#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbg s ASP 35 N 0.00 6.56 0.00 4.39 -0.00 -1.26 -4.90 116.67 121.46 3kbg s ASP 35 Ca 0.00 2.75 0.26 0.00 -0.00 0.00 0.00 52.55 55.56 3kbg s ASP 35 Cb 0.00 -2.62 0.62 0.00 -0.00 0.00 0.00 42.92 40.92 3kbg s ASP 35 CO 0.00 -0.78 1.48 0.00 -0.00 0.00 0.00 175.17 175.88 3kbg n GLN 36 N 2.44 1.15 -3.89 8.23 1.13 -1.26 -4.54 117.38 120.65 3kbg n GLN 36 Ca 0.08 -0.77 -0.11 0.00 -1.94 0.00 0.00 57.00 54.26 3kbg n GLN 36 Cb 0.39 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 29.16 3kbg n GLN 36 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3kbg s SER 37 N -2.38 0.06 0.22 1.08 1.04 -1.26 -4.49 113.70 107.97 3kbg s SER 37 Ca 0.26 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3kbg s SER 37 Cb 0.19 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 3kbg s SER 37 CO 0.48 -0.38 0.11 0.68 0.98 0.00 0.00 173.24 175.11 3kbg s VAL 38 N -1.52 0.28 0.51 5.02 -7.23 -0.46 -4.92 120.40 112.08 3kbg s VAL 38 Ca -0.14 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.83 3kbg s VAL 38 Cb -0.07 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.27 3kbg s VAL 38 CO 0.01 -0.04 1.11 0.42 -0.31 0.00 0.00 175.10 176.29 3kbg s THR 39 N -3.95 3.32 0.24 5.32 -4.23 -1.26 -0.70 115.64 114.38 3kbg s THR 39 Ca 0.37 0.85 -0.07 0.00 -1.18 0.00 0.00 61.69 61.66 3kbg s THR 39 Cb 0.07 -3.36 0.23 0.00 1.34 0.00 0.00 72.50 70.79 3kbg s THR 39 CO 0.12 -0.15 1.90 0.25 -0.54 0.00 0.00 174.62 176.20 3kbg h LEU 40 N 1.44 1.11 -0.49 4.79 5.85 -0.86 -2.49 115.31 124.66 3kbg h LEU 40 Ca -0.50 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3kbg h LEU 40 Cb 1.25 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3kbg h LEU 40 CO 0.58 0.83 0.27 0.25 -0.34 0.00 0.00 178.44 180.02 3kbg h LEU 41 N 1.29 0.61 -0.85 2.25 5.85 -1.81 -2.56 115.31 120.09 3kbg h LEU 41 Ca 0.34 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3kbg h LEU 41 Cb -0.11 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3kbg h LEU 41 CO -0.07 0.52 0.53 0.77 -0.34 0.00 0.00 178.44 179.85 3kbg h SER 42 N 0.64 1.01 0.70 1.25 4.64 -1.73 0.40 113.55 120.46 3kbg h SER 42 Ca 0.17 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 3kbg h SER 42 Cb 0.05 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 3kbg h SER 42 CO -0.03 0.76 -0.84 -0.29 -0.87 0.00 0.00 176.83 175.56 3kbg h ILE 43 N 1.16 1.54 -0.20 0.95 2.10 -1.30 -0.37 117.51 121.39 3kbg h ILE 43 Ca 0.31 -2.70 -0.14 0.00 1.08 0.00 0.00 64.86 63.40 3kbg h ILE 43 Cb -0.08 2.48 0.00 0.00 -1.09 0.00 0.00 36.82 38.14 3kbg h ILE 43 CO -0.06 0.78 -0.42 0.40 -1.08 0.00 0.00 178.15 177.77 3kbg h ILE 44 N 0.05 1.33 -0.89 2.19 2.04 -1.19 -2.48 117.51 118.56 3kbg h ILE 44 Ca -0.03 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.17 3kbg h ILE 44 Cb 1.47 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 39.38 3kbg h ILE 44 CO 0.12 0.51 0.49 -0.09 0.00 0.00 0.00 178.15 179.18 3kbg h ARG 45 N 0.31 1.24 -0.69 2.37 2.43 -0.81 0.21 114.38 119.44 3kbg h ARG 45 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3kbg h ARG 45 Cb 1.02 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3kbg h ARG 45 CO 0.09 0.90 0.44 -0.44 -1.51 0.00 0.00 179.97 179.45 3kbg h ASP 46 N 1.24 0.81 -0.22 -3.80 3.32 -1.09 0.16 116.42 116.84 3kbg h ASP 46 Ca 0.31 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3kbg h ASP 46 Cb 0.02 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3kbg h ASP 46 CO -0.05 0.60 -0.22 0.22 -1.72 0.00 0.00 179.24 178.08 3kbg h TYR 47 N 0.94 0.64 0.00 4.55 3.20 -0.93 -3.04 116.97 122.32 3kbg h TYR 47 Ca 0.25 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3kbg h TYR 47 Cb -0.08 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3kbg h TYR 47 CO -0.02 0.87 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.08 3kbg h LEU 48 N 0.22 0.00 -1.38 2.82 3.38 -0.81 -1.00 115.31 118.54 3kbg h LEU 48 Ca 0.04 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.20 3kbg h LEU 48 Cb 0.76 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 3kbg h LEU 48 CO 0.05 0.23 0.61 0.11 0.09 0.00 0.00 178.44 179.53 3kbg h LYS 49 N 0.00 0.50 0.00 1.13 1.57 -0.84 -0.26 116.57 118.66 3kbg h LYS 49 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kbg h LYS 49 Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3kbg h LYS 49 CO 0.03 0.33 0.00 -0.07 -0.57 0.00 0.00 179.45 179.17 3kbg h LEU 50 N 0.51 0.00 -2.84 2.94 3.38 -1.27 -0.99 115.31 117.04 3kbg h LEU 50 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3kbg h LEU 50 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kbg h LEU 50 CO -0.23 0.00 -0.07 -1.54 0.09 0.00 0.00 178.44 176.70 3kbg n SER 51 N -2.60 1.99 -1.19 -0.43 3.41 -0.52 -4.96 113.62 109.32 3kbg n SER 51 Ca -0.01 -2.84 -0.15 0.00 -0.26 0.00 0.00 58.87 55.61 3kbg n SER 51 Cb 0.13 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 3kbg n SER 51 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kbg n ASP 52 N -1.17 -4.72 -0.95 4.04 2.03 -0.38 -4.88 116.55 110.54 3kbg n ASP 52 Ca 0.13 0.31 0.08 0.00 0.52 0.00 0.00 54.79 55.83 3kbg n ASP 52 Cb 0.62 -3.55 0.26 0.00 -0.72 0.00 0.00 41.12 37.72 3kbg n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kbg n LYS 53 N -2.55 3.09 0.32 -0.67 5.02 -0.23 -4.64 118.16 118.50 3kbg n LYS 53 Ca -0.15 -2.75 0.19 0.00 -2.02 0.00 0.00 58.31 53.58 3kbg n LYS 53 Cb 0.50 -1.79 1.08 0.00 -0.02 0.00 0.00 35.03 34.80 3kbg n LYS 53 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3kbg h GLU 54 N 2.06 0.00 0.00 1.97 9.09 -1.82 -1.40 114.58 124.47 3kbg h GLU 54 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3kbg h GLU 54 Cb 1.38 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.48 3kbg h GLU 54 CO 0.21 0.00 -0.06 0.00 0.05 0.00 0.00 179.01 179.22 3kbg h ARG 55 N 0.00 0.00 -0.01 1.06 3.08 -1.92 -1.97 114.38 114.62 3kbg h ARG 55 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kbg h ARG 55 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3kbg h ARG 55 CO 0.00 0.06 -0.51 -0.85 -1.07 0.00 0.00 179.97 177.60 3kbg n GLU 56 N -3.42 0.49 -0.18 0.04 0.28 -0.53 -4.42 120.64 112.90 3kbg n GLU 56 Ca -0.02 -0.34 -0.00 0.00 -0.16 0.00 0.00 57.16 56.64 3kbg n GLU 56 Cb 0.19 -1.49 0.09 0.00 1.43 0.00 0.00 31.44 31.66 3kbg n GLU 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kbg h ALA 57 N 3.38 0.62 -0.30 -1.84 0.00 -1.45 0.10 119.26 119.78 3kbg h ALA 57 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3kbg h ALA 57 Cb 0.55 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kbg