.08 3kbz n SER 87 Ca -0.05 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.94 3kbz n SER 87 Cb 0.07 -0.35 0.29 0.00 -0.26 0.00 0.00 64.21 63.95 3kbz n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kbz h SER 88 N 0.00 0.00 -0.39 4.04 4.64 -0.73 -3.47 113.55 117.64 3kbz h SER 88 Ca 0.00 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 3kbz h SER 88 Cb 0.12 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.14 3kbz h SER 88 CO 0.00 0.02 -0.15 0.49 -0.87 0.00 0.00 176.83 176.32 3kbz n PHE 89 N -2.47 0.00 0.56 4.77 3.01 -0.95 -4.76 117.46 117.61 3kbz n PHE 89 Ca 0.05 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.57 3kbz n PHE 89 Cb 0.46 -2.08 0.02 0.00 -0.01 0.00 0.00 39.48 37.87 3kbz n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kbz n ALA 90 N 1.15 2.78 -2.49 4.37 0.00 -1.26 -3.18 120.51 121.87 3kbz n ALA 90 Ca -0.08 -0.53 -0.24 0.00 0.00 0.00 0.00 53.44 52.59 3kbz n ALA 90 Cb 0.43 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 3kbz n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kbz s THR 91 N -1.40 2.21 0.00 0.00 -4.23 -1.26 -0.51 115.64 110.45 3kbz s THR 91 Ca 0.12 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3kbz s THR 91 Cb 0.11 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3kbz s THR 91 CO 0.26 -0.30 0.00 0.00 -0.54 0.00 0.00 174.62 174.04 3kbz s VAL 93 N -1.25 0.59 -0.13 0.00 1.01 -1.25 -1.24 120.40 118.13 3kbz s VAL 93 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3kbz s VAL 93 Cb 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.78 3kbz s VAL 93 CO 0.00 0.25 -0.15 -0.76 0.00 0.00 0.00 175.10 174.44 3kbz s LEU 94 N 1.06 1.71 -0.18 3.92 1.43 -0.08 -1.62 118.68 124.93 3kbz s LEU 94 Ca -0.09 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3kbz s LEU 94 Cb -0.14 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3kbz s LEU 94 CO -0.01 -0.02 -0.11 -0.69 0.23 0.00 0.00 176.35 175.76 3kbz s VAL 95 N 1.22 2.99 0.16 -1.59 1.01 0.04 -0.62 120.40 123.61 3kbz s VAL 95 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3kbz s VAL 95 Cb -0.14 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3kbz s VAL 95 CO -0.06 0.48 -0.04 -0.55 0.00 0.00 0.00 175.10 174.94 3kbz s SER 96 N 1.02 1.44 0.27 3.32 0.15 -1.26 0.45 113.70 119.09 3kbz s SER 96 Ca -0.01 -1.11 -0.02 0.00 0.70 0.00 0.00 55.95 55.51 3kbz s SER 96 Cb -0.15 0.06 0.36 0.00 -1.71 0.00 0.00 66.02 64.59 3kbz s SER 96 CO -0.02 -0.48 1.82 -0.08 1.20 0.00 0.00 173.24 175.68 3kbz h GLU 97 N 2.73 0.91 -0.46 5.44 4.81 -1.95 -3.26 114.58 122.79 3kbz h GLU 97 Ca -0.37 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 58.76 3kbz h GLU 97 Cb 1.20 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 3kbz h GLU 97 CO 0.63 0.79 0.13 0.93 -0.73 0.00 0.00 179.01 180.76 3kbz h GLU 98 N 0.88 0.28 -4.78 1.92 4.39 -1.97 -3.40 114.58 111.89 3kbz h GLU 98 Ca 0.20 -0.02 -0.67 0.00 0.34 0.00 0.00 59.36 59.21 3kbz h GLU 98 Cb 0.26 -0.06 -0.20 0.00 -0.10 0.00 0.00 28.75 28.65 3kbz h GLU 98 CO -0.01 0.18 -0.52 0.34 -1.16 0.00 0.00 179.01 177.84 3kbz s ASP 99 N -5.35 5.80 0.38 1.42 2.15 -1.23 -4.96 116.67 114.89 3kbz s ASP 99 Ca -0.13 -0.38 0.22 0.00 0.43 0.00 0.00 52.55 52.69 3kbz s ASP 99 Cb 0.14 -2.07 1.33 0.00 -0.30 0.00 0.00 42.92 42.02 3kbz s ASP 99 CO 0.72 -0.18 1.60 0.50 -0.17 0.00 0.00 175.17 177.65 3kbz h LYS 100 N 8.40 0.07 -6.28 4.34 1.63 -1.85 -3.40 116.57 119.48 3kbz h LYS 100 Ca -0.33 -0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 58.87 3kbz h LYS 100 Cb 1.16 -0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 32.68 3kbz h LYS 100 CO 0.61 0.05 -0.62 -1.01 -3.45 0.00 0.00 179.45 175.02 3kbz s HIS 101 N -5.49 2.99 0.30 1.91 3.76 -1.26 -4.95 115.29 112.56 3kbz s HIS 101 Ca -0.09 -0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 3kbz s HIS 101 Cb 0.32 -1.46 -0.10 0.00 1.11 0.00 0.00 32.58 32.46 3kbz s HIS 101 CO 0.79 0.51 1.33 0.00 -0.85 0.00 0.00 174.74 176.53 3kbz s ALA 102 N -1.68 3.53 0.06 -1.40 0.00 -1.26 -4.86 121.76 116.15 3kbz s ALA 102 Ca 0.29 1.26 -0.23 0.00 0.00 0.00 0.00 51.96 53.28 3kbz s ALA 102 Cb -0.10 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 3kbz s ALA 102 CO 0.21 -0.65 0.69 0.42 0.00 0.00 0.00 175.76 176.42 3kbz s ILE 103 N -0.79 4.72 -0.24 0.00 1.09 0.21 -4.86 121.20 121.33 3kbz s ILE 103 Ca 0.52 1.47 -0.06 0.00 -1.10 0.00 0.00 60.65 61.48 3kbz s ILE 103 Cb -0.40 -4.04 -0.02 0.00 -1.06 0.00 0.00 42.46 36.94 3kbz s ILE 103 CO 0.50 0.43 0.03 -0.63 -0.10 0.00 0.00 174.94 175.17 3kbz s ILE 104 N -0.44 3.99 0.28 2.92 -1.09 -1.26 -0.90 121.20 124.71 3kbz s ILE 104 Ca 0.34 -0.28 -0.29 0.00 -2.23 0.00 0.00 60.65 58.19 3kbz s ILE 104 Cb -0.20 -2.85 -0.10 0.00 -1.58 0.00 0.00 42.46 37.73 3kbz s ILE 104 CO 0.21 0.37 1.32 -0.69 -1.23 0.00 0.00 174.94 174.92 3kbz s VAL 105 N 1.57 2.86 0.47 2.92 1.01 -0.37 -4.95 120.40 123.90 3kbz s VAL 105 Ca 0.06 0.80 -0.24 0.00 0.00 0.00 0.00 61.98 62.60 3kbz s VAL 105 Cb -0.15 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3kbz s VAL 105 CO 0.01 0.16 1.30 -1.84 0.00 0.00 0.00 175.10 174.74 3kbz n GLU 106 N 1.49 1.88 -0.31 2.72 0.28 -1.26 -4.76 120.64 120.67 3kbz n GLU 106 Ca 0.02 0.67 0.17 0.00 -0.16 0.00 0.00 57.16 57.87 3kbz n GLU 106 Cb 0.42 -2.46 0.35 0.00 1.43 0.00 0.00 31.44 31.18 3kbz n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3kbz h PRO 107 N 1.87 0.17 0.00 3.44 0.13 -1.99 -1.18 132.00 134.45 3kbz h PRO 107 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kbz h PRO 107 Cb 1.30 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3kbz h PRO 107 CO 0.59 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.86 3kbz n GLU 108 N -5.24 0.35 0.00 0.86 1.02 -1.26 -2.58 120.64 113.78 3kbz n GLU 108 Ca 0.25 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3kbz n GLU 108 Cb 0.81 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 3kbz n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kbz n LYS 109 N -1.16 1.87 -2.27 3.49 5.02 -0.46 -5.06 118.16 119.59 3kbz n LYS 109 Ca 0.09 -1.12 -0.41 0.00 -2.02 0.00 0.00 58.31 54.85 3kbz n LYS 109 Cb 0.09 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 3kbz n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kbz s ARG 110 N -0.63 4.41 0.37 1.97 0.52 -1.06 -3.97 118.95 120.56 3kbz s ARG 110 Ca 0.00 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 3kbz s ARG 110 Cb 0.00 -3.22 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 3kbz s ARG 110 CO 0.00 -0.22 0.01 0.41 0.02 0.00 0.00 175.30 175.52 3kbz n GLY 111 N 2.44 3.70 0.69 -3.53 0.00 0.48 -4.75 105.19 104.23 3kbz n GLY 111 Ca 0.06 -2.30 0.11 0.00 0.00 0.00 0.00 46.02 43.89 3kbz n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kbz n LYS 112 N -0.91 1.90 -4.01 1.61 2.85 -1.09 -3.69 118.16 114.82 3kbz n LYS 112 Ca -0.14 -1.36 -0.29 0.00 -1.05 0.00 0.00 58.31 55.47 3kbz n LYS 112 Cb 0.47 -1.42 -0.05 0.00 -0.65 0.00 0.00 35.03 33.38 3kbz n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3kbz s TYR 113 N -1.74 3.31 -0.11 5.58 2.02 0.33 -0.41 117.35 126.34 3kbz s TYR 113 Ca 0.33 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 3kbz s TYR 113 Cb 0.18 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3kbz s TYR 113 CO 0.27 0.54 -0.17 0.08 -1.57 0.00 0.00 175.55 174.70 3kbz s VAL 114 N -1.57 2.70 -0.10 0.71 1.01 0.25 -0.98 120.40 122.42 3kbz s VAL 114 Ca 0.32 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3kbz s VAL 114 Cb -0.12 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3kbz s VAL 114 CO 0.25 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 175.05 3kbz s VAL 115 N 0.17 1.48 -0.14 2.92 1.01 -0.64 -0.02 120.40 125.19 3kbz s VAL 115 Ca -0.10 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3kbz s VAL 115 Cb -0.16 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3kbz s VAL 115 CO 0.06 0.43 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 3kbz s PHE 117 N 0.26 -0.08 -0.34 0.00 -0.71 0.17 -0.46 117.98 116.83 3kbz s PHE 117 Ca -0.06 -0.26 0.04 0.00 -1.04 0.00 0.00 56.93 55.60 3kbz s PHE 117 Cb -0.15 0.26 0.10 0.00 -1.21 0.00 0.00 43.02 42.02 3kbz s PHE 117 CO 0.04 -0.78 0.05 0.34 -1.34 0.00 0.00 175.22 173.53 3kbz s ASP 118 N -2.86 4.71 0.24 1.98 2.15 -0.07 -3.14 116.67 119.68 3kbz s ASP 118 Ca 0.07 -2.10 -0.07 0.00 0.43 0.00 0.00 52.55 50.88 3kbz s ASP 118 Cb 0.01 -1.58 0.41 0.00 -0.30 0.00 0.00 42.92 41.47 3kbz s ASP 118 CO -0.07 -0.38 1.67 1.55 -0.17 0.00 0.00 175.17 177.78 3kbz h PRO 119 N 7.65 0.20 -2.00 4.34 0.13 -1.88 -2.43 