#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 3.17 -3.86 2.53 0.24 -1.26 -5.03 118.33 114.12 3kbz n VAL 10 Ca 0.00 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3kbz n VAL 10 Cb 0.00 -1.22 -0.12 0.00 -1.47 0.00 0.00 33.84 31.03 3kbz n VAL 10 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3kbz s ASN 11 N -1.68 -0.03 0.33 -1.34 3.04 -1.26 -5.08 114.94 108.91 3kbz s ASN 11 Ca 0.76 0.04 0.10 0.00 0.04 0.00 0.00 52.86 53.80 3kbz s ASN 11 Cb -0.34 0.17 -0.06 0.00 -1.54 0.00 0.00 41.25 39.48 3kbz s ASN 11 CO 0.48 -0.11 -0.09 0.42 -3.04 0.00 0.00 177.10 174.76 3kbz s THR 12 N -0.33 2.42 0.20 -5.21 -4.23 -1.26 -1.41 115.64 105.81 3kbz s THR 12 Ca -0.04 -2.19 -0.11 0.00 -1.18 0.00 0.00 61.69 58.17 3kbz s THR 12 Cb -0.03 -2.61 0.12 0.00 1.34 0.00 0.00 72.50 71.32 3kbz s THR 12 CO 0.00 -0.25 1.82 0.25 -0.54 0.00 0.00 174.62 175.90 3kbz h LEU 13 N 2.02 0.56 0.07 4.79 5.85 -1.61 0.80 115.31 127.80 3kbz h LEU 13 Ca -0.42 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.33 3kbz h LEU 13 Cb 1.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3kbz h LEU 13 CO 0.67 0.38 -0.12 0.74 -0.34 0.00 0.00 178.44 179.77 3kbz h THR 14 N 0.69 0.71 -0.29 1.05 2.02 -1.96 0.12 112.91 115.25 3kbz h THR 14 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3kbz h THR 14 Cb 0.09 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3kbz h THR 14 CO -0.14 0.00 0.18 -0.09 0.37 0.00 0.00 175.52 175.85 3kbz h ARG 15 N -0.24 0.39 0.27 6.66 2.43 -1.87 -0.94 114.38 121.08 3kbz h ARG 15 Ca 0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kbz h ARG 15 Cb 0.26 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3kbz h ARG 15 CO -0.07 0.29 -0.23 0.35 -1.51 0.00 0.00 179.97 178.80 3kbz h PHE 16 N 0.38 -0.61 -0.71 2.20 3.57 -0.66 -1.34 116.94 119.77 3kbz h PHE 16 Ca 0.11 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3kbz h PHE 16 Cb -0.01 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 3kbz h PHE 16 CO -0.05 -0.35 0.44 0.28 -2.23 0.00 0.00 178.31 176.41 3kbz h VAL 17 N -0.52 1.08 -0.70 1.41 2.07 -0.91 -1.26 116.25 117.42 3kbz h VAL 17 Ca -0.01 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3kbz h VAL 17 Cb 0.47 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3kbz h VAL 17 CO -0.03 0.16 0.32 -0.03 0.02 0.00 0.00 177.57 178.00 3kbz h MET 18 N 0.85 1.01 -0.09 1.57 1.85 -0.97 -1.08 114.93 118.08 3kbz h MET 18 Ca 0.29 -0.15 -0.05 0.00 -0.61 0.00 0.00 59.70 59.19 3kbz h MET 18 Cb 0.05 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 31.90 3kbz h MET 18 CO -0.12 0.80 -0.12 0.93 -0.40 0.00 0.00 176.91 177.99 3kbz h GLU 19 N 1.00 0.24 -0.86 0.39 4.39 -0.69 -1.54 114.58 117.52 3kbz h GLU 19 Ca 0.24 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.82 3kbz h GLU 19 Cb 0.13 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 3kbz h GLU 19 CO -0.03 0.70 0.57 0.93 -1.16 0.00 0.00 179.01 180.02 3kbz h GLU 20 N -0.19 1.09 -0.53 2.33 4.39 -1.15 -1.47 114.58 119.04 3kbz h GLU 20 Ca 0.01 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 3kbz h GLU 20 Cb 0.67 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3kbz h GLU 20 CO 0.03 0.72 -0.01 0.78 -1.16 0.00 0.00 179.01 179.37 3kbz h GLY 21 N 1.13 0.99 0.99 -3.84 0.00 -1.11 -2.16 103.07 99.07 3kbz h GLY 21 Ca 0.33 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 3kbz h GLY 21 CO -0.08 0.65 0.14 -0.09 0.00 0.00 0.00 176.54 177.16 3kbz h ARG 22 N 0.85 0.85 -0.47 4.80 2.43 -0.51 -2.74 114.38 119.58 3kbz h ARG 22 Ca 0.16 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3kbz h ARG 22 Cb 0.52 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3kbz h ARG 22 CO 0.03 0.80 0.15 0.87 -1.51 0.00 0.00 179.97 180.31 3kbz h LYS 23 N 0.75 0.69 0.00 0.20 1.57 -1.09 -2.30 116.57 116.40 3kbz h LYS 23 Ca 0.17 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kbz h LYS 23 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kbz h LYS 23 CO -0.00 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.48 3kbz h ALA 24 N 1.49 1.00 -6.43 3.86 0.00 -1.09 -3.47 119.26 114.62 3kbz h ALA 24 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.58 3kbz h ALA 24 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3kbz h ALA 24 CO -0.01 0.00 -0.89 0.54 0.00 0.00 0.00 179.25 178.89 3kbz n ARG 25 N -2.57 -3.29 0.00 0.00 1.74 -0.87 -4.98 116.66 106.69 3kbz n ARG 25 Ca 0.01 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3kbz n ARG 25 Cb 0.25 -4.55 0.00 0.00 -1.02 0.00 0.00 32.46 27.13 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 -1.92 3.09 0.05 -0.13 0.00 -1.26 -5.03 105.19 100.00 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 0.27 -0.46 2.61 -2.24 -1.26 -4.95 114.28 108.25 3kbz n THR 27 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3kbz n THR 27 Cb 0.00 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 1.38 0.73 0.15 3.38 0.00 -1.26 -4.97 105.19 104.60 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 4.05 -0.26 -0.40 1.61 5.08 -1.98 -2.25 114.58 120.44 3kbz h GLU 29 Ca 0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3kbz h GLU 29 Cb 0.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3kbz h GLU 29 CO 0.00 -0.17 0.27 1.25 -1.00 0.00 0.00 179.01 179.35 3kbz h LEU 30 N -0.27 0.32 -0.23 1.33 5.85 -1.93 0.12 115.31 120.50 3kbz h LEU 30 Ca -0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kbz h LEU 30 Cb 0.23 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3kbz h LEU 30 CO 0.00 0.22 0.12 0.74 -0.34 0.00 0.00 178.44 179.18 3kbz h THR 31 N 0.37 1.12 -0.46 1.05 2.02 -1.80 0.17 112.91 115.37 3kbz h THR 31 Ca 0.17 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3kbz h THR 31 Cb 0.21 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3kbz h THR 31 CO -0.04 0.12 0.01 1.56 0.37 0.00 0.00 175.52 177.54 3kbz h GLN 32 N 0.26 0.74 -0.16 6.66 4.20 -0.52 -0.52 115.11 125.78 3kbz h GLN 32 Ca 0.08 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3kbz h GLN 32 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3kbz h GLN 32 CO -0.01 0.74 -0.00 1.25 -0.67 0.00 0.00 178.83 180.14 3kbz h LEU 33 N 0.70 0.27 -0.80 1.46 6.46 -0.50 -1.64 115.31 121.26 3kbz h LEU 33 Ca 0.14 -0.31 -0.09 0.00 -0.12 0.00 0.00 57.88 57.50 3kbz h LEU 33 Cb 0.41 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 3kbz h LEU 33 CO 0.02 0.52 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.19 3kbz h LEU 34 N 0.02 0.79 -0.72 2.25 3.38 -0.79 -0.59 115.31 119.64 3kbz h LEU 34 Ca 0.04 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3kbz h LEU 34 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3kbz h LEU 34 CO 0.01 0.91 0.22 0.78 0.09 0.00 0.00 178.44 180.45 3kbz h ASN 35 N 0.73 1.05 -0.39 -0.43 -0.26 -1.03 0.89 115.58 116.14 3kbz h ASN 35 Ca 0.12 -0.21 -0.12 0.00 -0.56 0.00 0.00 56.30 55.54 3kbz h ASN 35 Cb 0.58 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 3kbz h ASN 35 CO 0.04 0.98 -0.19 0.28 -1.06 0.00 0.00 177.43 177.48 3kbz h SER 36 N 1.06 0.89 -0.54 5.81 0.02 -0.98 -1.68 113.55 118.12 3kbz h SER 36 Ca 0.23 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3kbz h SER 36 Cb 0.31 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3kbz h SER 36 CO -0.01 1.05 0.06 0.25 -1.14 0.00 0.00 176.83 177.05 3kbz h LEU 37 N 0.77 0.88 -0.35 5.07 5.85 -0.70 -1.38 115.31 125.45 3kbz h LEU 37 Ca 0.11 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3kbz h LEU 37 Cb 0.72 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3kbz h LEU 37 CO 0.06 0.94 0.12 0.00 -0.34 0.00 0.00 178.44 179.22 3kbz h THR 39 N 0.27 1.22 -0.80 0.00 2.02 -1.05 -2.22 112.91 112.35 3kbz h THR 39 Ca 0.16 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3kbz h THR 39 Cb 0.13 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3kbz h THR 39 CO -0.16 0.25 0.41 0.00 0.37 0.00 0.00 175.52 176.38 3kbz h ALA 40 N 1.19 1.03 -0.41 6.16 0.00 -0.61 -2.30 119.26 124.32 3kbz h ALA 40 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kbz h ALA 40 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kbz h ALA 40 CO -0.04 0.57 0.25 0.28 0.00 0.00 0.00 179.25 180.31 3kbz h VAL 41 N 1.12 1.13 -0.61 0.00 2.07 -0.67 0.36 116.25 119.65 3kbz h VAL 41 Ca 0.28 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3kbz h VAL 41 Cb 0.08 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3kbz h VAL 41 CO -0.04 0.13 0.28 0.11 0.02 0.00 0.00 177.57 178.07 3kbz h LYS 42 N 0.55 0.87 -0.49 1.57 1.57 -1.18 0.19 116.57 119.64 3kbz h LYS 42 Ca 0.15 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3kbz h LYS 42 Cb -0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3kbz h LYS 42 CO -0.03 0.69 -0.18 0.00 -0.57 0.00 0.00 179.45 179.35 3kbz h ALA 43 N 1.44 0.74 -0.25 3.86 0.00 -0.91 -1.07 119.26 123.08 3kbz h ALA 43 Ca 0.21 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3kbz h ALA 43 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kbz h ALA 43 CO -0.03 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.69 3kbz h ILE 44 N 0.85 1.27 -0.49 0.00 2.04 -0.27 -2.28 117.51 118.63 3kbz h ILE 44 Ca 0.12 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 65.05 3kbz h ILE 44 Cb 0.75 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 3kbz h ILE 44 CO 0.06 0.31 0.20 -1.28 0.00 0.00 0.00 178.15 177.44 3kbz h SER 45 N 0.21 0.25 -0.91 1.72 0.87 -0.52 0.23 113.55 115.39 3kbz h SER 45 Ca 0.07 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3kbz h SER 45 Cb 0.47 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.39 3kbz h SER 45 CO 0.02 0.17 0.60 -1.28 -0.53 0.00 0.00 176.83 175.81 3kbz h SER 46 N 0.40 1.01 0.12 6.23 0.87 -1.07 -0.62 113.55 120.49 3kbz h SER 46 Ca 0.23 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.60 3kbz h SER 46 Cb 0.20 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3kbz h SER 46 CO -0.20 0.71 -0.60 0.00 -0.53 0.00 0.00 176.83 176.20 3kbz h ALA 47 N 1.36 0.69 -0.57 6.23 0.00 -0.71 -2.43 119.26 123.83 3kbz h ALA 47 Ca 0.35 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3kbz h ALA 47 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kbz h ALA 47 CO -0.10 0.71 -0.04 0.28 0.00 0.00 0.00 179.25 180.10 3kbz h VAL 48 N 0.36 1.26 0.00 0.00 2.07 -0.04 -1.29 116.25 118.62 3kbz h VAL 48 Ca -0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3kbz h VAL 48 Cb 1.15 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3kbz h VAL 48 CO 0.11 0.42 0.00 0.54 0.02 0.00 0.00 177.57 178.66 3kbz n ARG 