h ALA 57 CO 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 179.25 178.55 3kbg h ALA 58 N 1.47 0.79 -0.36 0.00 0.00 -1.79 -2.03 119.26 117.34 3kbg h ALA 58 Ca 0.29 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3kbg h ALA 58 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kbg h ALA 58 CO -0.41 0.65 -0.41 0.07 0.00 0.00 0.00 179.25 179.15 3kbg h ARG 59 N 0.58 0.90 -0.51 0.00 0.11 -1.66 -1.09 114.38 112.71 3kbg h ARG 59 Ca 0.06 -0.50 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 3kbg h ARG 59 Cb 0.89 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 3kbg h ARG 59 CO 0.08 1.15 0.31 0.82 0.10 0.00 0.00 179.97 182.42 3kbg h ILE 60 N 0.71 1.15 -0.56 0.08 2.04 -0.67 -1.18 117.51 119.09 3kbg h ILE 60 Ca 0.05 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3kbg h ILE 60 Cb 1.00 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3kbg h ILE 60 CO 0.10 0.16 0.35 0.25 0.00 0.00 0.00 178.15 179.00 3kbg h LEU 61 N 0.69 0.57 -1.41 1.44 6.46 -1.32 -2.88 115.31 118.86 3kbg h LEU 61 Ca 0.18 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 3kbg h LEU 61 Cb -0.01 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 3kbg h LEU 61 CO -0.03 0.40 -0.27 0.00 -0.62 0.00 0.00 178.44 177.92 3kbg h ALA 62 N 1.24 1.23 -0.08 1.25 0.00 -0.58 -2.35 119.26 119.97 3kbg h ALA 62 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kbg h ALA 62 Cb -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kbg h ALA 62 CO -0.09 0.33 0.00 -1.71 0.00 0.00 0.00 179.25 177.79 3kbg n ASN 63 N -3.75 0.66 -0.60 0.00 4.05 -0.50 -4.85 115.26 110.27 3kbg n ASN 63 Ca -0.01 -1.63 -0.07 0.00 0.45 0.00 0.00 54.58 53.31 3kbg n ASN 63 Cb 0.37 -0.05 -0.03 0.00 1.23 0.00 0.00 39.78 41.30 3kbg n ASN 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kbg n GLY 64 N 0.88 0.85 0.88 8.20 0.00 -0.88 -4.88 105.19 110.24 3kbg n GLY 64 Ca 0.13 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.53 3kbg n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbg n LEU 65 N -0.86 2.58 -4.28 0.99 4.77 -1.14 -4.87 117.00 114.18 3kbg n LEU 65 Ca -0.08 -1.24 -0.32 0.00 -0.03 0.00 0.00 56.01 54.35 3kbg n LEU 65 Cb 0.28 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 3kbg n LEU 65 CO 0.11 0.62 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.57 3kbg s VAL 66 N -1.44 2.34 0.11 4.08 1.01 -1.26 -1.00 120.40 124.24 3kbg s VAL 66 Ca 0.34 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.47 3kbg s VAL 66 Cb 0.18 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3kbg s VAL 66 CO 0.24 0.56 -0.22 -0.54 0.00 0.00 0.00 175.10 175.14 3kbg s LYS 67 N 0.12 1.18 -0.13 2.72 1.02 -0.34 -1.23 119.74 123.08 3kbg s LYS 67 Ca -0.11 -1.20 0.02 0.00 0.02 0.00 0.00 55.97 54.70 3kbg s LYS 67 Cb -0.16 -1.49 0.01 0.00 -0.52 0.00 0.00 37.83 35.67 3kbg s LYS 67 CO 0.06 0.35 -0.18 0.08 -0.92 0.00 0.00 175.35 174.74 3kbg s VAL 68 N -1.14 1.75 -1.54 3.17 1.01 -0.11 -0.95 120.40 122.59 3kbg s VAL 68 Ca 0.08 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 3kbg s VAL 68 Cb -0.10 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.78 3kbg s VAL 68 CO 0.05 0.49 0.72 0.47 0.00 0.00 0.00 175.10 176.83 3kbg n ASP 69 N 4.20 -2.62 -0.16 3.32 8.00 0.49 -1.79 116.55 127.99 3kbg n ASP 69 Ca -0.19 -0.93 -0.02 0.00 0.71 0.00 0.00 54.79 54.35 3kbg n ASP 69 Cb 0.51 -3.25 -0.01 0.00 -0.02 0.00 0.00 41.12 38.36 3kbg n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kbg n GLY 70 N -1.66 0.51 3.12 0.44 0.00 -1.26 -4.88 105.19 101.46 3kbg n GLY 70 Ca -0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3kbg n GLY 70 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kbg s LYS 71 N -1.23 2.56 0.19 1.61 2.36 -0.74 -5.07 119.74 119.42 3kbg s LYS 71 Ca 0.00 -0.69 -0.33 0.00 -2.55 0.00 0.00 55.97 52.40 3kbg s LYS 71 Cb 0.00 -2.07 -0.14 0.00 -1.05 0.00 0.00 37.83 34.57 3kbg s LYS 71 CO 0.00 0.01 1.53 2.41 1.55 0.00 0.00 175.35 180.86 3kbg n THR 72 N 3.97 0.30 -4.62 3.43 -1.04 -1.26 -0.94 114.28 114.12 3kbg n THR 72 Ca -0.20 -0.07 -0.24 0.00 -2.04 0.00 0.00 64.05 61.50 3kbg n THR 72 Cb 0.52 -1.54 -0.16 0.00 -1.82 0.00 0.00 70.33 67.33 3kbg n THR 72 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kbg s VAL 73 N 0.61 1.13 -0.05 12.58 1.01 -0.37 -4.85 120.40 130.47 3kbg s VAL 73 Ca 0.75 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3kbg s VAL 73 Cb -0.66 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3kbg s VAL 73 CO 0.41 0.34 0.46 0.54 0.00 0.00 0.00 175.10 176.85 3kbg n ARG 74 N 3.38 -0.02 -2.70 2.72 1.74 -1.26 -4.53 116.66 115.99 3kbg n ARG 74 Ca -0.20 -0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 55.99 3kbg n ARG 74 Cb 0.53 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.99 3kbg n ARG 74 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3kbg s GLU 75 N -0.16 3.68 0.54 5.56 2.56 -1.26 -4.79 118.70 124.83 3kbg s GLU 75 Ca 0.00 0.44 0.21 0.00 0.00 0.00 0.00 54.97 55.62 3kbg s GLU 75 Cb 0.00 -3.90 1.45 0.00 2.00 0.00 0.00 34.13 33.68 3kbg s GLU 75 CO 0.01 -1.26 2.18 1.57 -0.56 0.00 0.00 175.26 177.19 3kbg h LYS 76 N 9.06 0.00 -0.01 4.30 2.10 -1.98 -2.62 116.57 127.41 3kbg h LYS 76 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3kbg h LYS 76 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3kbg h LYS 76 CO 1.07 0.01 -0.10 1.63 -2.00 0.00 0.00 179.45 180.07 3kbg n LYS 77 N -4.27 1.01 -1.79 0.07 5.02 -1.26 -2.93 118.16 114.01 3kbg n LYS 77 Ca -0.03 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.40 3kbg n LYS 77 Cb 0.10 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3kbg n LYS 77 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3kbg s PHE 78 N -2.30 2.79 0.05 2.13 5.36 -0.99 -4.75 117.98 120.27 3kbg s PHE 78 Ca 0.33 0.35 -0.18 0.00 -0.96 0.00 0.00 56.93 56.46 3kbg s PHE 78 Cb 0.20 -4.08 -0.06 0.00 -0.34 0.00 0.00 43.02 38.74 3kbg s PHE 78 CO 0.43 -4.16 0.53 0.00 -1.46 0.00 0.00 175.22 170.56 3kbg s ALA 79 N 1.52 3.61 0.20 11.12 0.00 -1.26 -0.59 121.76 136.36 3kbg s ALA 79 Ca 0.75 -0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.77 3kbg s ALA 79 Cb -0.47 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 3kbg s ALA 79 CO 0.33 0.40 -0.17 0.14 0.00 0.00 0.00 175.76 176.46 3kbg s VAL 80 N -1.04 1.89 0.00 0.00 -7.23 0.13 -4.89 120.40 109.25 3kbg s VAL 80 Ca 0.28 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3kbg s VAL 80 Cb -0.19 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3kbg s VAL 80 CO 0.18 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 