132.00 138.02 3kbz h PRO 119 Ca -0.05 -0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.62 3kbz h PRO 119 Cb 1.02 -0.05 -0.32 0.00 0.13 0.00 0.00 31.00 31.79 3kbz h PRO 119 CO 0.51 0.13 -0.80 -1.17 -0.23 0.00 0.00 178.00 176.45 3kbz s LEU 120 N -10.63 0.44 0.15 1.56 2.96 -1.25 -4.38 118.68 107.53 3kbz s LEU 120 Ca -0.13 -2.40 -0.31 0.00 -0.22 0.00 0.00 54.13 51.06 3kbz s LEU 120 Cb 0.21 0.28 -0.10 0.00 0.50 0.00 0.00 46.19 47.08 3kbz s LEU 120 CO 0.75 -0.17 1.64 -0.62 -1.32 0.00 0.00 176.35 176.62 3kbz s ASP 121 N 0.60 6.53 0.00 3.68 2.15 0.12 -2.38 116.67 127.38 3kbz s ASP 121 Ca 0.28 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.92 3kbz s ASP 121 Cb -0.03 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3kbz s ASP 121 CO -0.11 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 3kbz n GLY 122 N 3.88 0.63 0.00 2.66 0.00 -1.26 -2.62 105.19 108.48 3kbz n GLY 122 Ca 0.15 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3kbz n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kbz n SER 123 N 0.19 0.00 0.13 1.61 3.41 -1.00 -2.52 113.62 115.44 3kbz n SER 123 Ca 0.00 -0.97 0.02 0.00 -0.26 0.00 0.00 58.87 57.66 3kbz n SER 123 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3kbz n SER 123 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3kbz h SER 124 N 0.00 0.00 -0.06 4.04 0.87 -1.92 -3.29 113.55 113.19 3kbz h SER 124 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3kbz h SER 124 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3kbz h SER 124 CO 0.00 0.53 -0.55 -3.20 -0.53 0.00 0.00 176.83 173.08 3kbz n ASN 125 N -3.21 1.95 0.00 6.23 2.85 -1.05 -4.77 115.26 117.26 3kbz n ASN 125 Ca 0.01 -3.81 0.10 0.00 -0.11 0.00 0.00 54.58 50.77 3kbz n ASN 125 Cb 0.75 -0.50 0.47 0.00 1.24 0.00 0.00 39.78 41.74 3kbz n ASN 125 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kbz n ILE 126 N -1.02 0.47 0.09 -1.44 0.13 -1.24 -3.31 119.36 113.04 3kbz n ILE 126 Ca 0.20 0.12 -0.04 0.00 -1.10 0.00 0.00 62.75 61.93 3kbz n ILE 126 Cb 0.73 -0.79 0.16 0.00 -0.84 0.00 0.00 39.64 38.90 3kbz n ILE 126 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 3kbz h ASP 127 N 0.00 0.27 -0.24 9.51 3.32 -1.88 -2.83 116.42 124.56 3kbz h ASP 127 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3kbz h ASP 127 Cb 0.23 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3kbz h ASP 127 CO 0.00 0.75 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 3kbz n LEU 129 N 0.25 -1.55 -4.76 0.00 4.77 -1.07 -4.97 117.00 109.68 3kbz n LEU 129 Ca 0.11 0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 55.92 3kbz n LEU 129 Cb 0.24 -2.47 0.03 0.00 -2.33 0.00 0.00 43.42 38.90 3kbz n LEU 129 CO 0.08 -0.49 0.79 0.54 -1.33 0.00 0.00 177.39 176.98 3kbz s VAL 130 N -2.76 2.90 0.45 4.08 0.11 -1.26 -4.93 120.40 118.99 3kbz s VAL 130 Ca 0.00 0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 59.32 3kbz s VAL 130 Cb 0.00 -3.14 -0.09 0.00 -1.53 0.00 0.00 36.38 31.63 3kbz s VAL 130 CO 0.00 -0.17 1.24 -1.20 -3.33 0.00 0.00 175.10 171.65 3kbz n SER 131 N -1.81 2.35 -4.33 3.54 7.64 -1.26 -4.85 113.62 114.90 3kbz n SER 131 Ca 0.12 1.06 -0.17 0.00 1.01 0.00 0.00 58.87 60.90 3kbz n SER 131 Cb 0.51 -1.49 -0.10 0.00 -1.01 0.00 0.00 64.21 62.11 3kbz n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kbz s VAL 132 N -1.24 0.64 0.34 0.44 -7.23 -1.20 -4.78 120.40 107.36 3kbz s VAL 132 Ca 0.64 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.63 3kbz s VAL 132 Cb -0.49 -2.62 0.06 0.00 0.56 0.00 0.00 36.38 33.89 3kbz s VAL 132 CO 0.56 -0.04 0.85 -0.83 -0.31 0.00 0.00 175.10 175.33 3kbz s GLY 133 N -3.32 0.31 -0.10 2.32 0.00 -1.08 0.09 107.32 105.54 3kbz s GLY 133 Ca 0.37 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3kbz s GLY 133 CO 0.13 0.32 -0.17 -1.59 0.00 0.00 0.00 173.10 171.79 3kbz s THR 134 N -2.27 1.61 -0.04 0.90 2.01 -0.07 0.14 115.64 117.92 3kbz s THR 134 Ca 0.17 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.47 3kbz s THR 134 Cb -0.05 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 3kbz s THR 134 CO 0.10 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.73 3kbz s ILE 135 N 0.76 3.19 0.01 1.82 1.01 -0.91 -0.17 121.20 126.91 3kbz s ILE 135 Ca -0.11 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 3kbz s ILE 135 Cb -0.16 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.05 3kbz s ILE 135 CO 0.02 0.56 0.25 0.72 0.00 0.00 0.00 174.94 176.49 3kbz s PHE 136 N -0.77 -0.07 -0.02 3.97 -0.12 -0.68 -0.89 117.98 119.40 3kbz s PHE 136 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 57.01 3kbz s PHE 136 Cb -0.11 0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 3kbz s PHE 136 CO 0.01 -0.40 0.01 0.20 -0.05 0.00 0.00 175.22 174.99 3kbz s GLY 137 N -1.65 0.14 -0.14 1.99 0.00 0.39 -2.07 107.32 105.97 3kbz s GLY 137 Ca -0.10 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.80 3kbz s GLY 137 CO 0.00 0.48 -0.17 -0.42 0.00 0.00 0.00 173.10 173.00 3kbz s ILE 138 N 0.78 2.64 0.20 0.90 1.01 0.34 -1.17 121.20 125.90 3kbz s ILE 138 Ca -0.07 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3kbz s ILE 138 Cb -0.10 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3kbz s ILE 138 CO -0.02 0.53 -0.19 -0.31 0.00 0.00 0.00 174.94 174.95 3kbz s TYR 139 N 0.59 2.01 -0.16 3.97 2.02 0.98 -1.18 117.35 125.59 3kbz s TYR 139 Ca -0.10 -0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 56.05 3kbz s TYR 139 Cb -0.16 -0.96 -0.05 0.00 -0.40 0.00 0.00 41.96 40.39 3kbz s TYR 139 CO 0.03 0.46 0.23 0.50 -1.57 0.00 0.00 175.55 175.20 3kbz s ARG 140 N -3.06 4.14 0.03 -0.62 3.52 -1.26 0.84 118.95 122.54 3kbz s ARG 140 Ca 0.21 -0.01 -0.31 0.00 -0.13 0.00 0.00 55.73 55.49 3kbz s ARG 140 Cb -0.05 -3.39 -0.10 0.00 -1.56 0.00 0.00 34.95 29.85 3kbz s ARG 140 CO 0.09 0.34 1.93 1.17 -0.81 0.00 0.00 175.30 178.02 3kbz n LYS 141 N 3.31 2.74 -0.62 5.12 4.81 0.46 -4.84 118.16 129.12 3kbz n LYS 141 Ca -0.14 1.00 0.09 0.00 -0.87 0.00 0.00 58.31 58.39 3kbz n LYS 141 Cb 0.52 -2.93 0.34 0.00 0.02 0.00 0.00 35.03 32.99 3kbz n LYS 141 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3kbz n LYS 142 N 7.02 3.82 -4.43 1.64 4.01 -1.26 -4.95 118.16 124.01 3kbz n LYS 142 Ca 0.20 -2.89 -0.25 0.00 -0.51 0.00 0.00 58.31 54.87 3kbz n LYS 142 Cb 0.38 -1.92 -0.10 0.00 -0.51 0.00 0.00 35.03 32.88 3kbz n LYS 142 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3kbz s SER 143 N -1.02 3.70 -0.09 4.39 0.01 -1.26 -5.05 113.70 114.39 3kbz s SER 143 Ca 0.49 -0.92 0.19 0.00 1.31 0.00 0.00 55.95 57.02 3kbz s SER 143 Cb 0.33 -0.38 -0.25 0.00 0.21 0.00 0.00 66.02 65.94 3kbz s SER 143 CO 0.21 0.06 0.38 0.35 0.41 0.00 0.00 173.24 174.64 3kbz n THR 144 N -0.39 0.99 -0.35 1.44 -2.24 -1.26 -4.99 114.28 107.48 3kbz n THR 144 Ca -0.07 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3kbz n THR 144 Cb 0.59 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3kbz n THR 144 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kbz n ASP 145 N -2.67 -1.08 -4.72 3.42 3.85 -1.26 -4.95 116.55 109.15 3kbz n ASP 145 Ca -0.19 -0.35 -0.42 0.00 -0.71 0.00 0.00 54.79 53.11 3kbz n ASP 145 Cb 0.93 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.67 3kbz n ASP 145 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3kbz s GLU 146 N -2.68 4.38 0.21 0.11 2.02 -1.26 -4.95 118.70 116.54 3kbz s GLU 146 Ca 0.00 1.93 -0.32 0.00 0.02 0.00 0.00 54.97 56.60 3kbz s GLU 146 Cb 0.00 -3.29 -0.14 0.00 0.10 0.00 0.00 34.13 30.80 3kbz s GLU 146 CO 0.00 -0.32 1.36 -0.35 0.02 0.00 0.00 175.26 175.97 3kbz n PRO 147 N 3.77 1.79 -4.01 0.39 -0.04 -1.26 -4.97 135.00 130.66 3kbz n PRO 147 Ca 0.10 0.64 -0.12 0.00 -0.04 0.00 0.00 63.50 64.07 3kbz n PRO 147 Cb 0.44 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 3kbz n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kbz s SER 148 N 0.30 0.55 0.54 3.54 1.04 -1.26 -5.00 113.70 113.41 3kbz s SER 148 Ca 0.71 -1.32 0.24 0.00 0.48 0.00 0.00 55.95 56.06 3kbz s SER 148 Cb -0.72 0.70 1.41 0.00 0.10 0.00 0.00 66.02 67.51 3kbz s SER 148 CO 0.49 -1.37 2.04 -0.08 0.98 0.00 0.00 173.24 175.29 3kbz h GLU 149 N 2.10 0.00 -0.41 4.02 4.81 -1.93 -1.67 114.58 121.50 3kbz h GLU 149 Ca -0.29 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3kbz h GLU 149 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 3kbz h GLU 149 CO 0.39 0.00 0.29 -0.22 -0.73 0.00 0.00 179.01 178.73 3kbz h LYS 150 N 0.00 0.13 0.00 1.92 3.64 -1.96 -1.53 116.57 118.76 3kbz h LYS 150 Ca 0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3kbz h LYS 150 Cb 0.76 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3kbz h LYS 150 CO -0.00 0.09 0.00 -0.25 -2.27 0.00 0.00 179.45 177.01 3kbz n ASP 151 N -4.45 0.14 -0.88 4.20 8.00 -0.63 -1.95 116.55 120.99 3kbz n ASP 151 Ca 0.06 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.22 3kbz n ASP 151 Cb 0.39 -0.56 0.21 0.00 -0.02 0.00 0.00 41.12 41.13 3kbz n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kbz n ALA 152 N -1.56 2.48 -2.00 2.24 0.00 -0.58 -4.51 120.51 116.58 3kbz n ALA 152 Ca 0.04 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 3kbz n ALA 152 Cb 0.21 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 3kbz n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kbz n LEU 153 N 1.11 7.37 -4.56 0.00 4.77 -0.82 -4.95 117.00 119.93 3kbz n LEU 153 Ca 0.16 -4.78 -0.30 0.00 -0.03 0.00 0.00 56.01 51.05 3kbz n LEU 153 Cb 0.55 -1.