49 N -4.17 0.71 -2.67 1.57 3.00 -0.29 -4.87 116.66 109.95 3kbz n ARG 49 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.73 3kbz n ARG 49 Cb 0.36 -1.18 0.02 0.00 0.00 0.00 0.00 32.46 31.66 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 -0.68 -2.77 -1.81 5.56 4.76 -0.49 -4.98 118.16 117.75 3kbz n LYS 50 Ca 0.06 0.55 -0.42 0.00 -2.87 0.00 0.00 58.31 55.63 3kbz n LYS 50 Cb 0.03 -4.65 -0.02 0.00 -1.84 0.00 0.00 35.03 28.55 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 -2.89 3.76 0.00 7.82 0.00 -0.92 -2.06 121.76 127.47 3kbz s ALA 51 Ca 0.17 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3kbz s ALA 51 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3kbz s ALA 51 CO 0.21 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3kbz n GLY 52 N 2.54 0.59 0.32 0.00 0.00 -1.26 -4.88 105.19 102.50 3kbz n GLY 52 Ca 0.09 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.30 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 0.25 -0.64 -0.61 2.10 -1.82 -1.24 117.51 115.56 3kbz h ILE 53 Ca 0.00 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.96 3kbz h ILE 53 Cb 0.08 0.98 -0.03 0.00 -1.09 0.00 0.00 36.82 36.76 3kbz h ILE 53 CO 0.00 0.00 0.43 0.00 -1.08 0.00 0.00 178.15 177.50 3kbz h ALA 54 N 1.96 1.59 0.00 0.18 0.00 -1.90 -0.99 119.26 120.10 3kbz h ALA 54 Ca 0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3kbz h ALA 54 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kbz h ALA 54 CO -0.00 0.36 -0.43 0.45 0.00 0.00 0.00 179.25 179.63 3kbz h HIS 55 N 0.82 0.00 0.00 0.00 3.86 -1.63 -1.80 115.15 116.41 3kbz h HIS 55 Ca 0.25 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3kbz h HIS 55 Cb -0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 3kbz h HIS 55 CO -0.00 0.43 -0.10 1.25 0.86 0.00 0.00 177.93 180.37 3kbz h LEU 56 N 0.00 0.00 -3.19 2.43 5.85 -1.25 -3.01 115.31 116.14 3kbz h LEU 56 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kbz h LEU 56 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3kbz h LEU 56 CO 0.06 0.10 0.00 -1.22 -0.34 0.00 0.00 178.44 177.04 3kbz n TYR 57 N -3.23 1.54 -0.78 1.25 4.02 -0.72 -4.96 117.16 114.27 3kbz n TYR 57 Ca 0.01 -0.63 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 3kbz n TYR 57 Cb 0.38 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.03 0.57 0.33 2.72 0.00 -1.14 -4.96 105.19 103.74 3kbz n GLY 58 Ca 0.26 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 0.93 -0.53 -0.61 2.10 -1.65 -0.51 117.51 117.24 3kbz h ILE 59 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 3kbz h ILE 59 Cb 0.06 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 36.40 3kbz h ILE 59 CO 0.00 0.05 0.00 0.00 -1.08 0.00 0.00 178.15 177.12 3kbz n ALA 60 N -2.53 3.10 -0.42 0.18 0.00 -1.26 -5.08 120.51 114.50 3kbz n ALA 60 Ca 0.06 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.76 3kbz n ALA 60 Cb 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.66 0.76 3.92 0.00 0.00 -0.20 -5.21 105.19 105.12 3kbz n GLY 61 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 3kbz n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kbz s LYS 71 N -0.58 3.21 0.47 1.61 -2.85 -1.26 -4.74 119.74 115.59 3kbz s LYS 71 Ca 0.00 -0.91 -0.22 0.00 -1.00 0.00 0.00 55.97 53.84 3kbz s LYS 71 Cb 0.00 -2.76 -0.10 0.00 -2.06 0.00 0.00 37.83 32.91 3kbz s LYS 71 CO 0.00 0.36 0.90 1.17 0.10 0.00 0.00 175.35 177.88 3kbz n LYS 72 N -1.36 1.10 -0.25 1.78 4.81 -1.26 -4.70 118.16 118.28 3kbz n LYS 72 Ca -0.07 0.40 -0.00 0.00 -0.87 0.00 0.00 58.31 57.77 3kbz n LYS 72 Cb 0.58 -1.97 0.12 0.00 0.02 0.00 0.00 35.03 33.77 3kbz n LYS 72 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3kbz h LEU 73 N 1.15 0.57 -0.81 3.14 5.85 -1.98 -0.21 115.31 123.01 3kbz h LEU 73 Ca -0.45 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 3kbz h LEU 73 Cb 1.36 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 3kbz h LEU 73 CO 0.54 0.36 0.17 -2.24 -0.34 0.00 0.00 178.44 176.93 3kbz h ASP 74 N 0.71 1.00 -0.30 1.25 3.04 -1.94 0.64 116.42 120.81 3kbz h ASP 74 Ca 0.33 -0.20 -0.11 0.00 -3.24 0.00 0.00 57.03 53.81 3kbz h ASP 74 Cb 0.24 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.26 3kbz h ASP 74 CO -0.20 0.96 -0.22 0.58 -2.04 0.00 0.00 179.24 178.31 3kbz h VAL 75 N 1.01 1.30 -0.39 4.15 2.07 -1.76 -1.24 116.25 121.38 3kbz h VAL 75 Ca 0.21 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3kbz h VAL 75 Cb 0.35 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3kbz h VAL 75 CO 0.00 0.44 0.21 0.25 0.02 0.00 0.00 177.57 178.49 3kbz h LEU 76 N 0.43 0.49 -0.55 2.57 5.85 -0.82 0.17 115.31 123.45 3kbz h LEU 76 Ca 0.06 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3kbz h LEU 76 Cb 0.78 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3kbz h LEU 76 CO 0.06 0.44 0.35 0.28 -0.34 0.00 0.00 178.44 179.23 3kbz h SER 77 N 0.50 0.57 -0.56 1.25 0.02 -0.80 0.71 113.55 115.24 3kbz h SER 77 Ca 0.14 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3kbz h SER 77 Cb 0.06 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3kbz h SER 77 CO -0.02 0.41 0.31 -1.13 -1.14 0.00 0.00 176.83 175.26 3kbz h ASN 78 N 0.69 0.69 -0.44 3.07 -1.24 -0.87 -2.01 115.58 115.48 3kbz h ASN 78 Ca 0.22 -0.08 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 3kbz h ASN 78 Cb -0.01 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 3kbz h ASN 78 CO -0.08 0.58 0.27 0.44 -1.29 0.00 0.00 177.43 177.35 3kbz h ASP 79 N 0.75 0.52 0.09 1.15 3.32 -0.29 -0.63 116.42 121.32 3kbz h ASP 79 Ca 0.20 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3kbz h ASP 79 Cb 0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3kbz h ASP 79 CO -0.03 0.41 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.70 3kbz h LEU 80 N 0.58 -0.34 0.16 1.55 3.38 -0.60 0.65 115.31 120.69 3kbz h LEU 80 Ca 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3kbz h LEU 80 Cb -0.02 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kbz h LEU 80 CO -0.03 -0.19 -0.07 0.58 0.09 0.00 0.00 178.44 178.82 3kbz h VAL 81 N -0.25 0.88 -0.21 1.22 2.07 -1.29 -0.91 116.25 117.75 3kbz h VAL 81 Ca 0.02 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3kbz h VAL 81 Cb 0.26 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3kbz h VAL 81 CO -0.06 0.03 -0.20 0.24 0.02 0.00 0.00 177.57 177.60 3kbz h MET 82 N -0.28 -0.20 -0.45 1.57 2.86 -1.00 -0.03 114.93 117.40 3kbz h MET 82 Ca -0.02 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3kbz h MET 82 Cb 0.22 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3kbz h MET 82 CO 0.04 -0.14 0.12 -0.97 1.06 0.00 0.00 176.91 177.01 3kbz h ASN 83 N -0.21 0.69 -0.56 1.22 -0.73 -0.80 -0.62 115.58 114.56 3kbz h ASN 83 Ca 0.13 -0.23 -0.10 0.00 1.87 0.00 0.00 56.30 57.97 3kbz h ASN 83 Cb 0.40 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 3kbz h ASN 83 CO -0.34 0.74 -0.04 0.24 -0.37 0.00 0.00 177.43 177.65 3kbz h MET 84 N 0.60 1.04 -0.28 6.67 2.86 -0.92 -1.46 114.93 123.45 3kbz h MET 84 Ca 0.14 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 3kbz h MET 84 Cb 0.31 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3kbz h MET 84 CO 0.00 1.04 -0.18 -0.07 1.06 0.00 0.00 176.91 178.76 3kbz h LEU 85 N 0.94 0.64 -0.09 1.22 3.38 -0.91 -2.33 115.31 118.16 3kbz h LEU 85 Ca 0.16 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kbz h LEU 85 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3kbz h LEU 85 CO 0.04 0.93 0.05 0.11 0.09 0.00 0.00 178.44 179.66 3kbz h LYS 86 N 0.35 0.10 0.00 1.13 1.57 -1.06 -2.22 116.57 116.44 3kbz h LYS 86 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kbz h LYS 86 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3kbz h LYS 86 CO 0.05 0.07 0.00 -1.13 -0.57 0.00 0.00 179.45 177.87 3kbz n SER 87 N -5.04 0.00 0.15 0.86 3.41 -0.56 -2.35 113.62 110.09 3kbz n SER 87 Ca -0.05 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 3kbz n SER 87 Cb 0.03 -0.27 0.27 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.46 4.04 4.64 -0.82 -3.47 113.55 117.48 3kbz h SER 88 Ca 0.00 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3kbz h SER 88 Cb 0.12 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.13 3kbz h SER 88 CO 0.00 0.01 -0.18 0.49 -0.87 0.00 0.00 176.83 176.28 3kbz n PHE 89 N -2.64 0.00 0.58 4.77 3.72 -0.99 -4.77 117.46 118.13 3kbz n PHE 89 Ca 0.05 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.51 3kbz n PHE 89 Cb 0.48 -2.30 0.03 0.00 -0.94 0.00 0.00 39.48 36.75 3kbz n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kbz n ALA 90 N 1.18 2.74 -2.48 4.37 0.00 -1.26 -3.36 120.51 121.70 3kbz n ALA 90 Ca -0.10 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.56 3kbz n ALA 90 Cb 0.47 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 2.00 0.00 0.00 -4.23 -1.26 -1.04 115.64 109.70 3kbz s THR 91 Ca 0.14 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3kbz s THR 91 Cb 0.11 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3kbz s THR 91 CO 0.25 -0.29 0.00 0.00 -0.54 0.00 0.00 174.62 174.05 3kbz s VAL 93 N -1.19 0.46 -0.12 0.00 1.01 -1.25 -1.71 120.40 117.61 3kbz s VAL 93 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3kbz s VAL 93 Cb 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.89 3kbz s VAL 93 CO 0.00 0.21 -0.15 -0.76 0.00 0.00 0.00 175.10 174.41 3kbz s LEU 94 N 0.99 1.69 -0.19 3.92 1.43 -0.04 -1.62 118.68 124.87 3kbz s LEU 94 Ca -0.10 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3kbz s LEU 94 Cb -0.14 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 3kbz s LEU 94 CO -0.00 -0.01 -0.07 -0.69 0.23 0.00 0.00 176.35 175.80 3kbz s VAL 95 N 1.19 3.30 0.10 -1.59 1.01 0.19 -0.30 120.40 124.31 3kbz s VAL 95 Ca -0.02 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3kbz s VAL 95 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3kbz s VAL 95 CO -0.05 0.46 -0.17 -0.55 0.00 0.00 0.00 175.10 174.80 3kbz s SER 96 N 1.01 2.11 0.51 3.32 0.15 -1.26 -0.24 113.70 119.29 3kbz s SER 96 Ca -0.00 -0.71 0.22 0.00 0.70 0.00 0.00 55.95 56.16 3kbz s SER 96 Cb -0.15 -0.09 1.34 0.00 -1.71 0.00 0.00 66.02 65.42 3kbz s SER 96 CO -0.00 -0.05 2.08 -0.08 1.20 0.00 0.00 173.24 176.39 3kbz h GLU 97 N 3.92 0.00 0.00 5.44 4.22 -1.82 -2.60 114.58 123.75 3kbz h GLU 97 Ca -0.42 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 58.92 3kbz h GLU 97 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3kbz h GLU 97 CO 0.44 0.12 -0.46 0.93 -2.18 0.00 0.00 179.01 177.85 3kbz h GLU 