3kbg n GLY 81 N -0.15 3.26 2.83 2.32 0.00 -1.26 -1.36 105.19 110.83 3kbg n GLY 81 Ca -0.10 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 3kbg n GLY 81 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kbg n PHE 82 N 0.00 0.00 0.00 1.61 7.35 -1.26 -4.68 117.46 120.48 3kbg n PHE 82 Ca 0.00 -0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 3kbg n PHE 82 Cb 0.00 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 39.41 3kbg n PHE 82 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3kbg n ASP 84 N 4.03 0.00 -4.62 -2.13 8.00 -1.26 -4.92 116.55 115.65 3kbg n ASP 84 Ca 0.05 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.16 3kbg n ASP 84 Cb 0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 3kbg n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kbg s VAL 85 N -1.15 5.20 -0.17 2.53 1.01 -1.26 -1.40 120.40 125.16 3kbg s VAL 85 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 3kbg s VAL 85 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3kbg s VAL 85 CO 0.00 0.19 -0.08 -0.63 0.00 0.00 0.00 175.10 174.59 3kbg s ILE 86 N 1.83 3.37 -0.13 2.22 1.01 0.17 -0.38 121.20 129.28 3kbg s ILE 86 Ca 0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3kbg s ILE 86 Cb -0.15 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 3kbg s ILE 86 CO 0.09 0.48 -0.01 -0.70 0.00 0.00 0.00 174.94 174.80 3kbg s GLU 87 N 0.78 3.47 -0.25 2.79 2.12 -0.13 -0.19 118.70 127.29 3kbg s GLU 87 Ca -0.03 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 3kbg s GLU 87 Cb -0.15 -2.92 0.08 0.00 0.26 0.00 0.00 34.13 31.40 3kbg s GLU 87 CO 0.02 0.42 0.03 0.42 -0.54 0.00 0.00 175.26 175.60 3kbg s ILE 88 N -0.09 1.05 -0.81 -3.70 1.01 0.30 -1.20 121.20 117.76 3kbg s ILE 88 Ca 0.04 -1.14 -0.05 0.00 0.00 0.00 0.00 60.65 59.50 3kbg s ILE 88 Cb -0.13 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3kbg s ILE 88 CO 0.02 -0.35 0.71 0.59 0.00 0.00 0.00 174.94 175.91 3kbg n ASN 89 N 4.82 -4.45 0.00 3.58 4.13 -0.17 -1.95 115.26 121.21 3kbg n ASN 89 Ca -0.07 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 55.86 3kbg n ASN 89 Cb 0.44 -3.24 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 3kbg n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kbg n GLY 90 N -1.39 1.06 3.83 7.41 0.00 -1.26 -5.01 105.19 109.83 3kbg n GLY 90 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3kbg n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kbg s GLU 91 N -0.19 3.27 -0.07 1.61 0.41 -0.82 -5.10 118.70 117.79 3kbg s GLU 91 Ca 0.00 -0.34 -0.03 0.00 -0.41 0.00 0.00 54.97 54.19 3kbg s GLU 91 Cb 0.00 -3.01 -0.04 0.00 -1.78 0.00 0.00 34.13 29.30 3kbg s GLU 91 CO 0.00 0.69 0.08 -1.12 -0.49 0.00 0.00 175.26 174.43 3kbg s SER 92 N -1.54 5.83 0.07 -0.19 0.01 -1.26 -0.54 113.70 116.07 3kbg s SER 92 Ca 0.21 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.76 3kbg s SER 92 Cb -0.12 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 3kbg s SER 92 CO 0.12 0.36 -0.06 -0.31 0.41 0.00 0.00 173.24 173.75 3kbg s TYR 93 N -1.04 0.75 -0.05 2.43 2.02 0.73 -1.30 117.35 120.89 3kbg s TYR 93 Ca 0.17 -0.79 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 3kbg s TYR 93 Cb -0.12 -0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 40.97 3kbg s TYR 93 CO 0.07 -0.16 -0.20 0.50 -1.57 0.00 0.00 175.55 174.19 3kbg s ARG 94 N -3.06 2.51 -0.19 -0.62 6.06 -1.26 -0.66 118.95 121.74 3kbg s ARG 94 Ca 0.03 -0.81 -0.27 0.00 -2.50 0.00 0.00 55.73 52.18 3kbg s ARG 94 Cb 0.00 -2.26 -0.00 0.00 0.06 0.00 0.00 34.95 32.75 3kbg s ARG 94 CO -0.04 0.50 0.94 0.08 -2.50 0.00 0.00 175.30 174.28 3kbg s VAL 95 N -0.44 4.79 0.14 7.11 1.01 -0.49 -4.35 120.40 128.17 3kbg s VAL 95 Ca 0.05 1.85 0.02 0.00 0.00 0.00 0.00 61.98 63.89 3kbg s VAL 95 Cb -0.12 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 3kbg s VAL 95 CO 0.01 -0.06 0.07 1.33 0.00 0.00 0.00 175.10 176.45 3kbg n VAL 96 N 4.96 0.00 -4.22 2.92 0.24 0.08 -4.36 118.33 117.96 3kbg n VAL 96 Ca 0.08 -0.88 -0.28 0.00 -2.04 0.00 0.00 64.34 61.22 3kbg n VAL 96 Cb 0.48 0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 33.11 3kbg n VAL 96 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3kbg s TYR 97 N -2.20 2.79 0.60 6.34 2.02 -1.26 -0.96 117.35 124.68 3kbg s TYR 97 Ca 0.09 -0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.69 3kbg s TYR 97 Cb 0.00 -1.39 0.11 0.00 -0.40 0.00 0.00 41.96 40.29 3kbg s TYR 97 CO 0.07 0.49 0.83 0.27 -1.57 0.00 0.00 175.55 175.64 3kbg n ASN 98 N 0.16 1.55 0.22 2.29 0.23 -0.67 -4.81 115.26 114.24 3kbg n ASN 98 Ca -0.11 -2.21 0.15 0.00 -0.53 0.00 0.00 54.58 51.89 3kbg n ASN 98 Cb 0.54 -0.50 0.69 0.00 -2.08 0.00 0.00 39.78 38.43 3kbg n ASN 98 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kbg h ASP 99 N -0.26 0.00 -0.00 0.53 3.32 -1.91 -1.34 116.42 116.76 3kbg h ASP 99 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3kbg h ASP 99 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3kbg h ASP 99 CO 0.34 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.85 3kbg n GLN 100 N -2.67 1.54 -0.55 3.56 3.00 -1.26 -4.88 117.38 116.13 3kbg n GLN 100 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.19 3kbg n GLN 100 Cb 0.20 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.96 3kbg n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kbg n GLY 101 N 1.15 0.75 3.88 1.08 0.00 -0.51 -4.90 105.19 106.65 3kbg n GLY 101 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3kbg n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbg s ALA 102 N -2.61 3.59 0.18 4.61 0.00 -1.26 -4.63 121.76 121.63 3kbg s ALA 102 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3kbg s ALA 102 Cb 0.00 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.64 3kbg s ALA 102 CO 0.00 0.53 1.26 -0.51 0.00 0.00 0.00 175.76 177.04 3kbg s LEU 103 N -2.78 4.42 0.10 0.00 1.43 -1.26 -1.66 118.68 118.93 3kbg s LEU 103 Ca 0.46 2.30 -0.07 0.00 -1.03 0.00 0.00 54.13 55.80 3kbg s LEU 103 Cb -0.11 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 3kbg s LEU 103 CO 0.21 -0.47 0.17 0.68 0.23 0.00 0.00 176.35 177.17 3kbg s VAL 104 N 0.15 0.13 0.00 -1.59 -7.23 -0.14 -4.94 120.40 106.78 3kbg s VAL 104 Ca 0.56 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 3kbg s VAL 104 Cb -0.34 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.06 3kbg s VAL 104 CO 0.37 -0.61 0.00 0.18 -0.31 0.00 0.00 175.10 174.72 3kbg n LEU 105 N -0.07 0.00 -4.80 1.32 4.77 -1.26 -0.74 117.00 116.22 3kbg n LEU 105 Ca -0.12 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 3kbg n LEU 105 Cb 0.62 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 3kbg n LEU 105 CO 0.24 -0.37 -0.20 -0.75 -1.33 0.00 0.00 177.39 174.99 3kbg s LYS 107 N -1.79 3.59 0.06 3.23 2.47 -1.26 -4.91 119.74 121.12 3kbg s LYS 107 Ca 0.00 -0.21 0.07 0.00 -1.56 0.00 0.00 55.97 54.27 3kbg s LYS 107 Cb 0.00 -3.18 -0.03 0.00 -1.46 0.00 0.00 37.83 33.16 3kbg s LYS 107 CO 0.00 0.62 -0.19 -2.00 0.16 0.00 0.00 175.35 173.94 3kbg s GLU 108 N -0.58 1.19 0.54 4.03 2.56 -0.42 -4.76 118.70 121.26 3kbg s GLU 108 Ca 0.12 -0.97 -0.18 0.00 0.00 0.00 0.00 54.97 53.94 3kbg s GLU 108 Cb -0.12 -1.32 -0.06 0.00 2.00 0.00 0.00 34.13 34.63 3kbg s GLU 108 CO 0.02 0.33 1.04 0.95 -0.56 0.00 0.00 175.26 177.04 3kbg s THR 109 N -0.94 3.87 0.32 -1.70 -4.23 -1.26 -4.39 115.64 107.31 3kbg s THR 109 Ca 0.05 1.