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 3kbz n LEU 153 CO 0.15 1.91 -0.43 -1.10 -1.33 0.00 0.00 177.39 176.60 3kbz s GLN 154 N -2.62 2.17 0.43 3.23 -0.21 -1.26 -4.63 119.66 116.78 3kbz s GLN 154 Ca 0.51 -0.97 -0.24 0.00 0.02 0.00 0.00 55.36 54.68 3kbz s GLN 154 Cb 0.29 -2.31 -0.08 0.00 1.00 0.00 0.00 33.01 31.91 3kbz s GLN 154 CO -0.20 0.53 1.21 -1.25 -2.12 0.00 0.00 175.29 173.46 3kbz s PRO 155 N -1.94 3.89 0.61 2.91 0.04 -1.26 -4.72 135.00 134.54 3kbz s PRO 155 Ca 0.19 1.91 0.23 0.00 0.04 0.00 0.00 61.00 63.38 3kbz s PRO 155 Cb -0.11 -2.59 1.26 0.00 0.04 0.00 0.00 34.50 33.11 3kbz s PRO 155 CO 0.11 -0.48 1.69 0.78 0.04 0.00 0.00 177.00 179.14 3kbz h GLY 156 N 2.40 0.00 1.99 0.56 0.00 -1.55 0.76 103.07 107.23 3kbz h GLY 156 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3kbz h GLY 156 CO 0.61 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 177.07 3kbz h ARG 157 N 0.00 0.00 -0.00 4.80 9.65 -1.36 -1.50 114.38 125.97 3kbz h ARG 157 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kbz h ARG 157 Cb 0.85 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 3kbz h ARG 157 CO 0.00 0.00 -0.09 0.09 2.80 0.00 0.00 179.97 182.77 3kbz n ASN 158 N -4.11 0.39 -4.63 -3.80 4.13 0.26 -4.94 115.26 102.56 3kbz n ASN 158 Ca -0.03 -0.54 -0.45 0.00 1.68 0.00 0.00 54.58 55.24 3kbz n ASN 158 Cb 0.09 -0.10 -0.02 0.00 -1.54 0.00 0.00 39.78 38.20 3kbz n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kbz n LEU 159 N -0.99 2.50 -0.05 3.41 4.77 -0.57 -4.70 117.00 121.37 3kbz n LEU 159 Ca 0.15 1.16 -0.06 0.00 -0.03 0.00 0.00 56.01 57.23 3kbz n LEU 159 Cb 0.27 -1.36 -0.15 0.00 -2.33 0.00 0.00 43.42 39.85 3kbz n LEU 159 CO 0.23 -0.90 -0.86 0.52 -1.33 0.00 0.00 177.39 175.06 3kbz n VAL 160 N 1.12 1.24 -3.57 4.08 0.31 -0.32 -4.99 118.33 116.21 3kbz n VAL 160 Ca 0.11 -0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 63.55 3kbz n VAL 160 Cb 0.31 -0.56 -0.05 0.00 -0.91 0.00 0.00 33.84 32.63 3kbz n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kbz s ALA 161 N -2.70 -1.92 0.19 3.52 0.00 -1.21 -4.48 121.76 115.17 3kbz s ALA 161 Ca -0.08 1.51 -0.23 0.00 0.00 0.00 0.00 51.96 53.16 3kbz s ALA 161 Cb 0.08 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.72 3kbz s ALA 161 CO 0.84 -0.36 0.75 0.00 0.00 0.00 0.00 175.76 176.99 3kbz s ALA 162 N -1.38 -1.47 0.00 0.00 0.00 -0.53 -0.51 121.76 117.87 3kbz s ALA 162 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3kbz s ALA 162 Cb -0.00 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3kbz s ALA 162 CO 0.01 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.24 3kbz n GLY 163 N -0.42 -0.80 3.69 0.00 0.00 -0.88 0.40 105.19 107.19 3kbz n GLY 163 Ca -0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3kbz n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kbz s TYR 164 N -3.00 -0.31 -0.10 1.61 -0.85 -0.42 -1.69 117.35 112.59 3kbz s TYR 164 Ca 0.00 -0.04 0.04 0.00 -0.52 0.00 0.00 57.07 56.55 3kbz s TYR 164 Cb 0.00 0.65 0.00 0.00 0.38 0.00 0.00 41.96 42.99 3kbz s TYR 164 CO 0.00 -1.06 -0.22 0.00 -1.52 0.00 0.00 175.55 172.75 3kbz s ALA 165 N -3.80 2.09 -0.20 9.51 0.00 0.76 -0.31 121.76 129.82 3kbz s ALA 165 Ca 0.07 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 3kbz s ALA 165 Cb -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3kbz s ALA 165 CO -0.01 0.22 0.02 -1.17 0.00 0.00 0.00 175.76 174.82 3kbz s LEU 166 N 0.46 3.36 -1.03 0.00 2.96 0.11 -0.89 118.68 123.65 3kbz s LEU 166 Ca -0.17 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3kbz s LEU 166 Cb -0.17 -1.86 0.29 0.00 0.50 0.00 0.00 46.19 44.95 3kbz s LEU 166 CO 0.07 0.07 1.23 -1.22 -1.32 0.00 0.00 176.35 175.18 3kbz n TYR 167 N 4.19 3.50 0.00 5.38 4.01 0.11 -1.62 117.16 132.73 3kbz n TYR 167 Ca -0.17 -3.29 0.00 0.00 -0.16 0.00 0.00 57.90 54.28 3kbz n TYR 167 Cb 0.52 -1.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 3kbz n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbz n GLY 168 N 1.78 2.24 0.38 2.72 0.00 -1.26 -3.27 105.19 107.79 3kbz n GLY 168 Ca 0.25 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.60 3kbz n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kbz h SER 169 N 0.00 0.55 -5.46 1.61 4.64 -1.99 -3.41 113.55 109.49 3kbz h SER 169 Ca 0.00 0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 3kbz h SER 169 Cb 0.00 -0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 61.88 3kbz h SER 169 CO 0.00 0.25 -0.58 0.00 -0.87 0.00 0.00 176.83 175.63 3kbz s ALA 170 N -5.58 0.83 -0.21 5.18 0.00 -1.26 -5.14 121.76 115.58 3kbz s ALA 170 Ca -0.09 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.31 3kbz s ALA 170 Cb 0.22 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 24.35 3kbz s ALA 170 CO 0.79 -0.56 0.13 0.99 0.00 0.00 0.00 175.76 177.11 3kbz s THR 171 N -4.08 5.33 0.02 0.00 2.01 -1.26 -4.51 115.64 113.15 3kbz s THR 171 Ca 0.29 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.49 3kbz s THR 171 Cb 0.06 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 3kbz s THR 171 CO 0.05 0.41 -0.11 -0.32 -0.69 0.00 0.00 174.62 173.97 3kbz s MET 172 N 0.57 0.80 -0.20 4.92 -2.45 -0.64 -0.65 119.30 121.65 3kbz s MET 172 Ca 0.07 -0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 53.93 3kbz s MET 172 Cb -0.12 -0.76 0.00 0.00 1.25 0.00 0.00 34.83 35.21 3kbz s MET 172 CO 0.00 0.19 -0.10 -1.17 1.05 0.00 0.00 175.02 174.99 3kbz s LEU 173 N -0.77 2.62 -0.28 4.11 0.20 0.49 0.07 118.68 125.13 3kbz s LEU 173 Ca 0.01 -0.48 -0.09 0.00 0.69 0.00 0.00 54.13 54.26 3kbz s LEU 173 Cb -0.06 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.02 3kbz s LEU 173 CO 0.00 -0.01 0.14 -0.69 -0.29 0.00 0.00 176.35 175.50 3kbz s VAL 174 N 1.39 4.78 -0.17 1.68 1.01 0.58 -0.86 120.40 128.81 3kbz s VAL 174 Ca 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3kbz s VAL 174 Cb -0.14 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3kbz s VAL 174 CO -0.06 0.24 -0.18 -0.22 0.00 0.00 0.00 175.10 174.88 3kbz s LEU 175 N 1.67 2.26 -0.09 3.92 2.96 -0.49 -1.29 118.68 127.62 3kbz s LEU 175 Ca 0.06 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3kbz s LEU 175 Cb -0.16 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3kbz s LEU 175 CO 0.07 0.03 -0.11 0.00 -1.32 0.00 0.00 176.35 175.02 3kbz s ALA 176 N 1.12 2.74 0.27 5.97 0.00 0.16 -1.43 121.76 130.59 3kbz s ALA 176 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 3kbz s ALA 176 Cb -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.83 3kbz s ALA 176 CO -0.07 0.42 0.36 -1.33 0.00 0.00 0.00 175.76 175.14 3kbz n MET 177 N 2.82 0.52 -0.30 0.00 2.81 -0.53 -1.45 117.12 120.99 3kbz n MET 177 Ca -0.18 -2.25 0.12 0.00 -1.81 0.00 0.00 57.70 53.59 3kbz n MET 177 Cb 0.53 2.12 0.35 0.00 -0.71 0.00 0.00 33.22 35.50 3kbz n MET 177 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kbz h ASP 178 N 1.55 0.71 0.34 7.83 3.32 -1.94 -0.21 116.42 128.03 3kbz h ASP 178 Ca -0.21 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3kbz h ASP 178 Cb 0.93 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3kbz h ASP 178 CO 0.29 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 3kbz n GLY 180 N -0.15 0.40 3.43 0.00 0.00 -0.09 -4.92 105.19 103.86 3kbz n GLY 180 Ca 0.05 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 3kbz n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbz s VAL 181 N -0.11 3.63 -0.03 1.61 1.01 -1.26 -1.45 120.40 123.80 3kbz s VAL 181 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3kbz s VAL 181 Cb 0.00 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3kbz s VAL 181 CO 0.00 0.48 -0.17 0.20 0.00 0.00 0.00 175.10 175.61 3kbz s ASN 182 