98 N 0.00 0.00 -5.50 1.92 4.39 -1.95 -3.46 114.58 109.98 3kbz h GLU 98 Ca -0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 3kbz h GLU 98 Cb 0.25 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.71 3kbz h GLU 98 CO 0.02 0.46 -0.65 -0.51 -1.16 0.00 0.00 179.01 177.16 3kbz s ASP 99 N -6.43 4.93 0.21 1.42 1.01 -0.98 -5.02 116.67 111.81 3kbz s ASP 99 Ca 0.04 -0.05 -0.08 0.00 0.71 0.00 0.00 52.55 53.17 3kbz s ASP 99 Cb 0.08 -1.68 0.15 0.00 1.01 0.00 0.00 42.92 42.48 3kbz s ASP 99 CO 0.73 0.23 1.78 0.50 0.21 0.00 0.00 175.17 178.62 3kbz h LYS 100 N 6.29 1.18 -6.36 8.23 3.64 -1.88 -3.42 116.57 124.25 3kbz h LYS 100 Ca -0.37 -0.21 -0.63 0.00 -1.27 0.00 0.00 60.65 58.17 3kbz h LYS 100 Cb 1.19 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.70 3kbz h LYS 100 CO 0.61 0.96 -0.66 -1.01 -2.27 0.00 0.00 179.45 177.08 3kbz s HIS 101 N -5.56 2.92 0.31 1.91 3.76 -1.26 -4.99 115.29 112.39 3kbz s HIS 101 Ca -0.12 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 54.42 3kbz s HIS 101 Cb 0.16 -1.47 -0.10 0.00 1.11 0.00 0.00 32.58 32.27 3kbz s HIS 101 CO 0.84 0.49 1.39 0.00 -0.85 0.00 0.00 174.74 176.61 3kbz s ALA 102 N -1.47 3.56 0.01 -1.40 0.00 -1.26 -4.83 121.76 116.37 3kbz s ALA 102 Ca 0.26 1.34 -0.22 0.00 0.00 0.00 0.00 51.96 53.34 3kbz s ALA 102 Cb -0.11 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 3kbz s ALA 102 CO 0.18 -0.75 0.66 0.42 0.00 0.00 0.00 175.76 176.27 3kbz s ILE 103 N -0.70 4.85 -0.23 0.00 1.09 0.59 -4.91 121.20 121.89 3kbz s ILE 103 Ca 0.54 1.38 -0.06 0.00 -1.10 0.00 0.00 60.65 61.41 3kbz s ILE 103 Cb -0.42 -4.00 -0.02 0.00 -1.06 0.00 0.00 42.46 36.96 3kbz s ILE 103 CO 0.51 0.40 0.03 -0.63 -0.10 0.00 0.00 174.94 175.15 3kbz s ILE 104 N -0.14 4.03 0.30 2.92 -1.09 -1.26 -0.86 121.20 125.11 3kbz s ILE 104 Ca 0.34 -0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 58.19 3kbz s ILE 104 Cb -0.19 -2.86 -0.10 0.00 -1.58 0.00 0.00 42.46 37.73 3kbz s ILE 104 CO 0.19 0.38 1.36 -0.69 -1.23 0.00 0.00 174.94 174.95 3kbz s VAL 105 N 1.41 2.69 0.53 2.92 1.01 -0.69 -4.96 120.40 123.32 3kbz s VAL 105 Ca 0.05 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.45 3kbz s VAL 105 Cb -0.15 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3kbz s VAL 105 CO 0.02 0.14 1.37 -1.84 0.00 0.00 0.00 175.10 174.78 3kbz n GLU 106 N 1.35 1.79 -0.31 2.72 0.28 -1.26 -4.78 120.64 120.44 3kbz n GLU 106 Ca 0.02 0.65 0.14 0.00 -0.16 0.00 0.00 57.16 57.82 3kbz n GLU 106 Cb 0.41 -2.58 0.31 0.00 1.43 0.00 0.00 31.44 31.01 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 1.59 0.17 0.00 3.44 0.13 -1.99 -1.50 132.00 133.84 3kbz h PRO 107 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.58 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 3kbz n GLU 108 N -5.26 0.52 -0.04 0.86 1.02 -1.26 -2.62 120.64 113.87 3kbz n GLU 108 Ca 0.23 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.39 3kbz n GLU 108 Cb 0.73 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.03 1.51 -2.38 3.49 5.02 -0.57 -5.05 118.16 119.15 3kbz n LYS 109 Ca 0.13 -1.17 -0.41 0.00 -2.02 0.00 0.00 58.31 54.84 3kbz n LYS 109 Cb 0.07 -0.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.70 4.49 0.35 1.97 0.52 -1.08 -3.98 118.95 120.52 3kbz s ARG 110 Ca 0.03 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.10 3kbz s ARG 110 Cb 0.02 -3.25 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 3kbz s ARG 110 CO 0.00 -0.10 0.01 0.41 0.02 0.00 0.00 175.30 175.63 3kbz n GLY 111 N 2.32 3.74 0.75 -3.53 0.00 0.26 -4.75 105.19 103.99 3kbz n GLY 111 Ca 0.05 -2.31 0.11 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.87 1.98 -3.96 1.61 2.85 -1.11 -3.46 118.16 115.20 3kbz n LYS 112 Ca -0.14 -1.48 -0.31 0.00 -1.05 0.00 0.00 58.31 55.33 3kbz n LYS 112 Cb 0.45 -1.42 -0.05 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.68 3.40 -0.12 5.58 2.02 -0.21 -0.25 117.35 126.09 3kbz s TYR 113 Ca 0.34 0.19 0.01 0.00 -0.37 0.00 0.00 57.07 57.24 3kbz s TYR 113 Cb 0.19 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 3kbz s TYR 113 CO 0.27 0.57 -0.17 0.08 -1.57 0.00 0.00 175.55 174.73 3kbz s VAL 114 N -1.47 2.64 -0.09 0.71 1.01 0.89 -0.83 120.40 123.26 3kbz s VAL 114 Ca 0.33 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3kbz s VAL 114 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3kbz s VAL 114 CO 0.26 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 175.05 3kbz s VAL 115 N 0.40 1.47 -0.15 2.92 1.01 -0.64 -0.51 120.40 124.91 3kbz s VAL 115 Ca -0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3kbz s VAL 115 Cb -0.17 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3kbz s VAL 115 CO 0.06 0.43 -0.08 0.00 0.00 0.00 0.00 175.10 175.52 3kbz s PHE 117 N 0.41 -0.10 -0.33 0.00 -0.71 0.66 -0.68 117.98 117.24 3kbz s PHE 117 Ca -0.07 -0.24 0.03 0.00 -1.04 0.00 0.00 56.93 55.62 3kbz s PHE 117 Cb -0.15 0.24 0.09 0.00 -1.21 0.00 0.00 43.02 41.99 3kbz s PHE 117 CO 0.04 -0.75 0.03 0.34 -1.34 0.00 0.00 175.22 173.54 3kbz s ASP 118 N -2.84 4.75 0.24 1.98 -1.08 0.65 -2.08 116.67 118.29 3kbz s ASP 118 Ca 0.06 -2.00 -0.05 0.00 -0.52 0.00 0.00 52.55 50.04 3kbz s ASP 118 Cb 0.01 -1.63 0.44 0.00 -1.46 0.00 0.00 42.92 40.29 3kbz s ASP 118 CO -0.08 -0.36 1.73 1.55 0.52 0.00 0.00 175.17 178.53 3kbz h PRO 119 N 7.67 0.42 -2.11 4.34 0.13 -1.86 -1.48 132.00 139.11 3kbz h PRO 119 Ca -0.07 -0.03 -0.52 0.00 -0.87 0.00 0.00 66.00 64.51 3kbz h PRO 119 Cb 1.03 -0.09 -0.34 0.00 0.13 0.00 0.00 31.00 31.72 3kbz h PRO 119 CO 0.52 0.28 -0.91 -0.11 -0.23 0.00 0.00 178.00 177.55 3kbz n LEU 120 N -5.01 -0.94 -4.70 1.56 7.94 -1.24 -4.20 117.00 110.41 3kbz n LEU 120 Ca 0.14 -4.16 -0.42 0.00 -1.11 0.00 0.00 56.01 50.46 3kbz n LEU 120 Cb 0.40 0.59 -0.03 0.00 0.53 0.00 0.00 43.42 44.91 3kbz n LEU 120 CO 0.18 1.88 1.37 -0.62 -1.11 0.00 0.00 177.39 179.09 3kbz s ASP 121 N 0.11 6.50 0.00 1.96 2.15 0.78 -2.34 116.67 125.83 3kbz s ASP 121 Ca 0.33 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.97 3kbz s ASP 121 Cb 0.04 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 3kbz s ASP 121 CO -0.17 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.51 3kbz n GLY 122 N 4.03 0.65 0.00 2.66 0.00 -1.26 -1.47 105.19 109.79 3kbz n GLY 122 Ca 0.16 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.10 0.00 0.05 1.61 3.41 -0.99 -2.81 113.62 114.99 3kbz n SER 123 Ca 0.00 -0.79 -0.13 0.00 -0.26 0.00 0.00 58.87 57.69 3kbz n SER 123 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3kbz n SER 123 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kbz h SER 124 N 0.00 0.23 -0.73 4.04 0.02 -1.92 -3.30 113.55 111.89 3kbz h SER 124 Ca 0.00 -0.32 -0.39 0.00 -0.84 0.00 0.00 61.79 60.23 3kbz h SER 124 Cb 0.00 -0.08 -0.23 0.00 0.14 0.00 0.00 62.40 62.23 3kbz h SER 124 CO 0.00 1.27 0.34 0.59 -1.14 0.00 0.00 176.83 177.88 3kbz n ASN 125 N -3.36 3.48 0.23 3.07 5.03 -1.12 -4.57 115.26 118.01 3kbz n ASN 125 Ca -0.13 -3.70 0.15 0.00 0.87 0.00 0.00 54.58 51.78 3kbz n ASN 125 Cb 1.02 -0.76 0.57 0.00 -1.02 0.00 0.00 39.78 39.59 3kbz n ASN 125 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3kbz h ILE 126 N 1.03 0.00 -0.15 2.41 2.10 -1.65 -2.97 117.51 118.28 3kbz h ILE 126 Ca 0.47 -0.50 0.04 0.00 1.08 0.00 0.00 64.86 65.95 3kbz h ILE 126 Cb 2.24 1.44 -0.01 0.00 -1.09 0.00 0.00 36.82 39.40 3kbz h ILE 126 CO 0.84 0.00 0.11 0.44 -1.08 0.00 0.00 178.15 178.47 3kbz h ASP 127 N 0.00 0.00 -0.44 2.19 3.32 -1.87 0.98 116.42 120.59 3kbz h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kbz h ASP 127 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3kbz h ASP 127 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3kbz n LEU 129 N 1.01 -1.65 -4.75 0.00 4.77 0.34 -4.97 117.00 111.74 3kbz n LEU 129 Ca 0.18 0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.95 3kbz n LEU 129 Cb 0.46 -2.60 0.04 0.00 -2.33 0.00 0.00 43.42 38.99 3kbz n LEU 129 CO 0.13 -0.46 0.81 0.54 -1.33 0.00 0.00 177.39 177.08 3kbz s VAL 130 N -2.83 2.73 0.43 4.08 0.11 -1.25 -4.93 120.40 118.75 3kbz s VAL 130 Ca 0.00 0.42 -0.25 0.00 -2.93 0.00 0.00 61.98 59.22 3kbz s VAL 130 Cb 0.00 -3.08 -0.10 0.00 -1.53 0.00 0.00 36.38 31.67 3kbz s VAL 130 CO 0.00 -0.13 1.17 -1.20 -3.33 0.00 0.00 175.10 171.61 3kbz n SER 131 N -1.89 2.05 -4.34 3.54 7.64 -1.26 -4.82 113.62 114.55 3kbz n SER 131 Ca 0.13 1.07 -0.17 0.00 1.01 0.00 0.00 58.87 60.91 3kbz n SER 131 Cb 0.50 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 62.15 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 -1.23 0.75 0.35 0.44 -7.23 -1.22 -4.77 120.40 107.48 3kbz s VAL 132 Ca 0.62 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.62 3kbz s VAL 132 Cb -0.52 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 33.88 3kbz s VAL 132 CO 0.57 -0.08 0.83 -0.83 -0.31 0.00 0.00 175.10 175.28 3kbz s GLY 133 N -3.34 0.30 -0.13 2.32 0.00 -0.54 -0.58 107.32 105.35 3kbz s GLY 133 Ca 0.35 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.44 3kbz s GLY 133 CO 0.13 0.15 -0.20 -1.59 0.00 0.00 0.00 173.10 171.59 3kbz s THR 134 N -2.37 1.87 -0.05 0.90 2.01 -0.49 0.27 115.64 117.78 3kbz s THR 134 Ca 0.16 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.33 3kbz s THR 134 Cb -0.05 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3kbz s THR 134 CO 0.10 0.51 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.78 3kbz s ILE 135 N 0.89 3.17 0.03 1.82 1.01 -0.56 -0.68 121.20 126.88 3kbz s ILE 135 Ca -0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3kbz s ILE 135 Cb -0.15 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3kbz s ILE 135 CO -0.02 0.59 0.20 0.72 0.00 0.00 0.00 174.94 176.43 3kbz s PHE 136 N -0.73 0.02 -0.02 3.97 -0.71 -0.69 -0.25 117.98 119.58 3kbz s PHE 136 Ca 0.11 -0.18 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 3kbz s PHE 136 Cb -0.11 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.71 3kbz s PHE 136 CO 0.01 -0.40 0.02 0.20 -1.34 0.00 0.00 175.22 173.71 3kbz s GLY 137 N -1.85 0.09 -0.15 1.99 0.00 0.15 -1.91 107.32 105.64 3kbz s GLY 137 Ca -0.08 0.