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.61 3kbg s THR 109 Cb -0.09 -3.44 0.30 0.00 1.34 0.00 0.00 72.50 70.60 3kbg s THR 109 CO 0.02 -0.41 1.89 0.07 -0.54 0.00 0.00 174.62 175.65 3kbg h LYS 110 N 0.97 0.86 -0.04 3.99 -0.00 -1.98 0.49 116.57 120.88 3kbg h LYS 110 Ca -0.48 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.65 60.11 3kbg h LYS 110 Cb 1.22 -0.19 -0.00 0.00 -0.00 0.00 0.00 32.23 33.25 3kbg h LYS 110 CO 0.58 0.57 -0.01 1.49 -0.00 0.00 0.00 179.45 182.09 3kbg h GLU 111 N 0.89 0.07 0.00 0.07 4.81 -2.02 -2.97 114.58 115.42 3kbg h GLU 111 Ca 0.42 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.55 3kbg h GLU 111 Cb 0.43 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3kbg h GLU 111 CO -0.19 0.42 -0.35 0.00 -0.73 0.00 0.00 179.01 178.16 3kbg h ARG 112 N -0.29 0.00 0.00 1.92 3.08 -1.90 -2.96 114.38 114.23 3kbg h ARG 112 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kbg h ARG 112 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kbg h ARG 112 CO 0.00 0.35 0.00 0.00 -1.07 0.00 0.00 179.97 179.26 3kbg n ALA 113 N -2.32 1.09 -0.80 0.04 0.00 0.15 -4.69 120.51 113.98 3kbg n ALA 113 Ca -0.01 0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 3kbg n ALA 113 Cb 0.47 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.74 3kbg n ALA 113 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kbg n SER 114 N -1.99 6.18 0.00 0.00 3.41 -1.12 -4.82 113.62 115.27 3kbg n SER 114 Ca -0.01 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 3kbg n SER 114 Cb 0.04 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3kbg n SER 114 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3kbg n LYS 116 N 0.43 0.00 -3.87 4.33 4.81 -0.39 -0.97 118.16 122.50 3kbg n LYS 116 Ca 0.27 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.35 3kbg n LYS 116 Cb 0.59 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.57 3kbg n LYS 116 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kbg s LEU 117 N 0.00 4.19 -0.15 3.14 1.43 -1.26 -0.57 118.68 125.46 3kbg s LEU 117 Ca 0.00 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3kbg s LEU 117 Cb 0.00 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3kbg s LEU 117 CO 0.00 0.28 -0.20 -0.76 0.23 0.00 0.00 176.35 175.90 3kbg s LEU 118 N -0.27 2.06 0.05 1.79 1.43 0.60 -4.96 118.68 119.38 3kbg s LEU 118 Ca 0.10 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 3kbg s LEU 118 Cb -0.12 -1.41 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 3kbg s LEU 118 CO 0.01 0.04 0.70 -0.75 0.23 0.00 0.00 176.35 176.58 3kbg s LYS 119 N 1.00 4.42 -0.38 1.70 2.20 -1.26 -0.37 119.74 127.05 3kbg s LYS 119 Ca -0.03 0.94 -0.29 0.00 -0.36 0.00 0.00 55.97 56.24 3kbg s LYS 119 Cb -0.15 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3kbg s LYS 119 CO -0.06 0.39 1.38 0.08 -0.36 0.00 0.00 175.35 176.78 3kbg s VAL 120 N -0.36 3.97 -0.08 4.02 1.01 -0.05 -1.23 120.40 127.69 3kbg s VAL 120 Ca 0.35 1.02 0.21 0.00 0.00 0.00 0.00 61.98 63.56 3kbg s VAL 120 Cb -0.20 -4.20 -0.31 0.00 0.00 0.00 0.00 36.38 31.68 3kbg s VAL 120 CO 0.21 -0.69 0.41 -1.14 0.00 0.00 0.00 175.10 173.89 3kbg n ARG 121 N 7.87 0.66 -3.66 2.72 0.63 0.10 -0.52 116.66 124.46 3kbg n ARG 121 Ca 0.16 -0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 56.82 3kbg n ARG 121 Cb 0.48 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.79 3kbg n ARG 121 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3kbg s SER 122 N -4.79 -0.28 0.00 6.15 1.04 -0.92 -4.93 113.70 109.97 3kbg s SER 122 Ca -0.08 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 3kbg s SER 122 Cb 0.12 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 3kbg s SER 122 CO 0.89 -0.67 0.03 -0.54 0.98 0.00 0.00 173.24 173.92 3kbg s LYS 123 N -2.52 0.22 -0.17 4.02 1.02 -1.26 -0.90 119.74 120.16 3kbg s LYS 123 Ca -0.05 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 55.68 3kbg s LYS 123 Cb -0.01 0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.41 3kbg s LYS 123 CO -0.03 -0.04 -0.19 0.08 -0.92 0.00 0.00 175.35 174.26 3kbg s VAL 124 N -0.77 1.93 -0.28 3.17 1.01 -0.61 -4.98 120.40 119.87 3kbg s VAL 124 Ca -0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 3kbg s VAL 124 Cb -0.05 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.59 3kbg s VAL 124 CO -0.00 0.52 0.02 -0.63 0.00 0.00 0.00 175.10 175.01 3kbg s ILE 125 N 1.30 3.51 0.53 2.22 1.01 -1.26 -1.17 121.20 127.34 3kbg s ILE 125 Ca 0.04 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.90 3kbg s ILE 125 Cb -0.13 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.57 3kbg s ILE 125 CO -0.12 0.11 0.47 0.00 0.00 0.00 0.00 174.94 175.40 3kbg s ALA 126 N 1.42 4.42 0.82 9.38 0.00 -0.34 -5.02 121.76 132.44 3kbg s ALA 126 Ca 0.01 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.34 3kbg s ALA 126 Cb -0.17 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 22.15 3kbg s ALA 126 CO -0.00 -0.49 1.20 -2.30 0.00 0.00 0.00 175.76 174.17 3kbg n PRO 127 N -1.81 0.11 -3.14 0.00 -0.02 -1.26 -3.37 135.00 125.51 3kbg n PRO 127 Ca 0.02 0.12 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 3kbg n PRO 127 Cb 0.63 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 3kbg n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kbg n GLY 128 N 0.52 -0.44 2.41 -1.23 0.00 -1.26 -2.70 105.19 102.49 3kbg n GLY 128 Ca 0.13 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 3kbg n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kbg n ASN 129 N -2.37 -5.33 -4.52 1.61 3.02 -1.23 -4.92 115.26 101.51 3kbg n ASN 129 Ca -0.07 0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 3kbg n ASN 129 Cb 0.60 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.27 