N 0.64 2.05 -0.19 3.32 -0.87 -0.51 -0.53 114.94 118.85 3kbz s ASN 182 Ca -0.03 -0.33 -0.05 0.00 -1.57 0.00 0.00 52.86 50.88 3kbz s ASN 182 Cb -0.15 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.25 40.60 3kbz s ASN 182 CO 0.02 0.17 0.00 0.00 -2.57 0.00 0.00 177.10 174.72 3kbz s PHE 184 N 0.79 2.64 -0.19 0.00 0.08 -0.04 -1.36 117.98 119.91 3kbz s PHE 184 Ca 0.00 -0.63 -0.09 0.00 0.12 0.00 0.00 56.93 56.33 3kbz s PHE 184 Cb -0.14 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 3kbz s PHE 184 CO 0.02 -0.16 0.13 1.41 -0.10 0.00 0.00 175.22 176.52 3kbz s MET 185 N -0.03 4.06 -0.25 0.44 -2.45 0.19 -0.38 119.30 120.88 3kbz s MET 185 Ca -0.05 -0.21 -0.27 0.00 -1.25 0.00 0.00 55.69 53.91 3kbz s MET 185 Cb -0.14 -3.38 0.01 0.00 1.25 0.00 0.00 34.83 32.56 3kbz s MET 185 CO 0.05 0.38 0.95 -1.17 1.05 0.00 0.00 175.02 176.28 3kbz s LEU 186 N 0.12 4.07 -0.53 4.11 2.96 0.18 0.68 118.68 130.27 3kbz s LEU 186 Ca 0.09 1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 54.95 3kbz s LEU 186 Cb -0.11 -3.38 0.06 0.00 0.50 0.00 0.00 46.19 43.26 3kbz s LEU 186 CO -0.01 -0.64 0.70 -0.62 -1.32 0.00 0.00 176.35 174.46 3kbz s ASP 187 N 1.35 6.24 0.59 3.68 -1.08 0.41 -4.65 116.67 123.20 3kbz s ASP 187 Ca 0.40 -0.88 0.30 0.00 -0.52 0.00 0.00 52.55 51.85 3kbz s ASP 187 Cb -0.15 -2.32 1.77 0.00 -1.46 0.00 0.00 42.92 40.76 3kbz s ASP 187 CO 0.08 -1.00 2.19 1.55 0.52 0.00 0.00 175.17 178.52 3kbz h PRO 188 N 9.10 0.00 -0.04 4.34 0.13 -1.94 0.21 132.00 143.79 3kbz h PRO 188 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 3kbz h PRO 188 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3kbz h PRO 188 CO 1.01 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.48 3kbz h ALA 189 N 1.90 1.42 0.00 -0.56 0.00 -1.97 -3.28 119.26 116.78 3kbz h ALA 189 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kbz h ALA 189 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kbz h ALA 189 CO -0.00 0.42 0.00 0.44 0.00 0.00 0.00 179.25 180.11 3kbz n ILE 190 N -4.16 0.39 -3.66 0.00 -5.35 -1.00 -5.03 119.36 100.56 3kbz n ILE 190 Ca -0.02 -0.52 -0.22 0.00 -0.27 0.00 0.00 62.75 61.72 3kbz n ILE 190 Cb 0.36 0.95 0.04 0.00 -1.74 0.00 0.00 39.64 39.25 3kbz n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kbz n GLY 191 N -0.19 -0.46 2.99 3.28 0.00 0.03 -5.00 105.19 105.83 3kbz n GLY 191 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 3kbz n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kbz s GLU 192 N -5.83 0.72 -0.40 1.61 0.41 -1.16 -4.97 118.70 109.08 3kbz s GLU 192 Ca 0.10 -0.26 -0.22 0.00 -0.41 0.00 0.00 54.97 54.18 3kbz s GLU 192 Cb -0.03 -0.70 0.01 0.00 -1.78 0.00 0.00 34.13 31.64 3kbz s GLU 192 CO 0.81 0.12 0.70 -0.06 -0.49 0.00 0.00 175.26 176.35 3kbz s PHE 193 N 0.04 3.08 -0.16 1.61 0.08 -1.26 -0.45 117.98 120.92 3kbz s PHE 193 Ca -0.00 0.25 -0.14 0.00 0.12 0.00 0.00 56.93 57.15 3kbz s PHE 193 Cb -0.06 -3.37 -0.05 0.00 -0.57 0.00 0.00 43.02 38.98 3kbz s PHE 193 CO -0.00 -0.79 0.32 0.42 -0.10 0.00 0.00 175.22 175.07 3kbz s ILE 194 N 2.95 5.28 -0.18 0.64 -1.09 0.21 -0.92 121.20 128.10 3kbz s ILE 194 Ca 0.27 0.60 -0.29 0.00 -2.23 0.00 0.00 60.65 59.00 3kbz s ILE 194 Cb -0.14 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 3kbz s ILE 194 CO 0.18 0.36 1.56 -0.22 -1.23 0.00 0.00 174.94 175.59 3kbz s LEU 195 N 0.60 4.03 -0.00 2.97 2.96 -0.81 0.52 118.68 128.96 3kbz s LEU 195 Ca 0.18 1.75 0.02 0.00 -0.22 0.00 0.00 54.13 55.86 3kbz s LEU 195 Cb -0.13 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3kbz s LEU 195 CO 0.05 -1.10 0.09 1.33 -1.32 0.00 0.00 176.35 175.40 3kbz n VAL 196 N 6.04 0.00 -3.49 1.68 0.24 -0.46 -4.79 118.33 117.55 3kbz n VAL 196 Ca 0.18 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.34 61.89 3kbz n VAL 196 Cb 0.45 0.93 -0.13 0.00 -1.47 0.00 0.00 33.84 33.62 3kbz n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kbz s ASP 197 N -1.36 1.51 0.04 -1.34 1.11 -1.12 -5.02 116.67 110.50 3kbz s ASP 197 Ca 0.01 -0.33 -0.12 0.00 0.18 0.00 0.00 52.55 52.28 3kbz s ASP 197 Cb 0.02 0.35 -0.06 0.00 1.07 0.00 0.00 42.92 44.30 3kbz s ASP 197 CO 0.10 -0.34 0.41 -0.54 1.18 0.00 0.00 175.17 175.97 3kbz s LYS 198 N 2.32 3.84 -1.05 8.23 1.02 -1.26 -1.18 119.74 131.66 3kbz s LYS 198 Ca 0.07 0.30 -0.26 0.00 0.02 0.00 0.00 55.97 56.10 3kbz s LYS 198 Cb -0.16 -3.10 0.04 0.00 -0.52 0.00 0.00 37.83 34.09 3kbz s LYS 198 CO -0.15 0.62 0.61 -3.47 -0.92 0.00 0.00 175.35 172.04 3kbz n ASP 199 N 1.36 -3.91 -4.77 2.83 2.03 -1.00 -4.85 116.55 108.24 3kbz n ASP 199 Ca -0.11 -1.15 -0.40 0.00 0.52 0.00 0.00 54.79 53.65 3kbz n ASP 199 Cb 0.52 -1.46 -0.03 0.00 -0.72 0.00 0.00 41.12 39.44 3kbz n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kbz s VAL 200 N -3.49 3.12 -0.04 5.18 1.01 0.31 -4.87 120.40 121.63 3kbz s VAL 200 Ca 0.37 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.44 3kbz s VAL 200 Cb -0.20 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3kbz s VAL 200 CO 0.89 0.21 -0.10 -0.54 0.00 0.00 0.00 175.10 175.56 3kbz s LYS 201 N -1.84 1.14 0.47 2.72 -0.14 -1.26 -4.45 119.74 116.38 3kbz s LYS 201 Ca 0.50 -0.33 -0.21 0.00 -1.36 0.00 0.00 55.97 54.58 3kbz s LYS 201 Cb -0.34 -1.04 -0.09 0.00 -1.68 0.00 0.00 37.83 34.68 3kbz s LYS 201 CO 0.44 0.09 1.02 -1.50 -0.76 0.00 0.00 175.35 174.64 3kbz s ILE 202 N 0.34 3.92 0.57 2.17 2.07 0.07 -4.99 121.20 125.33 3kbz s ILE 202 Ca -0.06 1.20 -0.21 0.00 -1.41 0.00 0.00 60.65 60.17 3kbz s ILE 202 Cb -0.11 -3.49 -0.04 0.00 0.13 0.00 0.00 42.46 38.95 3kbz s ILE 202 CO 0.01 -0.25 1.31 0.29 -1.91 0.00 0.00 174.94 174.39 3kbz n LYS 203 N -0.87 1.51 -0.33 3.50 5.02 -1.26 -4.90 118.16 120.83 3kbz n LYS 203 Ca 0.09 0.56 -0.03 0.00 -2.02 0.00 0.00 58.31 56.90 3kbz n LYS 203 Cb 0.53 -2.53 0.09 0.00 -0.02 0.00 0.00 35.03 33.10 3kbz n LYS 203 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3kbz h LYS 204 N 1.18 1.20 -3.26 1.97 3.64 -1.94 -3.40 116.57 115.95 3kbz h LYS 204 Ca -0.51 -0.09 -0.20 0.00 -1.27 0.00 0.00 60.65 58.59 3kbz h LYS 204 Cb 1.32 -0.26 -0.28 0.00 -0.41 0.00 0.00 32.23 32.60 3kbz h LYS 204 CO 0.56 0.82 -0.52 0.21 -2.27 0.00 0.00 179.45 178.24 3kbz s LYS 205 N -6.03 0.19 0.11 1.90 2.20 -1.26 -2.23 119.74 114.61 3kbz s LYS 205 Ca -0.13 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 3kbz s LYS 205 Cb 0.17 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3kbz s LYS 205 CO 0.81 -0.07 0.09 0.41 -0.36 0.00 0.00 175.35 176.23 3kbz n GLY 206 N 3.36 2.88 0.59 5.54 0.00 -1.26 -4.74 105.19 111.56 3kbz n GLY 206 Ca -0.17 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 43.71 3kbz n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kbz n LYS 207 N -0.81 0.53 -4.00 1.61 5.02 -1.26 -4.75 118.16 114.50 3kbz n LYS 207 Ca -0.00 -1.89 -0.16 0.00 -2.02 0.00 0.00 58.31 54.24 3kbz n LYS 207 Cb 0.12 -0.80 -0.15 0.00 -0.02 0.00 0.00 35.03 34.18 3kbz n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kbz s ILE 208 N -1.15 0.24 0.01 -0.18 1.01 -1.26 0.04 121.20 119.90 3kbz s ILE 208 Ca 0.20 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.88 3kbz s ILE 208 Cb 0.19 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.37 3kbz s ILE 208 CO -0.03 0.11 -0.23 -0.72 0.00 0.00 0.00 174.94 174.07 3kbz s TYR 209 N 0.47 2.44 -0.06 3.97 1.13 -0.60 -1.29 117.35 123.39 3kbz s TYR 209 Ca -0.05 -0.35 -0.00 0.00 -1.41 0.00 0.00 57.07 55.27 3kbz s TYR 209 Cb -0.08 -1.48 0.02 0.00 -1.10 0.00 0.00 41.96 39.33 3kbz s TYR 209 CO -0.01 0.11 -0.03 0.45 -2.51 0.00 0.00 175.55 173.56 3kbz s SER 210 N -1.01 1.36 -0.23 -0.18 0.15 -0.01 -2.68 113.70 111.09 3kbz s SER 210 Ca 0.12 -0.14 -0.36 0.00 0.70 0.00 0.00 55.95 56.27 3kbz s SER 210 Cb -0.10 -0.50 0.15 0.00 -1.71 0.00 0.00 66.02 63.86 3kbz s SER 210 CO 0.02 -0.11 1.28 -1.48 1.20 0.00 0.00 173.24 174.15 3kbz s LEU 211 N 1.41 -0.08 -0.66 3.45 2.34 -1.26 0.17 118.68 124.04 3kbz s LEU 211 Ca -0.03 0.01 -0.27 0.00 0.06 0.00 0.00 54.13 53.89 3kbz s LEU 211 Cb -0.13 1.23 0.03 0.00 -0.56 0.00 0.00 46.19 46.76 3kbz s LEU 211 CO -0.03 -0.14 1.23 0.21 -1.06 0.00 0.00 176.35 176.56 3kbz s ASN 212 N -2.06 6.30 0.00 1.48 2.47 -1.26 -4.84 114.94 117.04 3kbz s ASN 212 Ca 0.10 -0.18 0.22 0.00 0.42 0.00 0.00 52.86 53.42 3kbz s ASN 212 Cb -0.01 -2.55 1.10 0.00 -1.45 0.00 0.00 41.25 38.34 3kbz s ASN 212 CO -0.04 -1.65 1.71 -0.62 -3.72 0.00 0.00 177.10 172.78 3kbz n GLU 213 N 8.87 0.30 0.17 0.43 1.02 -1.26 -2.95 120.64 127.23 3kbz n GLU 213 Ca 0.06 0.08 0.13 0.00 -0.02 0.00 0.00 57.16 57.41 3kbz n GLU 213 Cb 0.49 -1.50 0.59 0.00 -0.02 0.00 0.00 31.44 31.00 3kbz n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kbz h GLY 214 N 3.62 0.00 -2.09 0.62 0.00 -2.07 -1.36 103.07 101.79 3kbz h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kbz h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3kbz n TYR 215 N -2.43 0.81 -0.31 5.60 0.53 -1.15 -4.55 117.16 115.66 3kbz n TYR 215 Ca 0.01 -0.38 0.09 0.00 -1.02 0.00 0.00 57.90 56.60 3kbz n TYR 215 Cb 0.19 -0.04 0.21 0.00 -1.03 0.00 0.00 39.34 38.67 3kbz n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kbz h ALA 216 N 3.95 0.93 -0.91 -0.72 0.00 -1.47 0.17 119.26 121.21 3kbz h ALA 216 Ca 0.00 0.30 0.20 0.00 0.00 0.00 0.00 54.91 55.41 3kbz h ALA 216 Cb 0.81 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 3kbz h ALA 216 CO 0.03 -0.48 0.60 -0.22 0.00 0.00 0.00 179.25 179.18 3kbz h LYS 217 N 0.05 0.44 -0.45 0.00 3.64 -1.85 -1.41 116.57 116.99 3kbz h LYS 217 Ca 0.50 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 3kbz h LYS 217 Cb 0.94 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3kbz h LYS 217 CO -0.83 0.29 0.00 -0.25 -2.27 0.00 0.00 179.45 176.39 3kbz n ASP 218 N -4.53 3.45 -4.74 4.20 8.00 0.57 -5.01 116.55 118.49 3kbz n ASP 218 Ca 0.20 -1.96 -0.37 0.00 0.71 0.00 0.00 54.79 53.36 3kbz n ASP 218 Cb 0.68 -0.29 0.06 0.00 -0.02 0.00 0.00 41.12 41.55 3kbz n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kbz s PHE 219 N -1.28 2.16 0.40 1.24 0.08 -0.53 -2.92 117.98 117.12 3kbz s PHE 219 Ca 0.38 1.47 -0.24 0.00 0.12 0.00 0.00 56.93 58.67 3kbz s PHE 219 Cb 0.22 -3.67 -0.09 0.00 -0.57 0.00 0.00 43.02 38.90 3kbz s PHE 219 CO 0.29 -2.81 1.04 0.34 -0.10 0.00 0.00 175.22 173.99 3kbz s ASP 220 N -1.37 6.77 0.31 1.36 2.15 -1.26 -4.84 116.67 119.78 3kbz s ASP 220 Ca 0.80 2.02 0.07 0.00 0.43 0.00 0.00 52.55 55.87 3kbz s ASP 220 Cb -0.37 -2.58 0.82 0.00 -0.30 0.00 0.00 42.92 40.49 3kbz s ASP 220 CO 0.39 -0.48 1.71 -0.65 -0.17 0.00 0.00 175.17 175.97 3kbz h PRO 221 N 2.47 0.45 -0.66 4.34 0.11 -1.98 -0.61 132.00 136.13 3kbz h PRO 221 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3kbz h PRO 221 Cb 1.21 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3kbz h PRO 221 CO 0.62 0.30 0.25 0.00 -0.21 0.00 0.00 178.00 178.96 3kbz h ALA 222 N 1.73 0.86 -0.47 -0.75 0.00 -1.92 -0.17 119.26 118.55 3kbz h ALA 222 Ca 0.61 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 3kbz h ALA 222 Cb 1.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3kbz h ALA 222 CO -0.52 0.50 0.03 0.28 0.00 0.00 0.00 179.25 179.54 3kbz h VAL 223 N 0.94 1.26 -0.65 0.00 2.07 -1.54 -0.11 116.25 118.22 3kbz h VAL 223 Ca 0.22 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3kbz h VAL 223 Cb 0.24 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3kbz h VAL 223 CO -0.01 0.35 0.42 0.74 0.02 0.00 0.00 177.57 179.09 3kbz h THR 224 N 0.66 1.15 -0.27 2.57 2.02 -0.85 -1.43 112.91 116.76 3kbz h THR 224 Ca 0.14 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 3kbz h THR 224 Cb 0.46 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3kbz h THR 224 CO 0.02 0.16 -0.28 -0.08 0.37 0.00 0.00 175.52 175.71 3kbz h GLU 225 N 0.86 0.67 -0.04 6.66 4.81 -0.85 -2.23 114.58 124.46 3kbz h GLU 225 Ca 0.24 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3kbz h GLU 225 Cb -0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kbz h GLU 225 CO -0.06 0.96 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.22 3kbz h TYR 226 N 0.40 -0.10 -0.77 0.92 3.20 -0.78 -0.68 116.97 119.17 3kbz h TYR 226 Ca 0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3kbz h TYR 226 Cb 0.84 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 3kbz h TYR 226 CO 0.07 -0.06 0.44 0.82 -1.64 0.00 0.00 178.16 177.79 3kbz h ILE 227 N -0.05 1.22 -0.82 1.81 1.08 -1.31 -1.02 117.51 118.42 3kbz h ILE 227 Ca 0.03 -0.52 0.04 0.00 -0.39 0.00 0.00 64.86 64.03 3kbz h ILE 227 Cb 0.10 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 33.96 3kbz h ILE 227 CO -0.07 0.24 0.54 -0.61 -0.69 0.00 0.00 178.15 177.56 3kbz h GLN 228 N 1.06 0.96 0.00 2.37 5.75 -0.75 -1.09 115.11 123.41 3kbz h GLN 228 Ca 0.27 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 3kbz h GLN 228 Cb -0.01 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 3kbz h GLN 228 CO -0.05 0.63 -0.42 0.00 -2.65 0.00 0.00 178.83 176.34 3kbz h ARG 229 N 0.98 0.00 0.00 1.69 2.47 0.18 0.87 114.38 120.58 3kbz h ARG 229 Ca 0.33 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.85 3kbz h ARG 229 Cb 0.09 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3kbz h ARG 229 CO -0.10 0.42 -0.89 0.87 0.56 0.00 0.00 179.97 180.82 3kbz h LYS 230 N 0.00 0.28 0.11 0.04 1.79 -0.70 -2.92 116.57 115.16 3kbz h LYS 230 Ca -0.00 -0.30 -0.32 0.00 -2.18 0.00 0.00 60.65 57.84 3kbz h LYS 230 Cb 0.85 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 3kbz h LYS 230 CO 0.05 1.01 -1.71 0.87 -1.08 0.00 0.00 179.45 178.59 3kbz h LYS 231 N 0.16 0.23 -2.54 3.15 1.57 -1.25 -0.59 116.57 117.29 3kbz h LYS 231 Ca -0.06 -0.39 -0.60 0.00 -1.87 0.00 0.00 60.65 57.73 3kbz h LYS 231 Cb 1.52 0.14 -0.41 0.00 0.08 0.00 0.00 32.23 33.57 3kbz h LYS 231 CO 0.14 1.06 -0.69 1.19 -0.57 0.00 0.00 179.45 180.58 3kbz n PHE 232 N -3.41 2.45 -1.67 -1.35 3.72 0.29 -4.73 117.46 112.75 3kbz n PHE 232 Ca -0.21 -4.04 -0.48 0.00 -0.05 0.00 0.00 57.45 52.66 3kbz n PHE 232 Cb 1.05 -0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 39.09 3kbz n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3kbz n PRO 233 N 1.60 1.99 -0.14 -1.08 -0.02 -1.10 -4.55 135.00 131.69 3kbz n PRO 233 Ca 0.25 0.72 -0.03 0.00 -2.02 0.00 0.00 63.50 62.42 3kbz n PRO 233 Cb 0.41 -2.51 0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3kbz n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kbz h PRO 234 N 7.24 0.24 -0.55 0.52 0.11 -1.93 0.59 132.00 138.21 3kbz h PRO 234 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kbz h PRO 234 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kbz h PRO 234 CO 0.91 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.45 3kbz n ASP 235 N -5.09 0.71 -2.07 -2.05 5.68 -1.26 -4.86 116.55 107.62 3kbz n ASP 235 Ca 0.04 -2.02 -0.17 0.00 -0.50 0.00 0.00 54.79 52.14 3kbz n ASP 235 Cb 0.21 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 39.87 3kbz n ASP 235 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3kbz n ASN 236 N -0.18 -4.84 -3.71 -1.12 5.15 0.20 -4.98 115.26 105.78 3kbz n ASN 236 Ca 0.01 0.21 -0.30 0.00 -0.60 0.00 0.00 54.58 53.90 3kbz n ASN 236 Cb 0.17 -4.17 0.24 0.00 -0.53 0.00 0.00 39.78 35.49 3kbz n ASN 236 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kbz s SER 237 N -2.20 1.12 0.09 1.20 1.04 -1.26 -4.94 113.70 108.75 3kbz s SER 237 Ca 0.00 0.44 -0.31 0.00 0.48 0.00 0.00 55.95 56.56 3kbz s SER 237 Cb 0.00 -0.54 -0.07 0.00 0.10 0.00 0.00 66.02 65.50 3kbz s SER 237 CO 0.00 -3.98 1.36 0.00 0.98 0.00 0.00 173.24 171.60 3kbz s ALA 238 N -3.24 3.56 0.55 5.32 0.00 -1.26 -4.60 121.76 122.09 3kbz s ALA 238 Ca 0.73 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 53.54 3kbz s ALA 238 Cb -0.06 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3kbz s ALA 238 CO 0.55 -0.62 1.20 -1.25 0.00 0.00 0.00 175.76 175.64 3kbz s PRO 239 N 1.26 3.24 0.64 0.00 0.04 -1.26 -4.94 135.00 133.98 3kbz s PRO 239 Ca 0.64 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 63.32 3kbz s PRO 239 Cb -0.35 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 3kbz s PRO 239 CO 0.30 -0.98 1.14 0.71 0.04 0.00 0.00 177.00 178.20 3kbz s TYR 240 N -1.59 2.51 0.40 0.56 1.51 -0.23 -5.01 117.35 115.50 3kbz s TYR 240 Ca 0.73 1.55 -0.06 0.00 -1.01 0.00 0.00 57.07 58.28 3kbz s TYR 240 Cb -0.30 -3.28 -0.05 0.00 -0.11 0.00 0.00 41.96 38.23 3kbz s TYR 240 CO 0.33 -1.86 0.71 0.20 -1.11 0.00 0.00 175.55 173.82 3kbz s GLY 241 N -2.22 1.69 -0.06 0.71 0.00 0.11 -4.81 107.32 102.74 3kbz s GLY 241 Ca 0.70 -0.47 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3kbz s GLY 241 CO 0.38 -0.32 -0.14 0.00 0.00 0.00 0.00 173.10 173.02 3kbz s ALA 242 N -2.44 2.68 -0.08 3.20 0.00 -1.26 -1.56 121.76 122.28 3kbz s ALA 242 Ca 0.47 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 3kbz s ALA 242 Cb -0.10 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.04 3kbz s ALA 242 CO 0.37 0.52 0.20 1.03 0.00 0.00 0.00 175.76 177.88 3kbz s ARG 243 N -0.61 0.17 -0.29 0.00 1.81 -1.09 -4.98 118.95 113.96 3kbz s ARG 243 Ca 0.09 0.42 0.02 0.00 -1.72 0.00 0.00 55.73 54.54 3kbz s ARG 243 Cb -0.11 -0.10 0.16 0.00 -0.45 0.00 0.00 34.95 34.45 