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.88 3kbz s GLY 137 CO -0.02 0.57 -0.13 -0.42 0.00 0.00 0.00 173.10 173.10 3kbz s ILE 138 N 0.88 2.91 0.21 0.90 1.01 0.10 -1.58 121.20 125.63 3kbz s ILE 138 Ca -0.07 -0.70 0.11 0.00 0.00 0.00 0.00 60.65 59.98 3kbz s ILE 138 Cb -0.11 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3kbz s ILE 138 CO -0.02 0.51 -0.21 -0.31 0.00 0.00 0.00 174.94 174.91 3kbz s TYR 139 N 0.63 2.13 -0.17 3.97 2.02 0.34 -0.71 117.35 125.57 3kbz s TYR 139 Ca -0.07 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.10 3kbz s TYR 139 Cb -0.16 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.34 3kbz s TYR 139 CO 0.03 0.50 0.28 0.50 -1.57 0.00 0.00 175.55 175.29 3kbz s ARG 140 N -2.96 4.25 0.08 -0.62 3.52 -1.26 -0.08 118.95 121.88 3kbz s ARG 140 Ca 0.22 0.07 -0.32 0.00 -0.13 0.00 0.00 55.73 55.57 3kbz s ARG 140 Cb -0.06 -3.43 -0.11 0.00 -1.56 0.00 0.00 34.95 29.79 3kbz s ARG 140 CO 0.10 0.23 1.83 1.17 -0.81 0.00 0.00 175.30 177.82 3kbz n LYS 141 N 3.61 2.62 -0.09 5.12 4.81 0.65 -4.86 118.16 130.02 3kbz n LYS 141 Ca -0.12 0.95 -0.15 0.00 -0.87 0.00 0.00 58.31 58.12 3kbz n LYS 141 Cb 0.52 -2.83 -0.07 0.00 0.02 0.00 0.00 35.03 32.66 3kbz n LYS 141 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3kbz n LYS 142 N 5.75 0.52 -2.03 1.64 4.81 -1.26 -4.97 118.16 122.62 3kbz n LYS 142 Ca 0.19 0.55 -0.33 0.00 -0.87 0.00 0.00 58.31 57.85 3kbz n LYS 142 Cb 0.35 -1.72 0.01 0.00 0.02 0.00 0.00 35.03 33.70 3kbz n LYS 142 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kbz s SER 143 N -6.42 5.67 0.00 3.14 0.15 -1.26 -4.98 113.70 110.01 3kbz s SER 143 Ca -0.23 1.89 0.24 0.00 0.70 0.00 0.00 55.95 58.54 3kbz s SER 143 Cb 0.05 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 62.03 3kbz s SER 143 CO 0.44 -1.24 1.24 0.35 1.20 0.00 0.00 173.24 175.22 3kbz n THR 144 N -1.99 0.00 -0.88 6.45 -2.24 -1.26 -4.96 114.28 109.40 3kbz n THR 144 Ca 0.09 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 3kbz n THR 144 Cb 0.52 1.10 0.17 0.00 -2.10 0.00 0.00 70.33 70.02 3kbz n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kbz s ASP 145 N -2.38 2.87 0.26 3.42 -0.00 -1.26 -4.90 116.67 114.68 3kbz s ASP 145 Ca 0.22 1.81 -0.29 0.00 -0.00 0.00 0.00 52.55 54.29 3kbz s ASP 145 Cb 0.19 -2.40 -0.14 0.00 -0.00 0.00 0.00 42.92 40.56 3kbz s ASP 145 CO 0.51 -3.07 1.02 -0.62 -0.00 0.00 0.00 175.17 173.01 3kbz n GLU 146 N -4.19 1.28 -1.64 8.23 -0.58 -1.26 -4.81 120.64 117.67 3kbz n GLU 146 Ca 0.08 0.45 -0.46 0.00 -0.42 0.00 0.00 57.16 56.81 3kbz n GLU 146 Cb 0.53 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 3kbz n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3kbz n PRO 147 N 0.94 1.72 -3.97 3.49 -0.04 -1.26 -4.97 135.00 130.90 3kbz n PRO 147 Ca 0.11 0.61 -0.12 0.00 -0.04 0.00 0.00 63.50 64.06 3kbz n PRO 147 Cb 0.30 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 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 0.18 0.51 0.57 3.54 1.04 -1.26 -5.01 113.70 113.26 3kbz s SER 148 Ca 0.70 -1.31 0.26 0.00 0.48 0.00 0.00 55.95 56.07 3kbz s SER 148 Cb -0.72 0.73 1.62 0.00 0.10 0.00 0.00 66.02 67.75 3kbz s SER 148 CO 0.51 -1.44 2.16 1.05 0.98 0.00 0.00 173.24 176.50 3kbz h GLU 149 N 2.07 0.00 -0.19 4.02 4.11 -1.93 -1.75 114.58 120.91 3kbz h GLU 149 Ca -0.29 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.19 3kbz h GLU 149 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3kbz h GLU 149 CO 0.39 0.00 0.14 0.87 0.07 0.00 0.00 179.01 180.47 3kbz h LYS 150 N 0.00 0.02 0.00 1.06 1.57 -1.96 -1.53 116.57 115.73 3kbz h LYS 150 Ca 0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kbz h LYS 150 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kbz h LYS 150 CO -0.00 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 3kbz n ASP 151 N -4.49 0.53 -0.94 0.86 8.00 -0.66 -1.77 116.55 118.09 3kbz n ASP 151 Ca 0.01 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.28 3kbz n ASP 151 Cb 0.26 -0.75 0.19 0.00 -0.02 0.00 0.00 41.12 40.79 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 -1.72 2.46 -2.05 2.24 0.00 -0.57 -4.51 120.51 116.35 3kbz n ALA 152 Ca 0.02 -0.74 -0.37 0.00 0.00 0.00 0.00 53.44 52.35 3kbz n ALA 152 Cb 0.19 -0.88 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 1.22 7.37 -4.60 0.00 4.77 -0.73 -4.95 117.00 120.09 3kbz n LEU 153 Ca 0.16 -4.84 -0.31 0.00 -0.03 0.00 0.00 56.01 51.00 3kbz n LEU 153 Cb 0.56 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 3kbz n LEU 153 CO 0.15 1.91 -0.39 -1.10 -1.33 0.00 0.00 177.39 176.63 3kbz s GLN 154 N -2.95 2.38 0.42 3.23 -0.21 -1.26 -4.63 119.66 116.63 3kbz s GLN 154 Ca 0.50 -0.87 -0.25 0.00 0.02 0.00 0.00 55.36 54.77 3kbz s GLN 154 Cb 0.30 -2.43 -0.08 0.00 1.00 0.00 0.00 33.01 31.80 3kbz s GLN 154 CO -0.22 0.55 1.19 -1.25 -2.12 0.00 0.00 175.29 173.45 3kbz s PRO 155 N -1.90 3.96 0.60 2.91 0.04 -1.26 -4.72 135.00 134.64 3kbz s PRO 155 Ca 0.20 1.88 0.21 0.00 0.04 0.00 0.00 61.00 63.34 3kbz s PRO 155 Cb -0.11 -2.63 1.13 0.00 0.04 0.00 0.00 34.50 32.93 3kbz s PRO 155 CO 0.12 -0.41 1.61 0.78 0.04 0.00 0.00 177.00 179.14 3kbz h GLY 156 N 2.51 0.00 2.00 0.56 0.00 -1.63 0.84 103.07 107.34 3kbz h GLY 156 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3kbz h GLY 156 CO 0.62 0.00 -0.03 -0.09 0.00 0.00 0.00 176.54 177.04 3kbz h ARG 157 N 0.00 0.00 -0.01 4.80 9.65 -1.41 -1.66 114.38 125.75 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 0.94 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 3kbz h ARG 157 CO 0.00 0.03 -0.10 0.09 2.80 0.00 0.00 179.97 182.78 3kbz n ASN 158 N -3.49 0.83 -4.65 -3.80 3.02 0.29 -4.95 115.26 102.51 3kbz n ASN 158 Ca -0.02 -0.95 -0.45 0.00 -0.03 0.00 0.00 54.58 53.13 3kbz n ASN 158 Cb 0.13 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 3kbz n ASN 158 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kbz n LEU 159 N -0.58 2.75 -0.04 3.41 4.77 -0.63 -4.65 117.00 122.04 3kbz n LEU 159 Ca 0.16 1.17 -0.03 0.00 -0.03 0.00 0.00 56.01 57.28 3kbz n LEU 159 Cb 0.30 -1.39 -0.14 0.00 -2.33 0.00 0.00 43.42 39.86 3kbz n LEU 159 CO 0.22 -0.79 -0.82 0.52 -1.33 0.00 0.00 177.39 175.19 3kbz n VAL 160 N 1.01 1.06 -3.57 4.08 0.31 0.11 -4.99 118.33 116.35 3kbz n VAL 160 Ca 0.09 -0.74 -0.10 0.00 -0.01 0.00 0.00 64.34 63.59 3kbz n VAL 160 Cb 0.32 -0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 32.73 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 -2.82 -1.93 0.18 3.52 0.00 -1.19 -4.48 121.76 115.04 3kbz s ALA 161 Ca -0.07 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.16 3kbz s ALA 161 Cb 0.09 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.74 3kbz s ALA 161 CO 0.84 -0.38 0.76 0.00 0.00 0.00 0.00 175.76 176.99 3kbz s ALA 162 N -1.48 -1.50 0.00 0.00 0.00 -0.51 0.01 121.76 118.29 3kbz s ALA 162 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3kbz s ALA 162 Cb -0.01 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3kbz s ALA 162 CO -0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.24 3kbz n GLY 163 N -0.41 -0.77 3.71 0.00 0.00 -0.80 0.43 105.19 107.36 3kbz n GLY 163 Ca -0.09 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.30 -0.11 1.61 1.13 -0.44 -1.71 117.35 114.53 3kbz s TYR 164 Ca 0.00 -0.07 0.03 0.00 -1.41 0.00 0.00 57.07 55.62 3kbz s TYR 164 Cb 0.00 0.66 0.00 0.00 -1.10 0.00 0.00 41.96 41.52 3kbz s TYR 164 CO 0.00 -1.10 -0.23 0.00 -2.51 0.00 0.00 175.55 171.71 3kbz s ALA 165 N -3.85 2.13 -0.21 9.51 0.00 0.14 -0.17 121.76 129.32 3kbz s ALA 165 Ca 0.08 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 3kbz s ALA 165 Cb -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3kbz s ALA 165 CO 0.00 0.19 0.01 -1.17 0.00 0.00 0.00 175.76 174.80 3kbz s LEU 166 N 0.50 3.29 -1.03 0.00 2.96 0.11 -1.39 118.68 123.11 3kbz s LEU 166 Ca -0.15 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3kbz s LEU 166 Cb -0.17 -1.84 0.28 0.00 0.50 0.00 0.00 46.19 44.95 3kbz s LEU 166 CO 0.06 0.05 1.18 -1.22 -1.32 0.00 0.00 176.35 175.09 3kbz n TYR 167 N 4.37 3.81 0.00 5.38 4.01 0.26 -1.57 117.16 133.42 3kbz n TYR 167 Ca -0.17 -3.45 0.00 0.00 -0.16 0.00 0.00 57.90 54.12 3kbz n TYR 167 Cb 0.52 -1.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.19 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 1.94 2.09 0.37 2.72 0.00 -1.26 -3.41 105.19 107.65 3kbz n GLY 168 Ca 0.25 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.54 -5.52 1.61 4.64 -2.00 -3.42 113.55 109.40 3kbz h SER 169 Ca 0.00 0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 3kbz h SER 169 Cb 0.00 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 61.86 3kbz h SER 169 CO 0.00 0.28 -0.62 0.00 -0.87 0.00 0.00 176.83 175.61 3kbz s ALA 170 N -5.56 1.03 -0.21 5.18 0.00 -1.26 -5.14 121.76 115.79 3kbz s ALA 170 Ca -0.09 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 3kbz s ALA 170 Cb 0.21 1.18 -0.05 0.00 0.00 0.00 0.00 23.12 24.47 3kbz s ALA 170 CO 0.78 -0.55 0.17 0.99 0.00 0.00 0.00 175.76 177.14 3kbz s THR 171 N -4.11 5.37 0.01 0.00 2.01 -1.26 -4.49 115.64 113.17 3kbz s THR 171 Ca 0.33 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.60 3kbz s THR 171 Cb 0.07 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 3kbz s THR 171 CO 0.08 0.39 -0.09 -0.32 -0.69 0.00 0.00 174.62 173.99 3kbz s MET 172 N 0.69 0.68 -0.19 4.92 -2.45 -0.61 -0.70 119.30 121.65 3kbz s MET 172 Ca 0.09 -0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 54.07 3kbz s MET 172 Cb -0.12 -0.64 -0.00 0.00 1.25 0.00 0.00 34.83 35.32 3kbz s MET 172 CO 0.02 0.17 -0.10 -1.17 1.05 0.00 0.00 175.02 174.98 3kbz s LEU 173 N -0.56 2.64 -0.28 4.11 0.20 0.34 0.05 118.68 125.18 3kbz s LEU 173 Ca 0.01 -0.45 -0.09 0.00 0.69 0.00 0.00 54.13 54.28 3kbz s LEU 173 Cb -0.05 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 3kbz s LEU 173 CO 0.00 0.02 0.14 -0.69 -0.29 0.00 0.00 176.35 175.53 3kbz s VAL 174 N 1.21 4.78 -0.16 1.68 1.01 0.76 -0.79 120.40 128.89 3kbz s VAL 174 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3kbz s VAL 174 Cb -0.14 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3kbz s VAL 174 CO -0.04 0.24 -0.17 -0.22 0.00 0.00 0.00 175.10 174.90 3kbz s LEU 175 N 1.67 2.34 -0.09 3.92 2.96 -0.55 -1.33 118.68 127.60 3kbz s LEU 175 Ca 0.06 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3kbz s LEU 175 Cb -0.16 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3kbz s LEU 175 CO 0.07 0.06 -0.12 0.00 -1.32 0.00 0.00 176.35 175.03 3kbz s ALA 176 N 0.98 2.70 0.28 5.97 0.00 0.17 -1.44 121.76 130.41 3kbz s ALA 176 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.02 3kbz s ALA 176 Cb -0.15 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 3kbz s ALA 176 CO -0.04 0.40 0.34 -1.33 0.00 0.00 0.00 175.76 175.13 3kbz n MET 177 N 2.93 0.50 -0.24 0.00 2.81 -0.51 -1.42 117.12 121.18 3kbz n MET 177 Ca -0.18 -2.34 0.12 0.00 -1.81 0.00 0.00 57.70 53.49 3kbz n MET 177 Cb 0.53 