3kbg n ASN 129 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kbg s ARG 130 N -5.03 3.23 -0.16 3.52 6.06 -1.10 -3.88 118.95 121.59 3kbg s ARG 130 Ca 0.00 -0.53 0.01 0.00 -2.50 0.00 0.00 55.73 52.72 3kbg s ARG 130 Cb 0.00 -4.34 0.01 0.00 0.06 0.00 0.00 34.95 30.68 3kbg s ARG 130 CO 0.00 -2.06 -0.20 0.42 -2.50 0.00 0.00 175.30 170.96 3kbg s ILE 131 N 5.15 2.20 -0.20 4.11 1.01 -0.73 -1.20 121.20 131.55 3kbg s ILE 131 Ca 0.33 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 3kbg s ILE 131 Cb -0.09 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3kbg s ILE 131 CO 0.10 0.54 0.59 -1.10 0.00 0.00 0.00 174.94 175.07 3kbg s GLN 132 N 1.02 4.19 -0.26 2.79 -0.21 -0.32 -0.78 119.66 126.09 3kbg s GLN 132 Ca -0.02 0.53 -0.10 0.00 0.02 0.00 0.00 55.36 55.80 3kbg s GLN 132 Cb -0.15 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 3kbg s GLN 132 CO -0.06 -0.23 0.15 -0.51 -2.12 0.00 0.00 175.29 172.52 3kbg s LEU 133 N 1.88 3.88 -0.23 2.90 1.43 0.95 -1.57 118.68 127.92 3kbg s LEU 133 Ca 0.27 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3kbg s LEU 133 Cb -0.16 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 3kbg s LEU 133 CO 0.10 -0.01 0.18 -0.83 0.23 0.00 0.00 176.35 176.01 3kbg s GLY 134 N 1.52 2.00 0.35 -3.19 0.00 -0.07 -1.43 107.32 106.50 3kbg s GLY 134 Ca 0.07 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.00 3kbg s GLY 134 CO 0.07 0.39 0.50 -0.51 0.00 0.00 0.00 173.10 173.56 3kbg s THR 135 N 0.99 4.14 0.43 0.90 -4.23 0.06 -0.72 115.64 117.21 3kbg s THR 135 Ca 0.08 -0.90 0.39 0.00 -1.18 0.00 0.00 61.69 60.09 3kbg s THR 135 Cb -0.13 -3.45 0.41 0.00 1.34 0.00 0.00 72.50 70.66 3kbg s THR 135 CO 0.04 -0.20 2.20 1.12 -0.54 0.00 0.00 174.62 177.24 3kbg h HIS 136 N 0.81 0.00 -0.41 3.99 2.07 -1.49 -0.34 115.15 119.78 3kbg h HIS 136 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3kbg h HIS 136 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 3kbg h HIS 136 CO 0.43 0.01 0.00 -0.40 -3.07 0.00 0.00 177.93 174.90 3kbg n ASP 137 N -3.16 2.64 0.00 3.10 5.75 -1.26 -4.94 116.55 118.69 3kbg n ASP 137 Ca -0.02 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3kbg n ASP 137 Cb 0.17 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3kbg n ASP 137 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kbg n GLY 138 N 1.31 0.70 3.84 6.12 0.00 -0.14 -5.07 105.19 111.95 3kbg n GLY 138 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3kbg n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kbg s ARG 139 N -0.62 3.09 -0.01 1.61 0.52 -1.26 -4.82 118.95 117.46 3kbg s ARG 139 Ca 0.00 0.84 0.04 0.00 -0.52 0.00 0.00 55.73 56.10 3kbg s ARG 139 Cb 0.00 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.44 3kbg s ARG 139 CO 0.00 -0.96 -0.14 0.99 0.02 0.00 0.00 175.30 175.21 3kbg s THR 140 N -3.11 1.09 0.08 0.02 2.01 -1.26 -0.76 115.64 113.71 3kbg s THR 140 Ca 0.57 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.02 3kbg s THR 140 Cb -0.13 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 3kbg s THR 140 CO 0.54 0.28 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.21 3kbg s PHE 141 N -0.37 1.58 -0.20 4.92 0.40 -0.51 -4.97 117.98 118.83 3kbg s PHE 141 Ca 0.05 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3kbg s PHE 141 Cb -0.05 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.57 3kbg s PHE 141 CO -0.00 0.13 -0.05 0.42 0.70 0.00 0.00 175.22 176.42 3kbg s ILE 142 N -1.10 3.44 0.27 0.64 1.01 -1.26 -0.04 121.20 124.17 3kbg s ILE 142 Ca 0.04 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.27 3kbg s ILE 142 Cb -0.10 -2.54 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 3kbg s ILE 142 CO 0.03 0.45 -0.08 0.28 0.00 0.00 0.00 174.94 175.62 3kbg s THR 143 N 1.14 1.72 -0.67 2.92 -1.32 0.04 -4.98 115.64 114.48 3kbg s THR 143 Ca 0.02 -2.15 0.07 0.00 -1.21 0.00 0.00 61.69 58.42 3kbg s THR 143 Cb -0.15 -2.41 0.19 0.00 -1.51 0.00 0.00 72.50 68.62 3kbg s THR 143 CO -0.01 -0.33 1.11 -0.90 -2.21 0.00 0.00 174.62 172.28 3kbg n ASP 144 N -0.57 2.49 -4.50 8.08 5.68 -1.25 -1.77 116.55 124.71 3kbg n ASP 144 Ca -0.06 -1.90 -0.42 0.00 -0.50 0.00 0.00 54.79 51.91 3kbg n ASP 144 Cb 0.63 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 3kbg n ASP 144 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3kbg s ASP 145 N -0.95 6.17 0.00 -1.12 -1.08 -1.26 -4.89 116.67 113.55 3kbg s ASP 145 Ca 0.15 -0.76 0.18 0.00 -0.52 0.00 0.00 52.55 51.59 3kbg s ASP 145 Cb 0.08 -2.48 0.84 0.00 -1.46 0.00 0.00 42.92 39.90 3kbg s ASP 145 CO 0.10 -1.62 1.57 2.29 0.52 0.00 0.00 175.17 178.04 3kbg n LYS 146 N 8.44 0.11 0.17 4.34 2.85 -1.26 -2.93 118.16 129.89 3kbg n LYS 146 Ca -0.00 0.16 0.13 0.00 -1.05 0.00 0.00 58.31 57.55 3kbg n LYS 146 Cb 0.47 -1.50 0.43 0.00 -0.65 0.00 0.00 35.03 33.78 3kbg n LYS 146 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3kbg h SER 147 N 0.00 0.00 -3.18 -5.58 4.64 -2.03 -3.44 113.55 103.95 3kbg h SER 147 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3kbg h SER 147 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3kbg h SER 147 CO 0.00 0.00 0.59 -0.63 -0.87 0.00 0.00 176.83 175.92 3kbg s ILE 148 N -3.30 4.32 0.26 0.95 1.01 -1.15 -5.03 121.20 118.26 3kbg s ILE 148 Ca 0.06 1.66 0.11 0.00 0.00 0.00 0.00 60.65 62.48 3kbg s ILE 148 Cb 0.09 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3kbg s ILE 148 CO 0.55 0.06 -0.17 -0.54 0.00 0.00 0.00 174.94 174.84 3kbg s LYS 149 N 1.65 1.78 0.11 2.79 -0.14 -1.26 -5.05 119.74 119.62 3kbg s LYS 149 Ca 0.56 -1.63 -0.33 0.00 -1.36 0.00 0.00 55.97 53.20 3kbg s LYS 149 Cb -0.25 -1.87 -0.12 0.00 -1.68 0.00 0.00 37.83 33.90 3kbg s LYS 149 CO 0.25 0.35 1.75 0.28 -0.76 0.00 0.00 175.35 177.23 3kbg n VAL 150 N -0.47 0.25 0.00 3.17 0.31 -1.26 -0.86 118.33 119.47 3kbg n VAL 150 Ca -0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3kbg n VAL 150 Cb 0.59 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 3kbg n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kbg n GLY 151 N 3.98 2.51 3.78 2.92 0.00 0.33 -5.02 105.19 113.68 3kbg n GLY 151 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3kbg n GLY 151 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kbg s ASP 152 N -0.58 5.03 -0.03 1.61 1.01 -0.04 -4.78 116.67 118.90 3kbg s ASP 152 Ca 0.00 1.90 0.07 0.00 0.71 0.00 0.00 52.55 55.23 3kbg s ASP 152 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 3kbg s ASP 152 CO 0.00 -1.68 -0.24 -0.69 0.21 0.00 0.00 175.17 172.77 3kbg s VAL 153 N -2.56 1.87 -0.17 -1.27 