3kbz s ARG 243 CO 0.01 -0.14 0.41 -0.47 -0.68 0.00 0.00 175.30 174.43 3kbz s TYR 244 N 1.00 -0.99 0.09 -0.53 5.04 -1.26 -4.11 117.35 116.59 3kbz s TYR 244 Ca -0.07 0.29 -0.11 0.00 -2.44 0.00 0.00 57.07 54.74 3kbz s TYR 244 Cb -0.09 -0.17 -0.18 0.00 0.35 0.00 0.00 41.96 41.87 3kbz s TYR 244 CO -0.06 -0.99 1.24 0.28 -1.34 0.00 0.00 175.55 174.68 3kbz h VAL 245 N 6.16 1.31 0.00 3.14 2.07 -1.97 -3.48 116.25 123.48 3kbz h VAL 245 Ca -0.09 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3kbz h VAL 245 Cb 1.12 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3kbz h VAL 245 CO 0.27 0.69 0.00 0.61 0.02 0.00 0.00 177.57 179.16 3kbz n GLY 246 N 0.99 0.40 3.21 2.17 0.00 -1.26 -5.03 105.19 105.67 3kbz n GLY 246 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3kbz n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbz s SER 247 N -2.57 3.93 0.21 1.61 0.15 -1.26 -4.92 113.70 110.85 3kbz s SER 247 Ca 0.00 -0.66 -0.09 0.00 0.70 0.00 0.00 55.95 55.89 3kbz s SER 247 Cb 0.00 -1.63 0.26 0.00 -1.71 0.00 0.00 66.02 62.94 3kbz s SER 247 CO 0.00 -0.05 1.78 -0.03 1.20 0.00 0.00 173.24 176.13 3kbz h MET 248 N 8.01 0.53 -0.97 5.44 4.05 -1.93 -0.99 114.93 129.08 3kbz h MET 248 Ca -0.39 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 3kbz h MET 248 Cb 1.13 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.77 3kbz h MET 248 CO 0.60 0.35 0.61 0.28 0.23 0.00 0.00 176.91 178.99 3kbz h VAL 249 N 0.55 1.26 -0.10 -5.77 2.07 -1.94 0.17 116.25 112.48 3kbz h VAL 249 Ca 0.30 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3kbz h VAL 249 Cb 0.28 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3kbz h VAL 249 CO -0.24 0.26 -0.07 0.00 0.02 0.00 0.00 177.57 177.54 3kbz h ALA 250 N 1.36 0.15 -0.62 1.67 0.00 -1.74 -1.01 119.26 119.06 3kbz h ALA 250 Ca 0.35 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kbz h ALA 250 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kbz h ALA 250 CO -0.07 -0.05 0.16 -0.44 0.00 0.00 0.00 179.25 178.84 3kbz h ASP 251 N -0.15 0.94 -0.48 0.00 3.32 -0.97 -2.09 116.42 116.99 3kbz h ASP 251 Ca 0.02 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.73 3kbz h ASP 251 Cb 0.55 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3kbz h ASP 251 CO 0.02 0.92 -0.15 0.58 -1.72 0.00 0.00 179.24 178.89 3kbz h VAL 252 N 0.91 1.27 -0.76 -1.35 2.07 -0.68 -2.15 116.25 115.57 3kbz h VAL 252 Ca 0.20 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 3kbz h VAL 252 Cb 0.35 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3kbz h VAL 252 CO 0.00 0.45 0.28 -0.74 0.02 0.00 0.00 177.57 177.58 3kbz h HIS 253 N 0.80 1.18 -0.82 1.57 -0.00 -1.03 -0.74 115.15 116.10 3kbz h HIS 253 Ca 0.12 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3kbz h HIS 253 Cb 0.72 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.74 3kbz h HIS 253 CO 0.05 0.91 0.36 -0.09 -0.00 0.00 0.00 177.93 179.16 3kbz h ARG 254 N 1.11 1.21 -0.42 5.26 2.43 -1.28 -0.32 114.38 122.36 3kbz h ARG 254 Ca 0.25 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3kbz h ARG 254 Cb 0.25 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3kbz h ARG 254 CO -0.02 0.96 0.28 1.15 -1.51 0.00 0.00 179.97 180.83 3kbz h THR 255 N 1.19 1.11 -0.38 0.20 2.02 -0.76 0.29 112.91 116.58 3kbz h THR 255 Ca 0.28 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3kbz h THR 255 Cb 0.17 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3kbz h THR 255 CO -0.03 0.10 0.15 0.25 0.37 0.00 0.00 175.52 176.36 3kbz h LEU 256 N 0.57 0.53 -0.08 2.58 5.85 -0.65 0.75 115.31 124.86 3kbz h LEU 256 Ca 0.15 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3kbz h LEU 256 Cb -0.07 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3kbz h LEU 256 CO -0.03 0.56 -0.23 0.58 -0.34 0.00 0.00 178.44 178.98 3kbz h VAL 257 N 0.47 1.41 0.00 1.05 2.07 -0.82 -3.36 116.25 117.07 3kbz h VAL 257 Ca 0.13 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3kbz h VAL 257 Cb 0.20 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3kbz h VAL 257 CO -0.01 0.45 -1.31 -1.22 0.02 0.00 0.00 177.57 175.50 3kbz n TYR 258 N -4.51 0.00 0.00 1.57 4.01 0.10 -4.90 117.16 113.43 3kbz n TYR 258 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3kbz n TYR 258 Cb 0.44 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3kbz n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbz n GLY 259 N 1.42 -0.81 0.00 2.72 0.00 0.26 -4.70 105.19 104.08 3kbz n GLY 259 Ca 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3kbz n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbz n GLY 260 N -0.85 0.19 2.95 -0.02 0.00 -1.26 -4.54 105.19 101.66 3kbz n GLY 260 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 3kbz n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kbz s ILE 261 N 0.00 0.18 -0.07 -0.61 2.07 -0.42 0.59 121.20 122.93 3kbz s ILE 261 Ca 0.00 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 3kbz s ILE 261 Cb 0.00 -0.23 -0.00 0.00 0.13 0.00 0.00 42.46 42.36 3kbz s ILE 261 CO 0.00 -0.20 -0.20 0.12 -1.91 0.00 0.00 174.94 172.74 3kbz s PHE 262 N -0.70 2.14 -0.00 3.50 5.36 0.14 -0.83 117.98 127.57 3kbz s PHE 262 Ca -0.06 -0.76 0.03 0.00 -0.96 0.00 0.00 56.93 55.18 3kbz s PHE 262 Cb -0.05 -1.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.18 3kbz s PHE 262 CO -0.00 -0.29 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.86 3kbz s LEU 263 N 0.23 2.03 -0.43 6.12 1.02 0.13 -1.09 118.68 126.68 3kbz s LEU 263 Ca -0.11 -0.19 0.07 0.00 0.02 0.00 0.00 54.13 53.92 3kbz s LEU 263 Cb -0.15 -0.50 0.25 0.00 0.02 0.00 0.00 46.19 45.81 3kbz s LEU 263 CO 0.05 0.11 0.69 0.00 0.02 0.00 0.00 176.35 177.22 3kbz n TYR 264 N 2.78 -1.59 -1.58 0.29 4.19 -0.21 -4.33 117.16 116.71 3kbz n TYR 264 Ca -0.14 -2.82 -0.29 0.00 3.31 0.00 0.00 57.90 57.96 3kbz n TYR 264 Cb 0.57 0.45 0.13 0.00 0.49 0.00 0.00 39.34 40.98 3kbz n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kbz s PRO 265 N -0.45 1.26 0.42 2.98 0.04 -1.26 -2.21 135.00 135.79 3kbz s PRO 265 Ca 0.34 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 3kbz s PRO 265 Cb 0.20 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.81 3kbz s PRO 265 CO -0.16 -2.11 0.86 0.00 0.04 0.00 0.00 177.00 175.62 3kbz s ALA 266 N -3.31 3.21 0.00 8.56 0.00 -1.26 -4.64 121.76 124.32 3kbz s ALA 266 Ca 0.63 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3kbz s ALA 266 Cb -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3kbz s ALA 266 CO 0.53 0.03 0.00 0.27 0.00 0.00 0.00 175.76 176.59 3kbz n ASN 267 N -1.05 0.00 0.27 0.00 2.04 -0.31 -4.49 115.26 111.71 3kbz n ASN 267 Ca 0.05 0.00 -0.15 0.00 -0.44 0.00 0.00 54.58 54.03 3kbz n ASN 267 Cb 0.54 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.71 3kbz n ASN 267 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3kbz h LYS 268 N 0.00 -0.64 0.00 -3.83 3.64 -1.87 -3.24 116.57 110.63 3kbz h LYS 268 Ca 0.00 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3kbz h LYS 268 Cb 0.00 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3kbz h LYS 268 CO 0.00 -0.36 -0.40 0.87 -2.27 0.00 0.00 179.45 177.29 3kbz h LYS 269 N -0.83 0.00 -2.82 1.90 1.79 -1.98 -3.40 116.57 111.24 3kbz h LYS 269 Ca -0.07 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.80 3kbz h LYS 269 Cb 0.58 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.83 3kbz h LYS 269 CO 0.11 0.40 -0.76 -1.12 -1.08 0.00 0.00 179.45 177.01 3kbz s SER 270 N -6.40 3.34 0.56 0.86 0.01 -1.23 -4.97 113.70 105.87 3kbz s SER 270 Ca 0.02 -3.22 0.25 0.00 1.31 0.00 0.00 55.95 54.31 3kbz s SER 270 Cb 0.09 -1.05 1.55 0.00 0.21 0.00 0.00 66.02 66.82 3kbz s SER 270 CO 0.70 -0.17 2.13 1.55 0.41 0.00 0.00 173.24 177.86 3kbz h PRO 271 N 5.88 0.00 -0.32 12.44 0.13 -1.78 -0.62 132.00 147.74 3kbz h PRO 271 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3kbz h PRO 271 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3kbz h PRO 271 CO 0.53 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.39 3kbz n ASN 272 N -4.10 3.61 0.00 1.44 3.02 -1.26 -4.75 115.26 113.22 3kbz n ASN 272 Ca 0.01 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 3kbz n ASN 272 Cb 0.25 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3kbz n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kbz n GLY 273 N -0.03 -2.21 0.02 7.41 0.00 -0.76 -0.95 105.19 108.66 3kbz n GLY 273 Ca 0.18 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 3kbz n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kbz n LYS 274 N -0.35 1.68 -2.05 1.61 4.81 -1.26 -4.62 118.16 