2.16 0.39 0.00 -0.71 0.00 0.00 33.22 35.58 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 1.59 0.62 0.36 7.83 3.32 -1.94 -0.21 116.42 127.98 3kbz h ASP 178 Ca -0.21 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3kbz h ASP 178 Cb 0.95 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3kbz h ASP 178 CO 0.29 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 3kbz n GLY 180 N -0.09 0.43 3.41 0.00 0.00 -0.09 -4.92 105.19 103.92 3kbz n GLY 180 Ca 0.05 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.25 3.38 -0.03 1.61 1.01 -1.26 -1.43 120.40 123.43 3kbz s VAL 181 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3kbz s VAL 181 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3kbz s VAL 181 CO 0.00 0.50 -0.15 0.20 0.00 0.00 0.00 175.10 175.65 3kbz s ASN 182 N 0.46 1.85 -0.19 3.32 -0.87 -0.52 -0.56 114.94 118.42 3kbz s ASN 182 Ca -0.07 -0.29 -0.06 0.00 -1.57 0.00 0.00 52.86 50.87 3kbz s ASN 182 Cb -0.15 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.25 40.64 3kbz s ASN 182 CO 0.04 0.15 0.02 0.00 -2.57 0.00 0.00 177.10 174.73 3kbz s PHE 184 N 0.72 2.60 -0.18 0.00 0.40 0.03 -1.38 117.98 120.17 3kbz s PHE 184 Ca 0.01 -0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 55.64 3kbz s PHE 184 Cb -0.14 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.67 3kbz s PHE 184 CO 0.02 -0.14 0.13 1.41 0.70 0.00 0.00 175.22 177.34 3kbz s MET 185 N -0.12 4.04 -0.21 0.44 1.75 0.19 -0.50 119.30 124.88 3kbz s MET 185 Ca -0.03 -0.21 -0.28 0.00 -1.25 0.00 0.00 55.69 53.92 3kbz s MET 185 Cb -0.14 -3.36 0.00 0.00 2.84 0.00 0.00 34.83 34.17 3kbz s MET 185 CO 0.04 0.38 0.97 -1.17 -0.65 0.00 0.00 175.02 174.59 3kbz s LEU 186 N 0.11 4.12 -0.53 4.11 2.96 0.12 0.49 118.68 130.06 3kbz s LEU 186 Ca 0.09 1.29 -0.19 0.00 -0.22 0.00 0.00 54.13 55.10 3kbz s LEU 186 Cb -0.11 -3.43 0.07 0.00 0.50 0.00 0.00 46.19 43.22 3kbz s LEU 186 CO -0.01 -0.59 0.65 -0.62 -1.32 0.00 0.00 176.35 174.47 3kbz s ASP 187 N 1.22 6.21 0.60 3.68 -1.08 0.30 -4.66 116.67 122.93 3kbz s ASP 187 Ca 0.42 -1.04 0.30 0.00 -0.52 0.00 0.00 52.55 51.71 3kbz s ASP 187 Cb -0.16 -2.29 1.79 0.00 -1.46 0.00 0.00 42.92 40.80 3kbz s ASP 187 CO 0.08 -0.96 2.19 1.55 0.52 0.00 0.00 175.17 178.55 3kbz h PRO 188 N 9.05 0.00 -0.20 4.34 0.13 -1.94 0.92 132.00 144.30 3kbz h PRO 188 Ca -0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 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 1.00 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.66 3kbz h ALA 189 N 1.88 1.45 0.00 -0.56 0.00 -1.97 -3.28 119.26 116.78 3kbz h ALA 189 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kbz h ALA 189 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kbz h ALA 189 CO -0.00 0.38 0.00 0.44 0.00 0.00 0.00 179.25 180.07 3kbz n ILE 190 N -4.26 0.40 -3.66 0.00 -5.35 -0.95 -5.03 119.36 100.51 3kbz n ILE 190 Ca -0.00 -0.50 -0.24 0.00 -0.27 0.00 0.00 62.75 61.74 3kbz n ILE 190 Cb 0.27 0.93 0.04 0.00 -1.74 0.00 0.00 39.64 39.14 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 -0.20 -0.60 2.91 3.28 0.00 0.28 -5.00 105.19 105.86 3kbz n GLY 191 Ca 0.00 0.28 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 3kbz n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kbz s GLU 192 N -5.83 0.35 -0.44 1.61 2.56 -1.17 -4.97 118.70 110.82 3kbz s GLU 192 Ca 0.20 -0.09 -0.24 0.00 0.00 0.00 0.00 54.97 54.84 3kbz s GLU 192 Cb -0.06 -0.38 0.02 0.00 2.00 0.00 0.00 34.13 35.72 3kbz s GLU 192 CO 0.82 0.03 0.81 -0.06 -0.56 0.00 0.00 175.26 176.30 3kbz s PHE 193 N 0.21 3.00 -0.15 5.30 0.08 -1.26 -0.54 117.98 124.62 3kbz s PHE 193 Ca -0.02 0.28 -0.14 0.00 0.12 0.00 0.00 56.93 57.17 3kbz s PHE 193 Cb -0.05 -3.67 -0.05 0.00 -0.57 0.00 0.00 43.02 38.69 3kbz s PHE 193 CO -0.00 -0.96 0.32 0.42 -0.10 0.00 0.00 175.22 174.90 3kbz s ILE 194 N 3.34 5.29 -0.16 0.64 -1.09 0.18 -1.41 121.20 127.98 3kbz s ILE 194 Ca 0.31 0.60 -0.29 0.00 -2.23 0.00 0.00 60.65 59.05 3kbz s ILE 194 Cb -0.12 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3kbz s ILE 194 CO 0.22 0.38 1.60 -0.22 -1.23 0.00 0.00 174.94 175.70 3kbz s LEU 195 N 0.47 4.06 -0.00 2.97 2.96 -0.50 0.53 118.68 129.16 3kbz s LEU 195 Ca 0.18 1.84 0.01 0.00 -0.22 0.00 0.00 54.13 55.94 3kbz s LEU 195 Cb -0.13 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3kbz s LEU 195 CO 0.05 -1.11 0.04 1.33 -1.32 0.00 0.00 176.35 175.34 3kbz n VAL 196 N 6.02 0.00 -3.49 1.68 0.24 -0.48 -4.75 118.33 117.55 3kbz n VAL 196 Ca 0.18 -0.36 -0.19 0.00 -2.04 0.00 0.00 64.34 61.93 3kbz n VAL 196 Cb 0.44 0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.37 1.58 0.04 -1.34 1.01 -1.12 -5.02 116.67 110.45 3kbz s ASP 197 Ca 0.00 -0.35 -0.13 0.00 0.71 0.00 0.00 52.55 52.78 3kbz s ASP 197 Cb 0.01 0.31 -0.06 0.00 1.01 0.00 0.00 42.92 44.19 3kbz s ASP 197 CO 0.05 -0.34 0.42 -0.54 0.21 0.00 0.00 175.17 174.96 3kbz s LYS 198 N 2.30 3.86 -1.08 8.23 1.02 -1.26 -1.25 119.74 131.57 3kbz s LYS 198 Ca 0.07 0.33 -0.27 0.00 0.02 0.00 0.00 55.97 56.12 3kbz s LYS 198 Cb -0.16 -3.12 0.04 0.00 -0.52 0.00 0.00 37.83 34.07 3kbz s LYS 198 CO -0.15 0.63 0.63 -3.47 -0.92 0.00 0.00 175.35 172.07 3kbz n ASP 199 N 1.41 -4.03 -4.77 2.83 2.03 -1.01 -4.85 116.55 108.17 3kbz n ASP 199 Ca -0.11 -1.19 -0.40 0.00 0.52 0.00 0.00 54.79 53.62 3kbz n ASP 199 Cb 0.52 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.39 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 -3.46 3.17 -0.04 5.18 1.01 0.27 -4.87 120.40 121.66 3kbz s VAL 200 Ca 0.37 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.49 3kbz s VAL 200 Cb -0.21 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3kbz s VAL 200 CO 0.91 0.22 -0.12 -0.54 0.00 0.00 0.00 175.10 175.57 3kbz s LYS 201 N -1.81 1.42 0.49 2.72 -0.14 -1.26 -4.46 119.74 116.69 3kbz s LYS 201 Ca 0.49 -0.41 -0.20 0.00 -1.36 0.00 0.00 55.97 54.50 3kbz s LYS 201 Cb -0.34 -1.24 -0.08 0.00 -1.68 0.00 0.00 37.83 34.49 3kbz s LYS 201 CO 0.44 0.11 1.02 -1.50 -0.76 0.00 0.00 175.35 174.65 3kbz s ILE 202 N 0.35 3.94 0.55 2.17 2.07 -0.03 -4.99 121.20 125.26 3kbz s ILE 202 Ca -0.08 1.17 -0.21 0.00 -1.41 0.00 0.00 60.65 60.12 3kbz s ILE 202 Cb -0.12 -3.48 -0.05 0.00 0.13 0.00 0.00 42.46 38.94 3kbz s ILE 202 CO 0.02 -0.30 1.30 0.29 -1.91 0.00 0.00 174.94 174.34 3kbz n LYS 203 N -1.03 1.55 -0.34 3.50 5.02 -1.26 -4.88 118.16 120.72 3kbz n LYS 203 Ca 0.09 0.57 -0.02 0.00 -2.02 0.00 0.00 58.31 56.93 3kbz n LYS 203 Cb 0.53 -2.51 0.10 0.00 -0.02 0.00 0.00 35.03 33.13 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 1.27 1.17 -3.22 1.97 3.64 -1.94 -3.40 116.57 116.06 3kbz h LYS 204 Ca -0.50 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 58.62 3kbz h LYS 204 Cb 1.31 -0.26 -0.28 0.00 -0.41 0.00 0.00 32.23 32.59 3kbz h LYS 204 CO 0.56 0.78 -0.50 0.21 -2.27 0.00 0.00 179.45 178.22 3kbz s LYS 205 N -6.12 0.20 0.13 1.90 2.20 -1.26 -2.08 119.74 114.71 3kbz s LYS 205 Ca -0.13 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 3kbz s LYS 205 Cb 0.17 0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 3kbz s LYS 205 CO 0.80 -0.07 0.10 0.41 -0.36 0.00 0.00 175.35 176.23 3kbz n GLY 206 N 3.39 2.97 0.64 5.54 0.00 -1.26 -4.75 105.19 111.72 3kbz n GLY 206 Ca -0.17 -2.20 0.04 0.00 0.00 0.00 0.00 46.02 43.69 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 0.51 -4.03 1.61 5.02 -1.26 -4.75 118.16 114.46 3kbz n LYS 207 Ca -0.00 -1.91 -0.16 0.00 -2.02 0.00 0.00 58.31 54.22 3kbz n LYS 207 Cb 0.15 -0.77 -0.15 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.11 0.27 0.02 -0.18 -1.09 -1.26 -0.35 121.20 117.49 3kbz s ILE 208 Ca 0.20 -0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.65 3kbz s ILE 208 Cb 0.20 -0.29 -0.03 0.00 -1.58 0.00 0.00 42.46 40.77 3kbz s ILE 208 CO -0.04 0.12 -0.25 -0.72 -1.23 0.00 0.00 174.94 172.82 3kbz s TYR 209 N 0.47 2.37 -0.08 3.97 1.13 -0.69 -1.26 117.35 123.26 3kbz s TYR 209 Ca -0.05 -0.39 -0.00 0.00 -1.41 0.00 0.00 57.07 55.22 3kbz s TYR 209 Cb -0.08 -1.45 0.02 0.00 -1.10 0.00 0.00 41.96 39.36 3kbz s TYR 209 CO -0.01 0.08 -0.04 0.45 -2.51 0.00 0.00 175.55 173.53 3kbz s SER 210 N -1.01 1.60 -0.20 -0.18 0.15 0.42 -2.98 113.70 111.50 3kbz s SER 210 Ca 0.11 -0.17 -0.35 0.00 0.70 0.00 0.00 55.95 56.25 3kbz s SER 210 Cb -0.10 -0.57 0.14 0.00 -1.71 0.00 0.00 66.02 63.78 3kbz s SER 210 CO 0.01 -0.13 1.21 -1.48 1.20 0.00 0.00 173.24 174.06 3kbz s LEU 211 N 1.56 -0.13 -0.69 3.45 2.34 -1.26 0.25 118.68 124.20 3kbz s LEU 211 Ca -0.00 0.01 -0.27 0.00 0.06 0.00 0.00 54.13 53.93 3kbz s LEU 211 Cb -0.13 1.37 0.03 0.00 -0.56 0.00 0.00 46.19 46.90 3kbz s LEU 211 CO -0.04 -0.22 1.29 0.21 -1.06 0.00 0.00 176.35 176.53 3kbz s ASN 212 N -2.08 6.20 0.00 1.48 3.84 -1.26 -4.85 114.94 118.26 3kbz s ASN 212 Ca 0.09 -0.25 0.26 0.00 0.21 0.00 0.00 52.86 53.17 3kbz s ASN 212 Cb -0.01 -2.56 1.47 0.00 -0.55 0.00 0.00 41.25 39.60 3kbz s ASN 212 CO -0.05 -1.77 1.91 -0.62 -2.79 0.00 0.00 177.10 173.79 3kbz n GLU 213 N 9.11 0.64 0.14 0.43 1.02 -1.26 -2.86 120.64 127.86 3kbz n GLU 213 Ca 0.05 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 3kbz n GLU 213 Cb 0.49 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 30.93 3kbz n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kbz n GLY 214 N 0.76 -1.19 0.69 0.62 0.00 -1.26 -1.29 105.19 103.51 3kbz n GLY 214 Ca 0.17 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.40 3kbz n GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kbz n TYR 215 N -2.25 0.28 -0.35 1.61 4.01 -1.14 -4.56 117.16 114.76 3kbz n TYR 215 Ca 0.01 -0.14 0.05 0.00 -0.16 0.00 0.00 57.90 57.66 3kbz n TYR 215 Cb 0.19 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3kbz n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kbz n ALA 216 N 0.58 0.19 -0.27 -0.72 0.00 -0.41 -0.14 120.51 119.74 3kbz n ALA 216 Ca 0.16 1.05 0.19 0.00 0.00 0.00 0.00 53.44 54.84 3kbz n ALA 216 Cb 0.39 -0.61 0.48 0.00 0.00 0.00 0.00 19.45 19.70 3kbz n ALA 216 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kbz h LYS 217 N 0.00 0.46 -0.09 0.00 3.64 -1.85 -1.09 116.57 117.64 3kbz h LYS 217 Ca 0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3kbz h LYS 217 Cb 0.69 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3kbz h LYS 217 CO -0.99 0.30 0.00 -0.25 -2.27 0.00 0.00 179.45 176.24 3kbz n ASP 218 N -4.56 2.59 -4.74 4.20 8.00 0.81 -5.00 116.55 117.85 3kbz n ASP 218 Ca 0.21 -1.85 -0.36 0.00 0.71 0.00 0.00 54.79 53.50 3kbz n ASP 218 Cb 0.70 -0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.81 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 -1.90 2.20 0.45 1.24 0.08 -0.41 -3.99 117.98 115.64 3kbz s PHE 219 Ca 0.33 1.52 -0.21 0.00 0.12 0.00 0.00 56.93 58.69 3kbz s PHE 219 Cb 0.20 -3.55 -0.10 0.00 -0.57 0.00 0.00 43.02 39.00 3kbz s PHE 219 CO 0.31 -2.57 0.97 0.16 -0.10 0.00 0.00 175.22 174.00 3kbz s ASP 220 N -1.64 6.78 0.33 1.36 1.47 -1.26 -4.84 116.67 118.86 3kbz s ASP 220 Ca 0.78 1.74 0.11 0.00 1.18 0.00 0.00 52.55 56.37 3kbz s ASP 220 Cb -0.33 -2.54 0.94 0.00 -0.34 0.00 0.00 42.92 40.65 3kbz s ASP 220 CO 0.39 -0.48 1.72 1.55 0.68 0.00 0.00 175.17 179.02 3kbz h PRO 221 N 1.77 0.50 -0.68 2.11 0.13 -1.99 -0.87 132.00 132.97 3kbz h PRO 221 Ca -0.49 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 3kbz h PRO 221 Cb 1.19 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3kbz h PRO 221 CO 0.61 0.33 0.16 0.00 -0.23 0.00 0.00 178.00 178.87 3kbz h ALA 222 N 1.75 0.90 -0.43 -0.56 0.00 -1.92 -0.23 119.26 118.78 3kbz h ALA 222 Ca 0.66 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 3kbz h ALA 222 Cb 1.