1.01 -0.12 -0.87 120.40 118.29 3kbg s VAL 153 Ca 0.64 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3kbg s VAL 153 Cb -0.19 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3kbg s VAL 153 CO 0.46 0.53 0.08 -0.76 0.00 0.00 0.00 175.10 175.41 3kbg s LEU 154 N -0.46 3.95 -0.26 3.92 1.43 0.50 0.25 118.68 128.00 3kbg s LEU 154 Ca 0.06 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 3kbg s LEU 154 Cb -0.10 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3kbg s LEU 154 CO -0.00 0.21 0.42 0.00 0.23 0.00 0.00 176.35 177.21 3kbg s ALA 155 N 0.16 3.57 0.18 4.21 0.00 -0.31 -0.29 121.76 129.28 3kbg s ALA 155 Ca 0.06 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.39 3kbg s ALA 155 Cb -0.12 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 3kbg s ALA 155 CO 0.00 -0.66 -0.21 0.14 0.00 0.00 0.00 175.76 175.04 3kbg s VAL 156 N 2.09 2.04 -0.12 0.00 -7.23 0.26 -0.32 120.40 117.12 3kbg s VAL 156 Ca 0.17 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.19 3kbg s VAL 156 Cb -0.16 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3kbg s VAL 156 CO 0.09 -0.23 0.51 -0.55 -0.31 0.00 0.00 175.10 174.62 3kbg s SER 157 N -2.66 6.72 0.10 4.85 0.15 0.03 -1.26 113.70 121.63 3kbg s SER 157 Ca 0.18 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.53 3kbg s SER 157 Cb -0.07 -2.30 -0.07 0.00 -1.71 0.00 0.00 66.02 61.86 3kbg s SER 157 CO 0.08 -0.04 1.45 0.58 1.20 0.00 0.00 173.24 176.51 3kbg h VAL 158 N 4.77 1.30 -0.36 4.45 2.07 -1.37 -3.16 116.25 123.94 3kbg h VAL 158 Ca -0.40 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 65.88 3kbg h VAL 158 Cb 1.18 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3kbg h VAL 158 CO 0.75 0.43 0.32 -0.65 0.02 0.00 0.00 177.57 178.45 3kbg h PRO 159 N 0.43 0.00 0.00 1.57 0.11 -1.90 -3.46 132.00 128.75 3kbg h PRO 159 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3kbg h PRO 159 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3kbg h PRO 159 CO 0.06 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.45 3kbg n ASP 160 N -4.01 0.00 0.00 -2.05 5.68 -1.19 -5.16 116.55 109.82 3kbg n ASP 160 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 3kbg n ASP 160 Cb 0.50 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 3kbg n ASP 160 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3kbg n LYS 162 N -2.45 0.00 -2.64 0.11 3.00 -1.24 -4.97 118.16 109.97 3kbg n LYS 162 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 3kbg n LYS 162 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 3kbg n LYS 162 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3kbg s ILE 163 N 0.00 4.67 -0.17 3.15 1.01 -1.26 -0.79 121.20 127.81 3kbg s ILE 163 Ca 0.00 1.96 0.11 0.00 0.00 0.00 0.00 60.65 62.72 3kbg s ILE 163 Cb 0.00 -4.26 -0.18 0.00 0.01 0.00 0.00 42.46 38.03 3kbg s ILE 163 CO 0.00 -0.05 -0.01 -0.24 0.00 0.00 0.00 174.94 174.64 3kbg n SER 164 N 5.45 1.40 -3.84 3.58 2.88 0.56 -4.99 113.62 118.66 3kbg n SER 164 Ca 0.10 -0.03 -0.11 0.00 -1.33 0.00 0.00 58.87 57.50 3kbg n SER 164 Cb 0.48 0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 64.40 3kbg n SER 164 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3kbg s GLU 165 N -2.40 0.65 -0.18 -1.46 0.41 -1.20 -4.99 118.70 109.54 3kbg s GLU 165 Ca -0.14 -0.56 -0.03 0.00 -0.41 0.00 0.00 54.97 53.84 3kbg s GLU 165 Cb 0.05 0.27 -0.01 0.00 -1.78 0.00 0.00 34.13 32.66 3kbg s GLU 165 CO 0.61 -0.18 -0.07 0.42 -0.49 0.00 0.00 175.26 175.54 3kbg s ILE 166 N -2.26 3.36 -0.39 -1.63 1.01 -1.26 -1.16 121.20 118.87 3kbg s ILE 166 Ca -0.07 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3kbg s ILE 166 Cb -0.03 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.98 3kbg s ILE 166 CO -0.02 0.47 0.32 -0.63 0.00 0.00 0.00 174.94 175.08 3kbg s ILE 167 N 0.87 5.22 0.00 2.92 1.01 0.14 -4.96 121.20 126.41 3kbg s ILE 167 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3kbg s ILE 167 Cb -0.15 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3kbg s ILE 167 CO 0.01 -0.26 0.00 0.29 0.00 0.00 0.00 174.94 174.98 3kbg n LYS 168 N 5.25 0.53 0.00 2.79 4.76 -1.26 -0.94 118.16 129.29 3kbg n LYS 168 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3kbg n LYS 168 Cb 0.48 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 3kbg n LYS 168 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kbg n GLN 170 N 0.00 0.00 -1.67 1.97 10.64 -1.26 -4.84 117.38 122.22 3kbg n GLN 170 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 3kbg n GLN 170 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 3kbg n GLN 170 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 3kbg n PRO 171 N 0.05 1.65 0.00 2.61 -0.02 -1.26 -2.72 135.00 135.30 3kbg n PRO 171 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kbg n PRO 171 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3kbg n PRO 171 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kbg n GLY 172 N 0.97 1.45 3.95 -1.23 0.00 0.41 -4.95 105.19 105.79 3kbg n GLY 172 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3kbg n GLY 172 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kbg s ASN 173 N -2.04 6.33 -0.01 1.61 0.01 -1.10 -4.81 114.94 114.92 3kbg s ASN 173 Ca 0.00 0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 52.41 3kbg s ASN 173 Cb 0.00 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 3kbg s ASN 173 CO 0.00 -0.12 0.11 -0.75 -1.51 0.00 0.00 177.10 174.83 3kbg s LYS 174 N -3.86 3.19 0.13 -0.60 2.20 -0.14 -0.75 119.74 119.91 3kbg s LYS 174 Ca 0.37 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.57 3kbg s LYS 174 Cb -0.10 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 3kbg s LYS 174 CO 0.31 0.66 -0.01 0.00 -0.36 0.00 0.00 175.35 175.95 3kbg s ALA 175 N -1.22 1.06 -0.01 3.13 0.00 0.14 -0.89 121.76 123.98 3kbg s ALA 175 Ca 0.23 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.80 3kbg s ALA 175 Cb -0.12 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3kbg s ALA 175 CO 0.14 -0.33 -0.18 -0.47 0.00 0.00 0.00 175.76 174.92 3kbg s TYR 176 N -3.74 2.56 -0.26 0.00 6.14 0.30 -1.33 117.35 121.03 3kbg s TYR 176 Ca 0.18 -0.26 -0.13 0.00 0.64 0.00 0.00 57.07 57.51 3kbg s TYR 176 Cb 0.06 -1.54 -0.04 0.00 0.42 0.00 0.00 41.96 40.86 3kbg s TYR 176 CO -0.01 0.16 0.27 0.42 0.64 0.00 0.00 175.55 177.03 3kbg s ILE 177 N -0.77 5.27 -1.43 3.14 -1.09 -0.12 -0.33 121.20 125.87 3kbg s ILE 177 Ca 0.12 0.36 0.23 0.00 -2.23 0.00 0.00 60.65 59.13 3kbg s ILE 177 Cb -0.10 -3.60 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 