117.98 3kbz n LYS 274 Ca 0.00 0.01 -0.35 0.00 -0.87 0.00 0.00 58.31 57.10 3kbz n LYS 274 Cb 0.00 -1.09 0.03 0.00 0.02 0.00 0.00 35.03 33.98 3kbz n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kbz s LEU 275 N -4.79 3.64 0.06 3.14 1.43 -1.26 -4.79 118.68 116.11 3kbz s LEU 275 Ca -0.04 2.25 -0.26 0.00 -1.03 0.00 0.00 54.13 55.06 3kbz s LEU 275 Cb 0.01 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.59 3kbz s LEU 275 CO 0.13 -1.49 0.79 -0.13 0.23 0.00 0.00 176.35 175.88 3kbz s ARG 276 N -3.44 4.52 0.02 1.70 3.00 -1.26 -0.73 118.95 122.76 3kbz s ARG 276 Ca 0.74 1.12 -0.24 0.00 0.00 0.00 0.00 55.73 57.35 3kbz s ARG 276 Cb -0.26 -3.36 -0.18 0.00 0.00 0.00 0.00 34.95 31.15 3kbz s ARG 276 CO 0.32 0.28 1.41 1.25 0.00 0.00 0.00 175.30 178.56 3kbz h LEU 277 N 5.62 0.07 -0.53 2.53 5.85 -1.50 0.60 115.31 127.96 3kbz h LEU 277 Ca -0.44 -0.36 -0.06 0.00 0.84 0.00 0.00 57.88 57.86 3kbz h LEU 277 Cb 1.21 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3kbz h LEU 277 CO 0.71 0.41 0.09 -0.07 -0.34 0.00 0.00 178.44 179.24 3kbz h LEU 278 N -0.28 0.83 -2.99 2.25 -0.00 -1.79 -0.37 115.31 112.97 3kbz h LEU 278 Ca 0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 3kbz h LEU 278 Cb 0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 3kbz h LEU 278 CO 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 178.44 179.32 3kbz n TYR 279 N -4.39 0.07 0.09 1.13 4.11 -1.26 -4.55 117.16 112.36 3kbz n TYR 279 Ca 0.02 -0.52 0.00 0.00 -0.00 0.00 0.00 57.90 57.40 3kbz n TYR 279 Cb 0.26 -0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.54 3kbz n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3kbz n GLU 280 N -0.40 0.00 0.18 -3.48 1.02 -0.99 -4.16 120.64 112.81 3kbz n GLU 280 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 3kbz n GLU 280 Cb 0.29 -0.26 -0.07 0.00 -0.02 0.00 0.00 31.44 31.38 3kbz n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kbz h ASN 282 N -0.89 -0.18 -0.62 0.00 -0.26 -1.30 0.52 115.58 112.85 3kbz h ASN 282 Ca -0.05 0.06 0.03 0.00 -0.56 0.00 0.00 56.30 55.78 3kbz h ASN 282 Cb 0.54 0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.87 3kbz h ASN 282 CO 0.08 -0.06 0.37 -0.65 -1.06 0.00 0.00 177.43 176.11 3kbz h PRO 283 N -0.00 0.71 -0.11 0.81 0.11 -1.80 0.36 132.00 132.07 3kbz h PRO 283 Ca 0.09 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 3kbz h PRO 283 Cb 0.14 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3kbz h PRO 283 CO -0.19 0.47 -0.50 0.52 -0.21 0.00 0.00 178.00 178.08 3kbz h MET 284 N 0.73 0.28 -0.34 1.05 2.86 -1.44 -1.95 114.93 116.12 3kbz h MET 284 Ca 0.25 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3kbz h MET 284 Cb 0.05 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3kbz h MET 284 CO -0.12 0.72 -0.31 0.00 1.06 0.00 0.00 176.91 178.26 3kbz h ALA 285 N 1.25 0.81 -0.49 6.32 0.00 -0.36 -1.45 119.26 125.34 3kbz h ALA 285 Ca 0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3kbz h ALA 285 Cb 0.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3kbz h ALA 285 CO 0.08 0.65 0.04 -0.92 0.00 0.00 0.00 179.25 179.09 3kbz h TYR 286 N 0.63 0.90 -0.61 0.00 3.20 -0.72 -0.75 116.97 119.62 3kbz h TYR 286 Ca 0.07 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.72 3kbz h TYR 286 Cb 0.84 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3kbz h TYR 286 CO 0.04 0.84 0.08 0.28 -1.64 0.00 0.00 178.16 177.76 3kbz h VAL 287 N 0.70 1.26 -0.08 1.81 2.07 -1.21 -1.80 116.25 119.00 3kbz h VAL 287 Ca 0.14 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3kbz h VAL 287 Cb 0.46 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3kbz h VAL 287 CO 0.02 0.37 0.02 0.24 0.02 0.00 0.00 177.57 178.24 3kbz h MET 288 N 0.93 0.12 -0.83 1.57 2.86 -0.96 -2.18 114.93 116.45 3kbz h MET 288 Ca 0.18 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3kbz h MET 288 Cb 0.43 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3kbz h MET 288 CO 0.01 0.33 0.36 0.93 1.06 0.00 0.00 176.91 179.61 3kbz h GLU 289 N -0.10 1.21 0.00 1.72 5.08 -1.05 0.75 114.58 122.20 3kbz h GLU 289 Ca 0.02 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3kbz h GLU 289 Cb 0.26 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kbz h GLU 289 CO 0.00 0.95 -0.04 0.87 -1.00 0.00 0.00 179.01 179.79 3kbz h LYS 290 N 1.19 0.00 -0.35 2.33 1.79 -1.24 -1.31 116.57 118.97 3kbz h LYS 290 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3kbz h LYS 290 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3kbz h LYS 290 CO -0.03 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 3kbz n ALA 291 N -2.14 2.45 -0.70 3.86 0.00 -0.55 -4.43 120.51 118.99 3kbz n ALA 291 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3kbz n ALA 291 Cb 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3kbz n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbz n GLY 292 N 1.36 0.60 0.35 0.00 0.00 -0.49 -0.75 105.19 106.25 3kbz n GLY 292 Ca 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 3kbz n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbz n GLY 293 N -2.70 2.28 3.21 -0.02 0.00 0.25 -4.51 105.19 103.70 3kbz n GLY 293 Ca 0.00 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 3kbz n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kbz s MET 294 N -2.22 0.96 -0.25 1.61 1.00 -0.75 -3.81 119.30 115.84 3kbz s MET 294 Ca 0.05 -1.35 -0.02 0.00 0.00 0.00 0.00 55.69 54.36 3kbz s MET 294 Cb -0.00 -0.51 0.13 0.00 0.00 0.00 0.00 34.83 34.45 3kbz s MET 294 CO 0.03 0.06 0.37 0.00 0.00 0.00 0.00 175.02 175.48 3kbz s ALA 295 N -3.15 -1.05 0.22 3.03 0.00 -1.26 -1.63 121.76 117.92 3kbz s ALA 295 Ca 0.13 0.81 0.09 0.00 0.00 0.00 0.00 51.96 52.99 3kbz s ALA 295 Cb 0.02 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 3kbz s ALA 295 CO -0.01 -1.30 -0.17 -0.08 0.00 0.00 0.00 175.76 174.20 3kbz s THR 296 N 2.53 2.00 -1.70 0.00 -1.32 -0.00 -1.57 115.64 115.57 3kbz s THR 296 Ca 0.12 -2.19 0.23 0.00 -1.21 0.00 0.00 61.69 58.64 3kbz s THR 296 Cb -0.15 -2.08 -0.01 0.00 -1.51 0.00 0.00 72.50 68.75 3kbz s THR 296 CO -0.17 -0.45 1.15 0.35 -2.21 0.00 0.00 174.62 173.29 3kbz n THR 297 N -0.26 0.00 0.00 5.08 -2.24 -0.07 -0.40 114.28 116.38 3kbz n THR 297 Ca -0.09 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3kbz n THR 297 Cb 0.59 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3kbz n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kbz n GLY 298 N 1.43 3.09 0.10 3.38 0.00 -1.26 -4.71 105.19 107.22 3kbz n GLY 298 Ca 0.08 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3kbz n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kbz n LYS 299 N 0.00 0.67 -3.86 1.61 4.81 -1.26 -4.96 118.16 115.17 3kbz n LYS 299 Ca 0.00 0.16 -0.07 0.00 -0.87 0.00 0.00 58.31 57.53 3kbz n LYS 299 Cb 0.00 -1.64 -0.02 0.00 0.02 0.00 0.00 35.03 33.39 3kbz n LYS 299 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3kbz s GLU 300 N -2.54 1.82 0.17 1.64 -1.05 -1.26 -5.13 118.70 112.35 3kbz s GLU 300 Ca -0.13 -1.05 -0.31 0.00 -0.15 0.00 0.00 54.97 53.33 3kbz s GLU 300 Cb 0.07 0.60 -0.09 0.00 -0.44 0.00 0.00 34.13 34.28 3kbz s GLU 300 CO 0.79 -0.83 1.41 0.00 0.95 0.00 0.00 175.26 177.57 3kbz s ALA 301 N -3.77 3.61 0.28 -0.84 0.00 -1.26 -0.89 121.76 118.89 3kbz s ALA 301 Ca 0.12 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3kbz s ALA 301 Cb -0.06 -3.54 0.65 0.00 0.00 0.00 0.00 23.12 20.18 3kbz s ALA 301 CO 0.08 -0.65 1.69 0.28 0.00 0.00 0.00 175.76 177.16 3kbz h VAL 302 N 3.93 0.49 0.00 0.00 2.07 -1.59 0.36 116.25 121.50 3kbz h VAL 302 Ca -0.44 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3kbz h VAL 302 Cb 1.21 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3kbz h VAL 302 CO 0.83 0.07 -0.00 -0.07 0.02 0.00 0.00 177.57 178.42 3kbz h LEU 303 N 0.37 0.00 -0.47 2.57 4.07 -1.90 -2.55 115.31 117.39 3kbz h LEU 303 Ca 0.52 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.48 3kbz h LEU 303 Cb 0.