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3kbz h ALA 222 CO -0.50 0.63 0.00 0.28 0.00 0.00 0.00 179.25 179.66 3kbz h VAL 223 N 1.03 1.26 -0.41 0.00 2.07 -1.58 -0.43 116.25 118.18 3kbz h VAL 223 Ca 0.21 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3kbz h VAL 223 Cb 0.37 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3kbz h VAL 223 CO 0.00 0.35 0.20 0.74 0.02 0.00 0.00 177.57 178.89 3kbz h THR 224 N 0.59 0.97 -0.34 2.57 2.02 -0.96 -1.36 112.91 116.40 3kbz h THR 224 Ca 0.12 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 3kbz h THR 224 Cb 0.48 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3kbz h THR 224 CO 0.02 0.08 -0.33 -0.08 0.37 0.00 0.00 175.52 175.58 3kbz h GLU 225 N 0.41 0.83 -0.12 6.66 4.81 -0.90 -1.99 114.58 124.27 3kbz h GLU 225 Ca 0.17 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3kbz h GLU 225 Cb 0.08 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3kbz h GLU 225 CO -0.12 1.07 0.08 -0.92 -0.73 0.00 0.00 179.01 178.39 3kbz h TYR 226 N 0.61 0.16 -0.87 0.92 3.20 -0.84 -0.66 116.97 119.49 3kbz h TYR 226 Ca 0.06 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3kbz h TYR 226 Cb 0.91 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 3kbz h TYR 226 CO 0.07 0.11 0.57 0.82 -1.64 0.00 0.00 178.16 178.08 3kbz h ILE 227 N 0.16 1.18 -0.77 1.81 1.08 -1.28 -1.31 117.51 118.39 3kbz h ILE 227 Ca 0.05 -0.39 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 3kbz h ILE 227 Cb -0.01 -0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 33.63 3kbz h ILE 227 CO -0.01 0.21 0.50 1.56 -0.69 0.00 0.00 178.15 179.72 3kbz h GLN 228 N 1.14 0.82 0.00 2.37 1.08 -0.76 -1.10 115.11 118.66 3kbz h GLN 228 Ca 0.33 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.41 3kbz h GLN 228 Cb -0.06 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 3kbz h GLN 228 CO -0.09 0.54 -0.37 0.00 -0.95 0.00 0.00 178.83 177.96 3kbz h ARG 229 N 0.84 0.00 0.02 1.46 3.08 0.02 0.90 114.38 120.70 3kbz h ARG 229 Ca 0.33 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.16 3kbz h ARG 229 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3kbz h ARG 229 CO -0.11 0.37 -0.94 0.87 -1.07 0.00 0.00 179.97 179.09 3kbz h LYS 230 N 0.00 0.21 0.17 0.04 6.56 -0.75 -2.91 116.57 119.89 3kbz h LYS 230 Ca -0.00 -0.26 -0.35 0.00 -1.06 0.00 0.00 60.65 58.98 3kbz h LYS 230 Cb 0.85 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 3kbz h LYS 230 CO 0.05 1.01 -1.75 0.87 -2.06 0.00 0.00 179.45 177.57 3kbz h LYS 231 N 0.11 0.35 -2.41 3.15 1.57 -1.27 -0.93 116.57 117.14 3kbz h LYS 231 Ca -0.06 -0.60 -0.60 0.00 -1.87 0.00 0.00 60.65 57.52 3kbz h LYS 231 Cb 1.59 0.23 -0.42 0.00 0.08 0.00 0.00 32.23 33.71 3kbz h LYS 231 CO 0.15 1.26 -0.64 1.19 -0.57 0.00 0.00 179.45 180.84 3kbz n PHE 232 N -3.55 3.10 -1.68 -1.35 3.72 0.30 -4.72 117.46 113.28 3kbz n PHE 232 Ca -0.24 -4.13 -0.53 0.00 -0.05 0.00 0.00 57.45 52.51 3kbz n PHE 232 Cb 1.07 -0.53 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 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 1.23 1.54 0.27 -1.08 -0.02 -1.10 -4.55 135.00 131.30 3kbz n PRO 233 Ca 0.27 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.46 3kbz n PRO 233 Cb 0.41 -2.29 0.78 0.00 -0.02 0.00 0.00 33.50 32.37 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 7.14 0.00 -0.63 0.52 0.11 -1.92 -0.61 132.00 136.61 3kbz h PRO 234 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kbz h PRO 234 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kbz h PRO 234 CO 0.92 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.40 3kbz n ASP 235 N -3.48 3.67 -1.69 -2.05 5.75 -1.26 -4.92 116.55 112.57 3kbz n ASP 235 Ca -0.02 -2.37 -0.13 0.00 -0.01 0.00 0.00 54.79 52.27 3kbz n ASP 235 Cb 0.23 -0.51 -0.04 0.00 -1.03 0.00 0.00 41.12 39.77 3kbz n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kbz n ASN 236 N 0.69 -3.53 -3.36 -1.12 3.02 -0.23 -4.97 115.26 105.76 3kbz n ASN 236 Ca 0.19 0.28 -0.22 0.00 -0.03 0.00 0.00 54.58 54.79 3kbz n ASN 236 Cb 0.71 -3.21 0.17 0.00 -0.61 0.00 0.00 39.78 36.83 3kbz n ASN 236 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kbz n SER 237 N -0.85 -0.71 -4.72 6.41 3.41 -1.26 -4.97 113.62 110.93 3kbz n SER 237 Ca -0.13 -1.21 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 3kbz n SER 237 Cb 0.48 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3kbz n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kbz s ALA 238 N -3.58 3.49 0.49 7.33 0.00 -1.26 -4.61 121.76 123.62 3kbz s ALA 238 Ca 0.55 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 53.28 3kbz s ALA 238 Cb -0.03 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 3kbz s ALA 238 CO 0.40 -0.50 1.29 -2.14 0.00 0.00 0.00 175.76 174.81 3kbz s PRO 239 N 0.59 3.48 0.61 0.00 0.02 -1.26 -4.94 135.00 133.50 3kbz s PRO 239 Ca 0.59 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 3kbz s PRO 239 Cb -0.34 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.76 3kbz s PRO 239 CO 0.33 -0.87 1.12 0.71 -0.33 0.00 0.00 177.00 177.95 3kbz s TYR 240 N -1.37 2.65 0.44 6.54 1.51 -0.35 -5.02 117.35 121.75 3kbz s TYR 240 Ca 0.66 1.55 -0.06 0.00 -1.01 0.00 0.00 57.07 58.21 3kbz s TYR 240 Cb -0.36 -3.21 -0.05 0.00 -0.11 0.00 0.00 41.96 38.23 3kbz s TYR 240 CO 0.44 -1.62 0.75 0.20 -1.11 0.00 0.00 175.55 174.21 3kbz s GLY 241 N -2.26 1.65 -0.04 0.71 0.00 0.52 -4.83 107.32 103.07 3kbz s GLY 241 Ca 0.69 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.02 3kbz s GLY 241 CO 0.35 -0.28 -0.17 0.00 0.00 0.00 0.00 173.10 173.00 3kbz s ALA 242 N -2.56 2.55 -0.11 3.20 0.00 -1.26 -1.71 121.76 121.87 3kbz s ALA 242 Ca 0.48 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 3kbz s ALA 242 Cb -0.10 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.19 3kbz s ALA 242 CO 0.39 0.55 0.27 1.03 0.00 0.00 0.00 175.76 178.01 3kbz s ARG 243 N -0.73 0.27 -0.29 0.00 1.81 -1.16 -4.99 118.95 113.87 3kbz s ARG 243 Ca 0.11 0.49 0.02 0.00 -1.72 0.00 0.00 55.73 54.64 3kbz s ARG 243 Cb -0.10 -0.00 0.17 0.00 -0.45 0.00 0.00 34.95 34.56 3kbz s ARG 243 CO 0.00 -0.11 0.46 -0.47 -0.68 0.00 0.00 175.30 174.50 3kbz s TYR 244 N 0.83 -1.21 0.12 -0.53 5.04 -1.26 -4.17 117.35 116.17 3kbz s TYR 244 Ca -0.06 0.60 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 3kbz s TYR 244 Cb -0.07 -0.00 -0.11 0.00 0.35 0.00 0.00 41.96 42.13 3kbz s TYR 244 CO -0.05 -0.98 1.31 0.28 -1.34 0.00 0.00 175.55 174.76 3kbz h VAL 245 N 6.12 1.34 0.00 3.14 2.07 -1.97 -3.48 116.25 123.47 3kbz h VAL 245 Ca -0.08 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3kbz h VAL 245 Cb 1.14 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3kbz h VAL 245 CO 0.24 0.68 0.00 0.61 0.02 0.00 0.00 177.57 179.12 3kbz n GLY 246 N 0.83 0.34 3.19 2.17 0.00 -1.26 -5.01 105.19 105.45 3kbz n GLY 246 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.61 3.87 0.20 1.61 0.15 -1.26 -4.91 113.70 110.75 3kbz s SER 247 Ca 0.00 -0.69 -0.11 0.00 0.70 0.00 0.00 55.95 55.85 3kbz s SER 247 Cb 0.00 -1.61 0.24 0.00 -1.71 0.00 0.00 66.02 62.94 3kbz s SER 247 CO 0.00 -0.05 1.73 -0.03 1.20 0.00 0.00 173.24 176.09 3kbz h MET 248 N 8.00 0.32 -0.87 5.44 4.05 -1.93 -1.08 114.93 128.86 3kbz h MET 248 Ca -0.39 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.04 3kbz h MET 248 Cb 1.13 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.81 3kbz h MET 248 CO 0.60 0.21 0.56 0.28 0.23 0.00 0.00 176.91 178.79 3kbz h VAL 249 N 0.33 1.15 -0.12 -5.77 2.07 -1.95 0.17 116.25 112.13 3kbz h VAL 249 Ca 0.28 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3kbz h VAL 249 Cb 0.36 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3kbz h VAL 249 CO -0.32 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 177.43 3kbz h ALA 250 N 1.36 0.17 -0.61 1.67 0.00 -1.74 -0.91 119.26 119.19 3kbz h ALA 250 Ca 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kbz h ALA 250 Cb -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kbz h ALA 250 CO -0.11 -0.07 0.23 -0.44 0.00 0.00 0.00 179.25 178.86 3kbz h ASP 251 N -0.10 0.85 -0.49 0.00 3.32 -0.98 -1.95 116.42 117.07 3kbz h ASP 251 Ca 0.03 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 3kbz h ASP 251 Cb 0.49 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kbz h ASP 251 CO 0.02 0.80 -0.18 0.58 -1.72 0.00 0.00 179.24 178.74 3kbz h VAL 252 N 0.85 1.27 -0.71 -1.35 2.07 -0.67 -2.16 116.25 115.55 3kbz h VAL 252 Ca 0.20 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 3kbz h VAL 252 Cb 0.22 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3kbz h VAL 252 CO -0.01 0.46 0.27 -0.74 0.02 0.00 0.00 177.57 177.56 3kbz h HIS 253 N 0.84 1.10 -0.74 1.57 -0.00 -0.99 -0.43 115.15 116.50 3kbz h HIS 253 Ca 0.12 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3kbz h HIS 253 Cb 0.75 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.80 3kbz h HIS 253 CO 0.05 0.85 0.29 -0.09 -0.00 0.00 0.00 177.93 179.03 3kbz h ARG 254 N 1.02 1.10 -0.48 5.26 2.43 -1.27 -0.54 114.38 121.90 3kbz h ARG 254 Ca 0.23 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kbz h ARG 254 Cb 0.24 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3kbz h ARG 254 CO -0.02 0.90 0.26 1.15 -1.51 0.00 0.00 179.97 180.75 3kbz h THR 255 N 1.07 1.17 -0.33 0.20 2.02 -0.79 0.24 112.91 116.49 3kbz h THR 255 Ca 0.25 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3kbz h THR 255 Cb 0.21 