3kbg s ILE 177 CO 0.02 0.24 1.11 0.35 -1.23 0.00 0.00 174.94 175.43 3kbg n THR 178 N 4.81 0.00 -3.84 2.92 -2.24 -0.02 -0.57 114.28 115.35 3kbg n THR 178 Ca -0.12 -0.10 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 3kbg n THR 178 Cb 0.51 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 3kbg n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kbg s ALA 179 N -2.77 -1.23 0.00 6.98 0.00 -1.26 -4.89 121.76 118.59 3kbg s ALA 179 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3kbg s ALA 179 Cb 0.17 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.09 3kbg s ALA 179 CO 0.71 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3kbg n GLY 180 N -0.48 -1.67 0.23 0.00 0.00 -1.26 -3.96 105.19 98.05 3kbg n GLY 180 Ca -0.05 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.76 3kbg n GLY 180 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kbg h SER 181 N 0.00 0.00 -0.59 1.61 4.64 -1.99 -2.73 113.55 114.49 3kbg h SER 181 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kbg h SER 181 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kbg h SER 181 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 3kbg n HIS 182 N -3.07 1.64 -1.65 4.77 -0.00 -1.26 -5.01 115.22 110.64 3kbg n HIS 182 Ca 0.03 -0.61 -0.42 0.00 -0.00 0.00 0.00 57.72 56.72 3kbg n HIS 182 Cb 0.47 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 3kbg n HIS 182 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 3kbg n VAL 183 N 0.90 2.23 -1.23 1.59 3.14 -1.03 -1.91 118.33 122.02 3kbg n VAL 183 Ca 0.25 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 61.05 3kbg n VAL 183 Cb 0.97 -1.33 -0.03 0.00 -1.06 0.00 0.00 33.84 32.39 3kbg n VAL 183 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3kbg n ASN 184 N 0.68 -4.28 -4.89 6.55 5.15 0.27 -4.74 115.26 114.01 3kbg n ASN 184 Ca 0.07 0.20 -0.21 0.00 -0.60 0.00 0.00 54.58 54.04 3kbg n ASN 184 Cb 0.37 -2.47 -0.03 0.00 -0.53 0.00 0.00 39.78 37.12 3kbg n ASN 184 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kbg s GLN 185 N -2.44 2.93 0.25 1.20 -0.21 -0.80 -4.93 119.66 115.66 3kbg s GLN 185 Ca 0.00 -1.12 0.07 0.00 0.02 0.00 0.00 55.36 54.33 3kbg s GLN 185 Cb 0.00 -2.61 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 3kbg s GLN 185 CO 0.00 0.20 -0.10 0.95 -2.12 0.00 0.00 175.29 174.22 3kbg s THR 186 N -2.20 1.74 0.12 -0.19 -4.23 -1.26 -0.95 115.64 108.66 3kbg s THR 186 Ca 0.39 -2.18 -0.25 0.00 -1.18 0.00 0.00 61.69 58.47 3kbg s THR 186 Cb -0.07 -2.28 0.08 0.00 1.34 0.00 0.00 72.50 71.57 3kbg s THR 186 CO 0.27 -0.42 1.08 -0.83 -0.54 0.00 0.00 174.62 174.18 3kbg s GLY 187 N -3.40 -0.14 -0.13 3.99 0.00 -0.44 -4.99 107.32 102.21 3kbg s GLY 187 Ca 0.27 0.07 -0.00 0.00 0.00 0.00 0.00 44.72 45.06 3kbg s GLY 187 CO 0.10 1.28 -0.13 -1.59 0.00 0.00 0.00 173.10 172.76 3kbg s THR 188 N -2.63 3.04 0.17 0.90 2.01 -1.26 -0.68 115.64 117.19 3kbg s THR 188 Ca 0.17 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 3kbg s THR 188 Cb -0.00 -2.28 -0.09 0.00 0.01 0.00 0.00 72.50 70.14 3kbg s THR 188 CO 0.02 0.53 1.40 -0.63 -0.69 0.00 0.00 174.62 175.24 3kbg s ILE 189 N 0.33 3.09 -0.19 1.82 1.01 0.07 -0.50 121.20 126.83 3kbg s ILE 189 Ca -0.11 0.83 0.10 0.00 0.00 0.00 0.00 60.65 61.47 3kbg s ILE 189 Cb -0.16 -3.53 -0.18 0.00 0.01 0.00 0.00 42.46 38.60 3kbg s ILE 189 CO 0.06 0.09 -0.04 -1.54 0.00 0.00 0.00 174.94 173.51 3kbg n SER 190 N 3.29 1.40 -3.51 3.58 3.41 0.59 -0.44 113.62 121.94 3kbg n SER 190 Ca 0.09 -0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.50 3kbg n SER 190 Cb 0.42 0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 64.73 3kbg n SER 190 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3kbg s LYS 191 N -2.42 1.05 -0.06 4.33 -2.85 -1.12 -4.87 119.74 113.81 3kbg s LYS 191 Ca -0.17 0.11 0.02 0.00 -1.00 0.00 0.00 55.97 54.93 3kbg s LYS 191 Cb 0.06 0.49 0.01 0.00 -2.06 0.00 0.00 37.83 36.34 3kbg s LYS 191 CO 0.62 -0.36 -0.12 0.42 0.10 0.00 0.00 175.35 176.01 3kbg s ILE 192 N -1.68 1.10 -0.14 3.79 1.01 -1.26 -0.50 121.20 123.51 3kbg s ILE 192 Ca -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 3kbg s ILE 192 Cb -0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 3kbg s ILE 192 CO 0.05 0.34 -0.11 -1.61 0.00 0.00 0.00 174.94 173.61 3kbg s GLU 193 N 0.55 3.42 -0.03 2.79 2.02 -0.43 -5.04 118.70 121.99 3kbg s GLU 193 Ca -0.12 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.23 3kbg s GLU 193 Cb -0.14 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.39 3kbg s GLU 193 CO 0.03 0.17 -0.09 0.00 0.02 0.00 0.00 175.26 175.40 3kbg s ALA 194 N 0.46 0.83 0.18 5.21 0.00 -1.26 -2.01 121.76 125.17 3kbg s ALA 194 Ca -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.57 3kbg s ALA 194 Cb -0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3kbg s ALA 194 CO 0.04 0.13 0.04 0.21 0.00 0.00 0.00 175.76 176.19 3kbg s LYS 195 N 0.21 1.12 -0.00 0.00 2.47 -1.26 -4.88 119.74 117.40 3kbg s LYS 195 Ca -0.03 -1.56 -0.19 0.00 -1.56 0.00 0.00 55.97 52.63 3kbg s LYS 195 Cb -0.08 -0.09 -0.05 0.00 -1.46 0.00 0.00 37.83 36.14 3kbg s LYS 195 CO 0.00 -0.21 0.54 -2.00 0.16 0.00 0.00 175.35 173.84 3kbg s GLU 196 N -3.99 4.24 0.00 4.03 2.12 -1.26 -4.74 118.70 119.09 3kbg s GLU 196 Ca 0.28 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.25 3kbg s GLU 196 Cb 0.07 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3kbg s GLU 196 CO 0.06 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 3kbg n GLY 197 N 2.33 -2.21 2.34 -1.50 0.00 -1.26 -5.18 105.19 99.71 3kbg n GLY 197 Ca -0.09 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 3kbg n GLY 197 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kbg n SER 198 N 0.00 -4.97 0.00 1.61 7.64 -1.26 -5.26 113.62 111.38 3kbg n SER 198 Ca 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3kbg n SER 198 Cb 0.00 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 3kbg n SER 198 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kbg n ASN 201 N -1.23 0.00 -4.62 6.43 3.02 -0.85 -4.97 115.26 113.04 3kbg n ASN 201 Ca -0.19 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.01 3kbg n ASN 201 Cb 0.65 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 3kbg n ASN 201 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kbg s LEU 202 N -1.28 3.46 -0.19 3.41 1.43 -0.99 -2.54 118.68 121.98 3kbg s LEU 202 Ca 0.00 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3kbg s LEU 202 Cb 0.00 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3kbg s LEU 202 CO 0.00 0.31 0.01 -0.69 