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.70 3kbz h LEU 303 CO -0.53 0.00 -0.47 0.47 -1.08 0.00 0.00 178.44 176.84 3kbz n ASP 304 N -3.13 1.20 -4.71 -0.43 8.00 0.11 -0.92 116.55 116.67 3kbz n ASP 304 Ca -0.02 -0.96 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 3kbz n ASP 304 Cb 0.11 0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3kbz n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kbz s VAL 305 N -2.65 3.39 -0.46 2.53 1.01 -0.96 -4.96 120.40 118.30 3kbz s VAL 305 Ca 0.18 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 3kbz s VAL 305 Cb 0.18 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.97 3kbz s VAL 305 CO 0.62 0.08 0.50 -0.63 0.00 0.00 0.00 175.10 175.66 3kbz s ILE 306 N 1.14 5.04 0.56 2.22 1.01 -1.26 -4.35 121.20 125.56 3kbz s ILE 306 Ca 0.64 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 3kbz s ILE 306 Cb -0.36 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 3kbz s ILE 306 CO 0.30 -0.59 1.12 -2.16 0.00 0.00 0.00 174.94 173.61 3kbz s PRO 307 N 2.23 3.27 0.00 2.79 0.04 -1.26 -4.96 135.00 137.11 3kbz s PRO 307 Ca 0.12 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3kbz s PRO 307 Cb -0.19 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3kbz s PRO 307 CO 0.12 -0.90 0.00 0.25 0.04 0.00 0.00 177.00 176.51 3kbz n THR 308 N -1.54 0.00 -3.74 1.26 -2.24 -1.26 -4.81 114.28 101.96 3kbz n THR 308 Ca 0.11 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.33 3kbz n THR 308 Cb 0.51 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.58 3kbz n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kbz s ASP 309 N -0.80 0.31 0.65 3.42 3.68 -1.26 -5.05 116.67 117.62 3kbz s ASP 309 Ca 0.00 0.12 0.41 0.00 2.13 0.00 0.00 52.55 55.21 3kbz s ASP 309 Cb 0.00 -0.01 2.22 0.00 -1.45 0.00 0.00 42.92 43.69 3kbz s ASP 309 CO 0.00 -0.17 2.25 0.16 0.13 0.00 0.00 175.17 177.54 3kbz h ILE 310 N 6.29 0.00 -0.15 4.11 3.07 -1.93 -1.73 117.51 127.17 3kbz h ILE 310 Ca -0.36 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.05 3kbz h ILE 310 Cb 1.12 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 3kbz h ILE 310 CO 0.37 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.88 3kbz n HIS 311 N -2.99 0.53 -2.16 0.16 8.25 -1.26 -4.50 115.22 113.26 3kbz n HIS 311 Ca -0.03 -0.92 -0.38 0.00 -0.26 0.00 0.00 57.72 56.14 3kbz n HIS 311 Cb 0.12 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 30.99 3kbz n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3kbz s GLN 312 N -2.79 3.68 0.59 -0.41 -2.07 -0.65 -4.84 119.66 113.16 3kbz s GLN 312 Ca 0.37 1.89 -0.05 0.00 -1.82 0.00 0.00 55.36 55.76 3kbz s GLN 312 Cb 0.31 -2.43 0.02 0.00 -1.09 0.00 0.00 33.01 29.82 3kbz s GLN 312 CO 0.06 -0.65 0.88 1.03 -1.32 0.00 0.00 175.29 175.29 3kbz s ARG 313 N -2.67 2.81 -0.23 9.60 0.52 -1.26 -1.40 118.95 126.32 3kbz s ARG 313 Ca 0.64 -0.15 -0.17 0.00 -0.52 0.00 0.00 55.73 55.53 3kbz s ARG 313 Cb -0.32 -2.31 0.06 0.00 0.52 0.00 0.00 34.95 32.91 3kbz s ARG 313 CO 0.38 -0.72 0.59 0.00 0.02 0.00 0.00 175.30 175.57 3kbz s ALA 314 N -2.96 -1.51 0.58 2.13 0.00 0.09 -4.65 121.76 115.44 3kbz s ALA 314 Ca 0.54 1.88 -0.17 0.00 0.00 0.00 0.00 51.96 54.21 3kbz s ALA 314 Cb -0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3kbz s ALA 314 CO 0.44 -0.31 1.08 -1.25 0.00 0.00 0.00 175.76 175.72 3kbz s PRO 315 N 0.92 3.30 -0.15 0.00 0.04 -0.88 -4.18 135.00 134.04 3kbz s PRO 315 Ca -0.05 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 3kbz s PRO 315 Cb -0.05 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.52 3kbz s PRO 315 CO -0.08 -0.84 0.39 0.54 0.04 0.00 0.00 177.00 177.04 3kbz s VAL 316 N -2.21 -0.02 -0.13 -0.36 0.11 -0.94 -4.25 120.40 112.60 3kbz s VAL 316 Ca 0.67 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.75 3kbz s VAL 316 Cb -0.18 -0.56 0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3kbz s VAL 316 CO 0.33 0.02 0.02 -0.63 -3.33 0.00 0.00 175.10 171.51 3kbz s ILE 317 N 0.88 0.46 0.20 7.04 1.09 0.47 -1.04 121.20 130.30 3kbz s ILE 317 Ca -0.05 -0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 59.28 3kbz s ILE 317 Cb -0.06 -0.78 -0.04 0.00 -1.06 0.00 0.00 42.46 40.51 3kbz s ILE 317 CO -0.07 0.04 0.12 -1.48 -0.10 0.00 0.00 174.94 173.46 3kbz s LEU 318 N 1.91 1.22 0.00 2.97 0.05 -0.25 -0.82 118.68 123.76 3kbz s LEU 318 Ca 0.02 -1.38 0.00 0.00 0.05 0.00 0.00 54.13 52.82 3kbz s LEU 318 Cb -0.15 0.34 0.00 0.00 -2.05 0.00 0.00 46.19 44.34 3kbz s LEU 318 CO -0.07 -0.83 0.00 0.61 -0.55 0.00 0.00 176.35 175.52 3kbz n GLY 319 N -0.28 0.66 3.67 -3.48 0.00 -0.64 0.23 105.19 105.34 3kbz n GLY 319 Ca 0.02 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 3kbz n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kbz n SER 320 N 0.00 2.61 -0.03 1.61 7.64 0.20 -1.80 113.62 123.85 3kbz n SER 320 Ca 0.00 1.15 -0.10 0.00 1.01 0.00 0.00 58.87 60.93 3kbz n SER 320 Cb 0.00 -1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 61.75 3kbz n SER 320 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kbz h PRO 321 N 3.82 -0.36 -0.80 1.43 0.11 -1.77 -0.66 132.00 133.78 3kbz h PRO 321 Ca -0.45 0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.81 3kbz h PRO 321 Cb 1.28 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.42 3kbz h PRO 321 CO 0.73 -0.24 0.52 -0.44 -0.21 0.00 0.00 178.00 178.36 3kbz h ASP 322 N -0.37 0.55 -0.01 -2.05 5.19 -1.80 0.28 116.42 118.22 3kbz h ASP 322 Ca 0.11 0.03 -0.22 0.00 -0.62 0.00 0.00 57.03 56.33 3kbz h ASP 322 Cb 0.55 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.98 3kbz h ASP 322 CO -0.40 0.30 -0.80 0.44 -3.12 0.00 0.00 179.24 175.66 3kbz h ASP 323 N 0.60 0.81 -0.17 6.45 3.45 -1.49 -1.92 116.42 124.15 3kbz h ASP 323 Ca 0.39 -0.55 -0.11 0.00 0.43 0.00 0.00 57.03 57.19 3kbz h ASP 323 Cb 0.67 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 3kbz h ASP 323 CO -0.15 1.33 -0.34 0.58 -1.57 0.00 0.00 179.24 179.09 3kbz h VAL 324 N 0.45 1.35 -0.76 -1.35 2.07 -0.28 -2.23 116.25 115.49 3kbz h VAL 324 Ca -0.06 -1.59 0.08 0.00 0.82 0.00 0.00 66.70 65.96 3kbz h VAL 324 Cb 1.42 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 33.07 3kbz h VAL 324 CO 0.16 0.48 0.42 -0.07 0.02 0.00 0.00 177.57 178.58 3kbz h LEU 325 N 0.17 0.59 -0.94 2.57 -0.00 -0.50 0.65 115.31 117.83 3kbz h LEU 325 Ca 0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.90 3kbz h LEU 325 Cb 0.94 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.50 3kbz h LEU 325 CO 0.08 0.35 0.34 -0.08 -0.00 0.00 0.00 178.44 179.12 3kbz h GLU 326 N 0.72 1.10 -0.21 1.13 4.81 -1.23 -0.61 114.58 120.29 3kbz h GLU 326 Ca 0.36 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3kbz h GLU 326 Cb 0.32 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3kbz h GLU 326 CO -0.24 0.86 0.07 0.35 -0.73 0.00 0.00 179.01 179.32 3kbz h PHE 327 N 1.09 0.33 -0.26 0.92 3.57 -0.47 -2.36 116.94 119.76 3kbz h PHE 327 Ca 0.26 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.78 3kbz h PHE 327 Cb 0.15 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3kbz h PHE 327 CO 0.01 0.40 0.18 -0.07 -2.23 0.00 0.00 178.31 176.60 3kbz h LEU 328 N 0.16 0.11 -0.10 0.59 3.38 -0.41 0.19 115.31 119.24 3kbz h LEU 328 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kbz h LEU 328 Cb 0.22 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kbz h LEU 328 CO -0.00 0.08 0.02 0.11 0.09 0.00 0.00 178.44 178.74 3kbz h LYS 329 N 0.13 0.15 -0.62 1.13 1.57 -0.62 0.98 116.57 119.29 3kbz h LYS 329 Ca 0.12 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3kbz h LYS 329 Cb 0.30 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3kbz h LYS 329 CO -0.02 0.33 0.20 0.28 -0.57 0.00 0.00 179.45 179.68 3kbz h VAL 330 N -0.05 1.24 -0.56 0.50 2.07 -0.81 -2.07 116.25 116.57 3kbz h VAL 330 Ca 0.03 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3kbz h VAL 330 Cb 0.25 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3kbz h VAL 330 CO 0.00 0.31 0.34 0.22 0.02 0.00 0.00 177.57 178.46 3kbz h TYR 331 N 0.88 0.63 -0.17 1.57 3.20 -0.43 -1.99 116.97 120.65 3kbz h TYR 331 Ca 0.20 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 3kbz h TYR 331 Cb 0.28 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3kbz h TYR 331 CO 0.02 0.35 -0.17 0.93 -1.64 0.00 0.00 178.16 177.65 3kbz h GLU 332 N 0.66 0.29 0.00 1.82 5.08 -0.56 -2.31 114.58 119.56 3kbz h GLU 332 Ca 0.23 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3kbz h GLU 332 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3kbz h GLU 332 CO -0.10 0.46 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.89 3kbz h LYS 333 N 0.27 0.00 -0.37 2.33 3.64 -0.65 -2.05 116.57 119.74 3kbz h LYS 333 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3kbz h LYS 333 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3kbz h LYS 333 CO 0.03 0.25 0.00 0.72 -2.27 0.00 0.00 179.45 178.18 3kbz n HIS 334 N -4.10 0.47 1.05 1.91 8.25 -0.91 -5.12 115.22 116.78 3kbz n HIS 334 Ca -0.02 -0.24 0.12 0.00 -0.26 0.00 0.00 57.72 57.33 3kbz n HIS 334 Cb 0.31 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.56 3kbz n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41