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3kbz h THR 255 CO -0.02 0.18 0.14 0.25 0.37 0.00 0.00 175.52 176.44 3kbz h LEU 256 N 0.64 0.46 -0.06 2.58 5.85 -0.62 0.62 115.31 124.77 3kbz h LEU 256 Ca 0.17 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kbz h LEU 256 Cb 0.06 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3kbz h LEU 256 CO -0.03 0.49 -0.09 0.58 -0.34 0.00 0.00 178.44 179.05 3kbz h VAL 257 N 0.39 1.41 0.00 1.05 2.07 -0.91 -3.36 116.25 116.90 3kbz h VAL 257 Ca 0.11 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3kbz h VAL 257 Cb 0.17 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3kbz h VAL 257 CO -0.01 0.38 -1.36 -1.22 0.02 0.00 0.00 177.57 175.37 3kbz n TYR 258 N -4.68 0.03 0.00 1.57 0.53 0.82 -4.89 117.16 110.54 3kbz n TYR 258 Ca -0.08 0.01 0.00 0.00 -1.02 0.00 0.00 57.90 56.81 3kbz n TYR 258 Cb 0.34 -0.24 0.00 0.00 -1.03 0.00 0.00 39.34 38.41 3kbz n TYR 258 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kbz n GLY 259 N 1.40 -0.90 0.00 2.72 0.00 0.22 -4.70 105.19 103.92 3kbz n GLY 259 Ca 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.95 0.20 2.99 -0.02 0.00 -1.26 -4.54 105.19 101.61 3kbz n GLY 260 Ca 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 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 0.04 -0.07 -0.61 2.07 -0.39 -0.31 121.20 121.94 3kbz s ILE 261 Ca 0.00 -0.34 0.05 0.00 -1.41 0.00 0.00 60.65 58.95 3kbz s ILE 261 Cb 0.00 -0.21 -0.00 0.00 0.13 0.00 0.00 42.46 42.38 3kbz s ILE 261 CO 0.00 -0.19 -0.22 0.12 -1.91 0.00 0.00 174.94 172.74 3kbz s PHE 262 N -0.58 2.27 0.00 3.50 5.36 0.46 -0.44 117.98 128.56 3kbz s PHE 262 Ca -0.07 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.16 3kbz s PHE 262 Cb -0.04 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.11 3kbz s PHE 262 CO 0.00 -0.28 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.88 3kbz s LEU 263 N 0.09 2.06 -0.44 6.12 1.02 0.14 -1.46 118.68 126.20 3kbz s LEU 263 Ca -0.09 -0.23 0.07 0.00 0.02 0.00 0.00 54.13 53.90 3kbz s LEU 263 Cb -0.15 -0.44 0.23 0.00 0.02 0.00 0.00 46.19 45.85 3kbz s LEU 263 CO 0.05 0.07 0.65 0.00 0.02 0.00 0.00 176.35 177.14 3kbz n TYR 264 N 2.62 -1.85 -1.58 0.29 4.19 -0.53 -4.34 117.16 115.96 3kbz n TYR 264 Ca -0.15 -2.66 -0.29 0.00 3.31 0.00 0.00 57.90 58.11 3kbz n TYR 264 Cb 0.57 0.59 0.11 0.00 0.49 0.00 0.00 39.34 41.09 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 -0.16 1.74 0.93 2.98 0.04 -1.26 -2.39 135.00 136.88 3kbz s PRO 265 Ca 0.33 0.47 -0.10 0.00 0.04 0.00 0.00 61.00 61.74 3kbz s PRO 265 Cb 0.16 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.96 3kbz s PRO 265 CO -0.16 -1.82 1.15 0.00 0.04 0.00 0.00 177.00 176.20 3kbz s ALA 266 N -3.24 1.39 0.43 8.56 0.00 -1.26 -4.59 121.76 123.05 3kbz s ALA 266 Ca 0.62 0.59 0.04 0.00 0.00 0.00 0.00 51.96 53.21 3kbz s ALA 266 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3kbz s ALA 266 CO 0.53 -2.84 0.04 -0.80 0.00 0.00 0.00 175.76 172.70 3kbz s ASN 267 N -2.64 3.49 0.44 0.00 0.02 -0.76 -4.70 114.94 110.79 3kbz s ASN 267 Ca 0.67 -1.53 0.24 0.00 -1.02 0.00 0.00 52.86 51.23 3kbz s ASN 267 Cb -0.23 0.15 0.80 0.00 0.02 0.00 0.00 41.25 41.98 3kbz s ASN 267 CO 0.58 -0.71 1.77 0.07 0.02 0.00 0.00 177.10 178.83 3kbz h LYS 268 N 1.69 0.00 -0.68 -0.60 2.10 -1.97 -2.18 116.57 114.93 3kbz h LYS 268 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3kbz h LYS 268 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kbz h LYS 268 CO 0.72 0.19 0.00 1.17 -2.00 0.00 0.00 179.45 179.53 3kbz n LYS 269 N -3.27 3.02 -2.79 0.07 3.00 -1.26 -4.32 118.16 112.61 3kbz n LYS 269 Ca 0.01 -2.60 -0.10 0.00 -0.00 0.00 0.00 58.31 55.62 3kbz n LYS 269 Cb 0.46 -1.68 0.07 0.00 0.00 0.00 0.00 35.03 33.89 3kbz n LYS 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3kbz n SER 270 N 1.36 -1.98 -0.03 3.14 7.64 -0.89 -5.00 113.62 117.86 3kbz n SER 270 Ca 0.24 -3.61 0.23 0.00 1.01 0.00 0.00 58.87 56.73 3kbz n SER 270 Cb 0.70 1.63 0.57 0.00 -1.01 0.00 0.00 64.21 66.09 3kbz n SER 270 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kbz h PRO 271 N 3.03 0.00 -0.57 1.43 0.11 -1.60 0.57 132.00 134.96 3kbz h PRO 271 Ca -0.08 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.67 3kbz h PRO 271 Cb 1.08 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.97 3kbz h PRO 271 CO 0.18 0.00 -0.06 0.09 -0.21 0.00 0.00 178.00 178.00 3kbz n ASN 272 N -3.37 3.86 -0.72 -2.05 5.03 -1.26 -4.80 115.26 111.94 3kbz n ASN 272 Ca 0.14 -3.78 0.10 0.00 0.87 0.00 0.00 54.58 51.91 3kbz n ASN 272 Cb 1.07 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 39.17 3kbz n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kbz n GLY 273 N -1.01 -2.07 0.03 7.41 0.00 0.19 -1.80 105.19 107.94 3kbz n GLY 273 Ca 0.42 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.59 1.59 -2.01 1.61 4.81 -1.26 -4.60 118.16 115.71 3kbz n LYS 274 Ca 0.00 0.02 -0.34 0.00 -0.87 0.00 0.00 58.31 57.12 3kbz n LYS 274 Cb 0.32 -1.11 0.03 0.00 0.02 0.00 0.00 35.03 34.28 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 -4.87 3.59 0.05 3.14 1.43 -1.26 -4.79 118.68 115.97 3kbz s LEU 275 Ca -0.05 2.14 -0.24 0.00 -1.03 0.00 0.00 54.13 54.95 3kbz s LEU 275 Cb 0.02 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 3kbz s LEU 275 CO 0.15 -1.46 0.74 -0.13 0.23 0.00 0.00 176.35 175.88 3kbz s ARG 276 N -3.61 4.47 0.02 1.70 3.00 -1.26 -0.78 118.95 122.48 3kbz s ARG 276 Ca 0.71 1.02 -0.25 0.00 0.00 0.00 0.00 55.73 57.21 3kbz s ARG 276 Cb -0.24 -3.35 -0.18 0.00 0.00 0.00 0.00 34.95 31.19 3kbz s ARG 276 CO 0.34 0.34 1.40 1.25 0.00 0.00 0.00 175.30 178.63 3kbz h LEU 277 N 5.49 -0.06 -0.46 2.53 5.85 -1.50 0.46 115.31 127.62 3kbz h LEU 277 Ca -0.45 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 3kbz h LEU 277 Cb 1.20 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3kbz h LEU 277 CO 0.70 0.26 0.22 -0.07 -0.34 0.00 0.00 178.44 179.21 3kbz h LEU 278 N -0.39 0.59 -2.99 2.25 4.07 -1.79 -0.69 115.31 116.36 3kbz h LEU 278 Ca -0.01 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3kbz h LEU 278 Cb 0.35 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.94 3kbz h LEU 278 CO 0.01 0.55 0.00 0.00 -1.08 0.00 0.00 178.44 177.92 3kbz n TYR 279 N -4.65 0.08 0.09 1.13 0.18 -1.26 -4.54 117.16 108.20 3kbz n TYR 279 Ca 0.01 -0.58 0.00 0.00 1.88 0.00 0.00 57.90 59.21 3kbz n TYR 279 Cb 0.11 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 39.00 3kbz n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3kbz n GLU 280 N -0.51 0.00 0.13 -3.48 1.02 -0.99 -4.27 120.64 112.54 3kbz n GLU 280 Ca 0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3kbz n GLU 280 Cb 0.34 -0.24 -0.08 0.00 -0.02 0.00 0.00 31.44 31.44 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 -0.81 -0.07 -0.65 0.00 -0.26 -1.36 0.74 115.58 113.16 3kbz h ASN 282 Ca -0.04 0.04 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 3kbz h ASN 282 Cb 0.51 0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.79 3kbz h ASN 282 CO 0.06 -0.01 0.38 -0.65 -1.06 0.00 0.00 177.43 176.14 3kbz h PRO 283 N 0.05 0.69 -0.20 0.81 0.11 -1.80 0.65 132.00 132.32 3kbz h PRO 283 Ca 0.08 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.01 3kbz h PRO 283 Cb 0.10 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3kbz h PRO 283 CO -0.14 0.46 -0.45 0.52 -0.21 0.00 0.00 178.00 178.18 3kbz h MET 284 N 0.72 0.51 -0.33 1.05 2.86 -1.43 -1.98 114.93 116.32 3kbz h MET 284 Ca 0.28 -0.27 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 3kbz h MET 284 Cb 0.11 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3kbz h MET 284 CO -0.15 0.86 -0.28 0.00 1.06 0.00 0.00 176.91 178.40 3kbz h ALA 285 N 1.10 0.88 -0.48 6.32 0.00 -0.32 -1.39 119.26 125.38 3kbz h ALA 285 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3kbz h ALA 285 Cb 0.95 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3kbz h ALA 285 CO 0.08 0.63 0.12 -0.92 0.00 0.00 0.00 179.25 179.16 3kbz h TYR 286 N 0.59 0.81 -0.63 0.00 3.20 -0.67 -0.77 116.97 119.49 3kbz h TYR 286 Ca 0.07 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3kbz h TYR 286 Cb 0.78 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3kbz h TYR 286 CO 0.04 0.73 0.12 0.28 -1.64 0.00 0.00 178.16 177.68 3kbz h VAL 287 N 0.65 1.26 -0.04 1.81 2.07 -1.19 -1.99 116.25 118.83 3kbz h VAL 287 Ca 0.15 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3kbz h VAL 287 Cb 0.33 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kbz h VAL 287 CO 0.00 0.37 0.02 0.24 0.02 0.00 0.00 177.57 178.22 3kbz h MET 288 N 0.95 0.06 -0.82 1.57 2.86 -1.00 -2.01 114.93 116.54 3kbz h MET 288 Ca 0.19 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 3kbz h MET 288 Cb 0.41 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3kbz h MET 288 CO 0.01 0.18 0.36 0.93 1.06 0.00 0.00 176.91 179.45 3kbz h GLU 289 N -0.07 1.20 0.00 1.72 5.08 -1.06 0.75 114.58 122.20 3kbz h GLU 289 Ca 0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3kbz h GLU 289 Cb 0.14 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kbz h GLU 289 CO -0.00 0.95 0.00 0.87 -1.00 0.00 0.00 179.01 179.83 3kbz h LYS 290 N 1.18 0.00 -0.37 2.33 1.79 -1.26 -1.41 116.57 118.83 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 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.34 3kbz n ALA 291 N -2.04 2.44 -0.70 3.86 0.00 -0.52 -4.47 120.51 119.08 3kbz n ALA 291 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3kbz n ALA 291 Cb 0.24 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.38 0.61 0.42 0.00 0.00 -0.53 -0.85 105.19 106.22 3kbz n GLY 292 Ca 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 2.14 3.21 -0.02 0.00 0.25 -4.50 105.19 103.57 3kbz n GLY 293 Ca 0.00 -2.15 -0.14 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 -2.28 0.96 -0.24 1.61 1.00 -0.72 -3.83 119.30 115.80 3kbz s MET 294 Ca 0.06 -1.32 -0.03 0.00 0.00 0.00 0.00 55.69 54.41 3kbz s MET 294 Cb -0.00 -0.57 0.13 0.00 0.00 0.00 0.00 34.83 34.39 3kbz s MET 294 CO 0.04 0.07 0.35 0.00 0.00 0.00 0.00 175.02 175.49 3kbz s ALA 295 N -2.96 -0.95 0.21 3.03 0.00 -1.26 -1.66 121.76 118.17 3kbz s ALA 295 Ca 0.12 0.72 0.09 0.00 0.00 0.00 0.00 51.96 52.88 3kbz s ALA 295 Cb 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 3kbz s ALA 295 CO -0.00 -1.30 -0.16 -0.08 0.00 0.00 0.00 175.76 174.21 3kbz s THR 296 N 2.51 1.88 -1.57 0.00 -1.32 -0.08 -1.51 115.64 115.54 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 -2.05 -0.03 0.00 -1.51 0.00 0.00 72.50 68.76 3kbz s THR 296 CO -0.17 -0.51 1.14 0.35 -2.21 0.00 0.00 174.62 173.23 3kbz n THR 297 N -0.29 0.00 0.00 5.08 -2.24 0.03 -0.37 114.28 116.49 3kbz n THR 297 Ca -0.08 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3kbz n THR 297 Cb 0.60 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.44 3.09 0.10 3.38 0.00 -1.26 -4.71 105.19 107.23 3kbz n GLY 298 Ca 0.08 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.96 118.16 115.18 3kbz n LYS 299 Ca 0.00 0.15 -0.08 0.00 -0.87 0.00 0.00 58.31 57.52 3kbz n LYS 299 Cb 0.00 -1.64 -0.03 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 1.71 0.17 1.64 -1.05 -1.26 -5.13 118.70 112.23 3kbz s GLU 300 Ca -0.14 -1.00 -0.31 0.00 -0.15 0.00 0.00 54.97 53.37 3kbz s GLU 300 Cb 0.07 0.58 -0.09 0.00 -0.44 0.00 0.00 34.13 34.26 3kbz s GLU 300 CO 0.78 -0.77 1.41 0.00 0.95 0.00 0.00 175.26 177.63 3kbz s ALA 301 N -3.92 3.61 0.28 -0.84 0.00 -1.26 -0.79 121.76 118.84 3kbz s ALA 301 Ca 0.12 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.29 3kbz s ALA 301 Cb -0.05 -3.54 0.66 0.00 0.00 0.00 0.00 23.12 20.19 3kbz s ALA 301 CO 0.06 -0.64 1.68 0.28 0.00 0.00 0.00 175.76 177.14 3kbz h VAL 302 N 3.97 0.45 0.00 0.00 2.07 -1.57 0.69 116.25 121.86 3kbz h VAL 302 Ca -0.43 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3kbz h VAL 302 Cb 1.21 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3kbz h VAL 302 CO 0.84 0.06 0.00 -0.07 0.02 0.00 0.00 177.57 178.42 3kbz h LEU 303 N 0.33 0.00 -0.24 2.57 4.07 -1.90 -2.49 115.31 117.64 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 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 3kbz h LEU 303 CO -0.55 0.00 -0.58 0.47 -1.08 0.00 0.00 178.44 176.70 3kbz n ASP 304 N -2.78 0.95 -4.73 -0.43 8.00 0.23 -1.03 116.55 116.76 3kbz n ASP 304 Ca -0.01 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.31 3kbz n ASP 304 Cb 0.12 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.82 3.21 -0.44 2.53 1.01 -0.94 -4.96 120.40 117.98 3kbz s VAL 305 Ca 0.14 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 3kbz s VAL 305 Cb 0.18 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 33.00 3kbz s VAL 305 CO 0.69 0.10 0.45 -0.63 0.00 0.00 0.00 175.10 175.71 3kbz s ILE 306 N 0.65 5.10 0.53 2.22 1.01 -1.26 -4.35 121.20 125.10 3kbz s ILE 306 Ca 0.61 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 3kbz s ILE 306 Cb -0.37 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 3kbz s ILE 306 CO 0.34 -0.51 1.15 -2.84 0.00 0.00 0.00 174.94 173.09 3kbz s PRO 307 N 2.07 3.41 0.00 2.79 0.02 -1.26 -4.96 135.00 137.06 3kbz s PRO 307 Ca 0.10 1.69 0.00 0.00 0.02 0.00 0.00 61.00 62.81 3kbz s PRO 307 Cb -0.19 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.23 3kbz s PRO 307 CO 0.12 -0.82 0.00 0.25 -0.33 0.00 0.00 177.00 176.21 3kbz n THR 308 N -1.13 0.00 -3.77 0.99 -2.24 -1.26 -4.81 114.28 102.07 3kbz n THR 308 Ca 0.11 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 3kbz n THR 308 Cb 0.50 0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 3kbz n THR 308 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kbz s ASP 309 N -1.35 -0.00 0.59 3.42 1.01 -1.26 -5.05 116.67 114.02 3kbz s ASP 309 Ca 0.00 0.13 0.28 0.00 0.71 0.00 0.00 52.55 53.68 3kbz s ASP 309 Cb 0.00 0.03 1.59 0.00 1.01 0.00 0.00 42.92 45.55 3kbz s ASP 309 CO 0.00 -0.13 2.03 0.16 0.21 0.00 0.00 175.17 177.44 3kbz h ILE 310 N 6.11 0.44 -0.23 0.77 3.07 -1.93 -1.73 117.51 124.02 3kbz h ILE 310 Ca -0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.98 3kbz h ILE 310 Cb 1.13 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 3kbz h ILE 310 CO 0.46 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.97 3kbz n HIS 311 N -3.79 0.77 -2.02 0.16 8.25 -1.26 -4.48 115.22 112.85 3kbz n HIS 311 Ca 0.04 -0.85 -0.38 0.00 -0.26 0.00 0.00 57.72 56.27 3kbz n HIS 311 Cb 0.44 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.63 3.43 0.59 -0.41 -2.07 -0.65 -4.83 119.66 113.09 3kbz s GLN 312 Ca 0.38 2.00 -0.06 0.00 -1.82 0.00 0.00 55.36 55.86 3kbz s GLN 312 Cb 0.31 -2.32 0.01 0.00 -1.09 0.00 0.00 33.01 29.92 3kbz s GLN 312 CO 0.09 -0.88 0.90 1.03 -1.32 0.00 0.00 175.29 175.10 3kbz s ARG 313 N -2.82 2.93 -0.23 9.60 3.00 -1.26 -1.41 118.95 128.75 3kbz s ARG 313 Ca 0.68 0.00 -0.18 0.00 0.00 0.00 0.00 55.73 56.23 3kbz s ARG 313 Cb -0.34 -2.27 0.07 0.00 0.00 0.00 0.00 34.95 32.40 3kbz s ARG 313 CO 0.41 -0.70 0.60 0.00 0.00 0.00 0.00 175.30 175.61 3kbz s ALA 314 N -2.99 -1.54 0.60 2.13 0.00 0.04 -4.64 121.76 115.37 3kbz s ALA 314 Ca 0.54 1.90 -0.16 0.00 0.00 0.00 0.00 51.96 54.23 3kbz s ALA 314 Cb -0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 3kbz s ALA 314 CO 0.45 -0.31 1.08 -2.14 0.00 0.00 0.00 175.76 174.84 3kbz s PRO 315 N 0.88 3.18 -0.16 0.00 0.02 -1.24 -4.17 135.00 133.51 3kbz s PRO 315 Ca -0.04 1.33 -0.12 0.00 0.02 0.00 0.00 61.00 62.18 3kbz s PRO 315 Cb -0.05 -2.01 0.05 0.00 0.02 0.00 0.00 34.50 32.51 3kbz s PRO 315 CO -0.07 -0.94 0.41 0.54 -0.33 0.00 0.00 177.00 176.61 3kbz s VAL 316 N -2.30 -0.01 -0.13 3.83 0.11 -1.01 -4.28 120.40 116.61 3kbz s VAL 316 Ca 0.66 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.73 3kbz s VAL 316 Cb -0.18 -0.60 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3kbz s VAL 316 CO 0.36 0.02 0.01 -0.63 -3.33 0.00 0.00 175.10 171.53 3kbz s ILE 317 N 0.76 0.49 0.19 7.04 1.09 0.50 -1.45 121.20 129.82 3kbz s ILE 317 Ca -0.04 -0.21 -0.02 0.00 -1.10 0.00 0.00 60.65 59.28 3kbz s ILE 317 Cb -0.05 -0.80 -0.04 0.00 -1.06 0.00 0.00 42.46 40.51 3kbz s ILE 317 CO -0.06 0.06 0.14 -1.48 -0.10 0.00 0.00 174.94 173.50 3kbz s LEU 318 N 1.90 1.19 0.00 2.97 0.05 -0.54 -0.90 118.68 123.35 3kbz s LEU 318 Ca 0.02 -1.34 0.00 0.00 0.05 0.00 0.00 54.13 52.86 3kbz s LEU 318 Cb -0.14 0.44 0.00 0.00 -2.05 0.00 0.00 46.19 44.44 3kbz s LEU 318 CO -0.07 -0.84 0.00 0.61 -0.55 0.00 0.00 176.35 175.50 3kbz n GLY 319 N -0.25 0.70 3.66 -3.48 0.00 -0.66 -0.41 105.19 104.75 3kbz n GLY 319 Ca 0.01 -1.87 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 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 2.56 -0.05 1.61 7.64 0.58 -1.75 113.62 124.21 3kbz n SER 320 Ca 0.00 1.15 -0.10 0.00 1.01 0.00 0.00 58.87 60.94 3kbz n SER 320 Cb 0.00 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 61.76 3kbz n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kbz h PRO 321 N 3.82 -0.33 -1.00 1.43 0.13 -1.77 -0.89 132.00 133.38 3kbz h PRO 321 Ca -0.45 0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.86 3kbz h PRO 321 Cb 1.29 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 3kbz h PRO 321 CO 0.73 -0.22 0.62 -0.44 -0.23 0.00 0.00 178.00 178.46 3kbz h ASP 322 N -0.35 0.86 -0.33 1.44 3.32 -1.77 0.24 116.42 119.83 3kbz h ASP 322 Ca 0.12 0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.07 3kbz h ASP 322 Cb 0.55 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3kbz h ASP 322 CO -0.44 0.39 -0.47 0.44 -1.72 0.00 0.00 179.24 177.44 3kbz h ASP 323 N 0.88 1.00 -0.17 6.45 3.45 -1.52 -1.82 116.42 124.69 3kbz h ASP 323 Ca 0.54 -0.50 -0.08 0.00 0.43 0.00 0.00 57.03 57.41 3kbz h ASP 323 Cb 0.69 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3kbz h ASP 323 CO -0.32 1.30 -0.21 0.58 -1.57 0.00 0.00 179.24 179.02 3kbz h VAL 324 N 0.72 1.35 -0.61 -1.35 2.07 -0.35 -2.15 116.25 115.92 3kbz h VAL 324 Ca 0.04 -1.41 0.10 0.00 0.82 0.00 0.00 66.70 66.24 3kbz h VAL 324 Cb 1.08 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 3kbz h VAL 324 CO 0.11 0.42 0.22 -0.07 0.02 0.00 0.00 177.57 178.28 3kbz h LEU 325 N 0.07 0.22 -0.83 2.57 -0.00 -0.57 0.71 115.31 117.47 3kbz h LEU 325 Ca 0.02 0.08 0.02 0.00 -0.00 0.00 0.00 57.88 58.00 3kbz h LEU 325 Cb 0.77 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.45 3kbz h LEU 325 CO 0.05 0.13 0.55 -0.08 -0.00 0.00 0.00 178.44 179.08 3kbz h GLU 326 N 0.40 1.06 -0.27 1.13 4.81 -1.22 -0.26 114.58 120.22 3kbz h GLU 326 Ca 0.31 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3kbz h GLU 326 Cb 0.39 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3kbz h GLU 326 CO -0.31 0.70 0.11 0.35 -0.73 0.00 0.00 179.01 179.13 3kbz h PHE 327 N 1.09 0.41 -0.29 0.92 3.57 -0.39 -2.30 116.94 119.95 3kbz h PHE 327 Ca 0.32 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.83 3kbz h PHE 327 Cb -0.07 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3kbz h PHE 327 CO -0.02 0.42 0.20 -0.07 -2.23 0.00 0.00 178.31 176.61 3kbz h LEU 328 N 0.29 0.16 -0.06 0.59 3.38 -0.28 0.20 115.31 119.59 3kbz h LEU 328 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kbz h LEU 328 Cb 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kbz h LEU 328 CO -0.01 0.11 0.02 0.11 0.09 0.00 0.00 178.44 178.76 3kbz h LYS 329 N 0.18 0.10 -0.57 1.13 1.79 -0.52 0.81 116.57 119.49 3kbz h LYS 329 Ca 0.13 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 3kbz h LYS 329 Cb 0.28 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 3kbz h LYS 329 CO -0.02 0.24 0.24 0.28 -1.08 0.00 0.00 179.45 179.11 3kbz h VAL 330 N -0.07 1.22 -0.46 0.50 2.07 -0.81 -2.15 116.25 116.55 3kbz h VAL 330 Ca 0.02 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3kbz h VAL 330 Cb 0.18 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3kbz h VAL 330 CO -0.00 0.26 0.22 0.22 0.02 0.00 0.00 177.57 178.28 3kbz h TYR 331 N 0.78 0.39 -0.14 1.57 3.20 -0.40 -1.99 116.97 120.38 3kbz h TYR 331 Ca 0.19 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3kbz h TYR 331 Cb 0.17 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3kbz h TYR 331 CO 0.00 0.18 -0.15 0.93 -1.64 0.00 0.00 178.16 177.48 3kbz h GLU 332 N 0.43 0.23 0.00 1.82 5.08 -0.59 -2.25 114.58 119.29 3kbz h GLU 332 Ca 0.21 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3kbz h GLU 332 Cb 0.14 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3kbz h GLU 332 CO -0.16 0.39 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.76 3kbz h LYS 333 N 0.22 0.00 -0.51 2.33 3.64 -0.70 -2.16 116.57 119.39 3kbz h LYS 333 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kbz h LYS 333 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 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 -4.11 0.67 0.97 1.91 8.25 -0.88 -5.12 115.22 116.91 3kbz n HIS 334 Ca -0.02 -0.33 0.12 0.00 -0.26 0.00 0.00 57.72 57.22 3kbz n HIS 334 Cb 0.31 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.52 3kbz n HIS 334 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85