0.23 0.00 0.00 176.35 176.22 3kbg s VAL 203 N -0.49 4.18 0.03 -1.59 1.01 0.59 -1.31 120.40 122.83 3kbg s VAL 203 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3kbg s VAL 203 Cb -0.12 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3kbg s VAL 203 CO 0.02 0.44 0.14 -1.00 0.00 0.00 0.00 175.10 174.71 3kbg s HIS 204 N 0.73 3.40 0.04 5.22 3.76 0.34 -1.18 115.29 127.60 3kbg s HIS 204 Ca 0.01 0.23 0.08 0.00 -0.15 0.00 0.00 55.06 55.22 3kbg s HIS 204 Cb -0.14 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 3kbg s HIS 204 CO 0.02 0.58 -0.22 -0.06 -0.85 0.00 0.00 174.74 174.21 3kbg s PHE 205 N -1.36 1.93 0.36 1.40 0.40 0.52 -0.30 117.98 120.93 3kbg s PHE 205 Ca 0.29 -0.38 0.16 0.00 -0.60 0.00 0.00 56.93 56.40 3kbg s PHE 205 Cb -0.12 -1.15 1.07 0.00 0.51 0.00 0.00 43.02 43.32 3kbg s PHE 205 CO 0.21 0.10 1.71 1.96 0.70 0.00 0.00 175.22 179.90 3kbg h GLN 206 N 4.86 0.39 0.00 0.44 4.20 -1.08 0.06 115.11 123.98 3kbg h GLN 206 Ca -0.43 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3kbg h GLN 206 Cb 1.16 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3kbg h GLN 206 CO 0.44 0.26 0.00 0.39 -0.67 0.00 0.00 178.83 179.25 3kbg n GLU 207 N -4.82 0.26 -1.06 1.46 4.71 -1.26 -4.86 120.64 115.07 3kbg n GLU 207 Ca 0.29 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 3kbg n GLU 207 Cb 0.92 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.85 3kbg n GLU 207 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kbg n GLY 208 N -0.33 1.14 3.33 0.62 0.00 0.01 -5.09 105.19 104.86 3kbg n GLY 208 Ca 0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3kbg n GLY 208 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kbg s PHE 209 N -2.09 1.04 0.04 1.61 -0.71 -1.24 -4.99 117.98 111.64 3kbg s PHE 209 Ca 0.00 -1.26 -0.01 0.00 -1.04 0.00 0.00 56.93 54.62 3kbg s PHE 209 Cb 0.00 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.42 3kbg s PHE 209 CO 0.00 -0.80 -0.01 -1.54 -1.34 0.00 0.00 175.22 171.52 3kbg s SER 210 N -3.16 0.36 0.23 1.98 1.04 -1.26 -0.36 113.70 112.53 3kbg s SER 210 Ca 0.35 -0.76 -0.08 0.00 0.48 0.00 0.00 55.95 55.93 3kbg s SER 210 Cb 0.04 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 3kbg s SER 210 CO 0.14 -0.48 0.34 0.42 0.98 0.00 0.00 173.24 174.63 3kbg s THR 211 N -2.89 0.00 0.68 2.02 -4.23 -0.32 -4.95 115.64 105.94 3kbg s THR 211 Ca -0.03 -1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 58.72 3kbg s THR 211 Cb 0.00 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.55 3kbg s THR 211 CO -0.06 -0.01 1.08 0.27 -0.54 0.00 0.00 174.62 175.36 3kbg s ILE 212 N -4.07 3.56 0.51 2.99 -4.36 -1.26 -0.30 121.20 118.27 3kbg s ILE 212 Ca 0.29 0.62 0.17 0.00 -0.26 0.00 0.00 60.65 61.47 3kbg s ILE 212 Cb 0.02 -3.18 0.29 0.00 1.25 0.00 0.00 42.46 40.85 3kbg s ILE 212 CO 0.10 -0.55 2.12 0.11 0.24 0.00 0.00 174.94 176.95 3kbg h LYS 213 N -0.35 0.04 -0.06 0.37 1.57 -1.85 -1.94 116.57 114.35 3kbg h LYS 213 Ca -0.45 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.34 3kbg h LYS 213 Cb 1.23 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 3kbg h LYS 213 CO 0.55 0.02 0.05 -0.44 -0.57 0.00 0.00 179.45 179.06 3kbg h ASP 214 N 0.04 0.00 0.05 0.86 5.19 -1.91 -1.45 116.42 119.20 3kbg h ASP 214 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3kbg h ASP 214 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3kbg h ASP 214 CO -0.00 0.00 -0.10 1.41 -3.12 0.00 0.00 179.24 177.43 3kbg n HIS 215 N -4.43 0.00 -3.60 4.55 8.25 -0.73 -4.89 115.22 114.37 3kbg n HIS 215 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 3kbg n HIS 215 Cb 0.15 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.12 3kbg n HIS 215 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kbg s VAL 216 N -2.16 5.20 0.00 1.59 1.01 -0.55 -0.84 120.40 124.65 3kbg s VAL 216 Ca 0.32 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3kbg s VAL 216 Cb 0.20 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3kbg s VAL 216 CO 0.39 0.22 0.00 0.33 0.00 0.00 0.00 175.10 176.05 3kbg n PHE 217 N 5.05 0.00 0.00 5.22 -0.00 0.55 -4.97 117.46 123.31 3kbg n PHE 217 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 3kbg n PHE 217 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.00 3kbg n PHE 217 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 3kbg n ILE 219 N 0.00 0.00 -3.61 -2.13 -5.35 -0.07 -0.54 119.36 107.66 3kbg n ILE 219 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 3kbg n ILE 219 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 3kbg n ILE 219 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kbg s GLY 220 N 0.00 -0.43 0.15 3.28 0.00 -0.99 -0.60 107.32 108.73 3kbg s GLY 220 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 44.72 45.77 3kbg s GLY 220 CO 0.00 0.73 0.06 -1.14 0.00 0.00 0.00 173.10 172.75 3kbg n SER 221 N 1.22 0.94 -0.17 1.64 3.41 0.23 -0.97 113.62 119.92 3kbg n SER 221 Ca -0.19 -1.80 -0.01 0.00 -0.26 0.00 0.00 58.87 56.61 3kbg n SER 221 Cb 0.57 0.40 0.22 0.00 -0.26 0.00 0.00 64.21 65.14 3kbg n SER 221 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kbg h SER 222 N 0.61 0.81 0.69 4.04 0.02 -2.02 -3.20 113.55 114.50 3kbg h SER 222 Ca -0.11 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3kbg h SER 222 Cb 0.45 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3kbg h SER 222 CO 0.18 0.69 -1.03 0.29 -1.14 0.00 0.00 176.83 175.82 3kbg n LYS 223 N -4.35 0.44 -3.68 3.45 4.01 -1.26 -4.93 118.16 111.84 3kbg n LYS 223 Ca 0.06 0.04 -0.11 0.00 -0.51 0.00 0.00 58.31 57.80 3kbg n LYS 223 Cb 0.13 -1.69 -0.09 0.00 -0.51 0.00 0.00 35.03 32.87 3kbg n LYS 223 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 3kbg s PHE 224 N -3.28 -0.72 -0.02 2.13 5.36 -1.21 -5.16 117.98 115.08 3kbg s PHE 224 Ca 0.02 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 3kbg s PHE 224 Cb 0.12 0.34 0.02 0.00 -0.34 0.00 0.00 43.02 43.16 3kbg s PHE 224 CO 0.79 -0.37 0.00 -1.12 -1.46 0.00 0.00 175.22 173.06 3kbg s SER 225 N 1.05 0.25 0.45 6.13 0.01 -1.26 0.77 113.70 121.10 3kbg s SER 225 Ca -0.06 -0.01 0.13 0.00 1.31 0.00 0.00 55.95 57.32 3kbg s SER 225 Cb -0.06 -0.12 1.03 0.00 0.21 0.00 0.00 66.02 67.09 3kbg s SER 225 CO -0.10 -0.07 2.04 0.15 0.41 0.00 0.00 173.24 175.67 3kbg h PHE 226 N 6.89 0.12 -0.03 2.43 3.57 -1.27 -3.49 116.94 125.16 3kbg h PHE 226 Ca -0.38 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3kbg h PHE 226 Cb 1.15 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3kbg h PHE 226 CO 0.48 0.18 0.00 0.28 -2.23 0.00 0.00 178.31 177.01