#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcg n PRO 4 N 0.00 2.42 -1.72 4.33 -0.04 -1.26 -4.92 135.00 133.81 3kcg n PRO 4 Ca 0.00 -1.57 -0.42 0.00 -0.04 0.00 0.00 63.50 61.47 3kcg n PRO 4 Cb 0.00 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 30.95 3kcg n PRO 4 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kcg s VAL 5 N 2.94 2.40 -0.53 0.52 1.01 -1.26 -4.95 120.40 120.52 3kcg s VAL 5 Ca 0.48 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.32 3kcg s VAL 5 Cb 0.13 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.56 3kcg s VAL 5 CO -0.04 0.00 0.61 -0.62 0.00 0.00 0.00 175.10 175.05 3kcg s ASP 6 N 2.26 6.20 0.42 3.32 2.15 -1.26 -4.94 116.67 124.82 3kcg s ASP 6 Ca 0.79 -1.18 0.17 0.00 0.43 0.00 0.00 52.55 52.76 3kcg s ASP 6 Cb -0.47 -2.27 1.07 0.00 -0.30 0.00 0.00 42.92 40.95 3kcg s ASP 6 CO 0.35 -0.92 1.87 -0.29 -0.17 0.00 0.00 175.17 176.01 3kcg h ILE 7 N 5.87 0.71 0.00 4.11 6.09 -1.92 -1.61 117.51 130.76 3kcg h ILE 7 Ca -0.28 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3kcg h ILE 7 Cb 1.09 0.26 0.00 0.00 0.47 0.00 0.00 36.82 38.65 3kcg h ILE 7 CO 1.00 0.08 0.00 0.00 -3.07 0.00 0.00 178.15 176.15 3kcg n THR 9 N -2.03 1.14 -3.12 0.00 -2.24 -0.64 -5.00 114.28 102.39 3kcg n THR 9 Ca 0.02 -1.36 -0.22 0.00 -2.27 0.00 0.00 64.05 60.22 3kcg n THR 9 Cb 0.18 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 3kcg n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kcg s ALA 10 N -1.72 3.88 0.10 6.98 0.00 -1.02 -5.00 121.76 124.98 3kcg s ALA 10 Ca 0.19 -1.17 0.09 0.00 0.00 0.00 0.00 51.96 51.07 3kcg s ALA 10 Cb 0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 3kcg s ALA 10 CO 0.02 -0.29 -0.19 0.15 0.00 0.00 0.00 175.76 175.45 3kcg s LYS 11 N -4.45 1.81 0.33 0.00 -0.14 -1.26 -5.03 119.74 111.00 3kcg s LYS 11 Ca 0.47 -1.15 0.12 0.00 -1.36 0.00 0.00 55.97 54.05 3kcg s LYS 11 Cb -0.10 -2.10 0.96 0.00 -1.68 0.00 0.00 37.83 34.91 3kcg s LYS 11 CO 0.36 0.49 1.72 -1.35 -0.76 0.00 0.00 175.35 175.81 3kcg h PRO 12 N 3.96 0.48 0.00 -1.68 0.11 -1.99 0.12 132.00 133.01 3kcg h PRO 12 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kcg h PRO 12 Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kcg h PRO 12 CO 0.45 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 3kcg h ARG 13 N 0.50 0.00 -0.55 1.05 3.08 -2.01 -3.22 114.38 113.22 3kcg h ARG 13 Ca 0.66 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.75 3kcg h ARG 13 Cb 1.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.39 3kcg h ARG 13 CO -0.49 0.00 0.31 -0.44 -1.07 0.00 0.00 179.97 178.28 3kcg h ASP 14 N 0.00 0.47 -3.57 7.04 3.32 -1.15 -3.35 116.42 119.19 3kcg h ASP 14 Ca 0.00 0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.45 3kcg h ASP 14 Cb 0.65 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 39.72 3kcg h ASP 14 CO 0.00 0.33 -0.72 -0.63 -1.72 0.00 0.00 179.24 176.49 3kcg s ILE 15 N -6.13 1.59 -0.27 0.35 -1.09 -1.22 -5.06 121.20 109.38 3kcg s ILE 15 Ca -0.13 -2.73 -0.40 0.00 -2.23 0.00 0.00 60.65 55.16 3kcg s ILE 15 Cb 0.14 -2.11 -0.16 0.00 -1.58 0.00 0.00 42.46 38.76 3kcg s ILE 15 CO 0.74 -0.90 1.72 -2.65 -1.23 0.00 0.00 174.94 172.63 3kcg n PRO 16 N 3.41 1.11 -2.74 2.79 -0.02 -1.26 -4.86 135.00 133.43 3kcg n PRO 16 Ca 0.09 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.94 3kcg n PRO 16 Cb 0.35 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.80 3kcg n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kcg n MET 17 N 5.18 1.42 -2.03 -0.52 0.00 -1.26 -5.06 117.12 114.84 3kcg n MET 17 Ca 0.26 -3.03 -0.38 0.00 0.00 0.00 0.00 57.70 54.55 3kcg n MET 17 Cb 0.13 -1.13 0.01 0.00 0.00 0.00 0.00 33.22 32.23 3kcg n MET 17 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3kcg s ASN 18 N -3.04 5.89 0.77 3.17 -0.87 -1.26 -5.01 114.94 114.59 3kcg s ASN 18 Ca 0.25 2.57 -0.11 0.00 -1.57 0.00 0.00 52.86 53.99 3kcg s ASN 18 Cb 0.39 -2.62 0.05 0.00 -0.02 0.00 0.00 41.25 39.05 3kcg s ASN 18 CO -0.02 -1.13 1.09 -2.16 -2.57 0.00 0.00 177.10 172.31 3kcg s PRO 19 N -2.64 2.33 0.20 -0.60 0.04 -1.26 -4.97 135.00 128.09 3kcg s PRO 19 Ca 0.64 0.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.25 3kcg s PRO 19 Cb -0.35 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.37 3kcg s PRO 19 CO 0.43 -1.44 1.59 1.98 0.04 0.00 0.00 177.00 179.60 3kcg h MET 20 N -0.96 0.80 -5.54 4.56 4.05 -1.90 -3.44 114.93 112.51 3kcg h MET 20 Ca -0.46 -0.35 -0.44 0.00 -0.28 0.00 0.00 59.70 58.16 3kcg h MET 20 Cb 1.26 -0.02 -0.21 0.00 -0.80 0.00 0.00 31.60 31.83 3kcg h MET 20 CO 0.60 0.98 -0.78 0.00 0.23 0.00 0.00 176.91 177.94 3kcg s ILE 22 N -1.46 2.24 -0.06 0.00 -4.36 -1.26 -4.94 121.20 111.36 3kcg s ILE 22 Ca 0.02 -2.33 0.03 0.00 -0.26 0.00 0.00 60.65 58.11 3kcg s ILE 22 Cb -0.09 -2.26 -0.02 0.00 1.25 0.00 0.00 42.46 41.33 3kcg s ILE 22 CO 0.03 -0.43 -0.14 -0.47 0.24 0.00 0.00 174.94 174.16 3kcg s TYR 23 N -2.66 2.71 -0.14 1.37 6.14 -1.26 -4.98 117.35 118.54 3kcg s TYR 23 Ca 0.28 -0.20 -0.02 0.00 0.64 0.00 0.00 57.07 57.77 3kcg s TYR 23 Cb -0.03 -1.65 0.05 0.00 0.42 0.00 0.00 41.96 40.75 3kcg s TYR 23 CO 0.13 0.15 0.03 1.03 0.64 0.00 0.00 175.55 177.52 3kcg s ARG 24 N -0.63 0.57 0.51 4.97 1.81 -1.26 -4.93 118.95 120.00 3kcg s ARG 24 Ca 0.09 -0.16 -0.22 0.00 -1.72 0.00 0.00 55.73 53.72 3kcg s ARG 24 Cb -0.11 -1.59 -0.06 0.00 -0.45 0.00 0.00 34.95 32.74 3kcg s ARG 24 CO 0.01 -0.50 1.30 -1.54 -0.68 0.00 0.00 175.30 173.90 3kcg s SER 25 N 1.94 5.61 0.35 0.23 1.04 -1.26 -4.91 113.70 116.69 3kcg s SER 25 Ca 0.02 2.63 0.06 0.00 0.48 0.00 0.00 55.95 59.15 3kcg s SER 25 Cb -0.15 -2.63 0.74 0.00 0.10 0.00 0.00 66.02 64.08 3kcg s SER 25 CO -0.07 -1.33 1.90 -0.65 0.98 0.00 0.00 173.24 174.08 3kcg h PRO 26 N 1.73 0.76 0.00 4.02 0.11 -2.00 -3.54 132.00 133.07 3kcg h PRO 26 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3kcg h PRO 26 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kcg h PRO 26 CO 0.59 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 3kcg n GLU 27 N -4.52 0.00 0.00 1.05 -0.00 -1.26 -5.33 120.64 110.58 3kcg n GLU 27 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.31 3kcg n GLU 27 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.78 3kcg n GLU 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kcg n GLN 38 N 0.00 0.00 -3.19 3.44 10.64 -1.26 -5.16 117.38 121.85 3kcg n GLN 38 Ca 0.00 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.86 3kcg n GLN 38 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.33 3kcg n GLN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3kcg s LYS 39 N 0.00 3.85 0.20 2.61 -0.14 -1.26 -5.02 119.74 119.98 3kcg s LYS 39 Ca 0.00 0.42 -0.33 0.00 -1.36 0.00 0.00 55.97 54.71 3kcg s LYS 39 Cb 0.00 -2.52 -0.13 0.00 -1.68 0.00 0.00 37.83 33.50 3kcg s LYS 39 CO 0.00 0.17 1.61 1.51 -0.76 0.00 0.00 175.35 177.88 3kcg n ILE 40 N -0.56 0.21 -0.90 2.17 3.06 -1.26 -4.95 119.36 117.13 3kcg n ILE 40 Ca 0.02 -0.05 -0.33 0.00 -2.50 0.00 0.00 62.75 59.89 3kcg n ILE 40 Cb 0.53 -1.71 0.14 0.00 0.54 0.00 0.00 39.64 39.13 3kcg n ILE 40 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 3kcg n PRO 41 N 3.31 -0.13 -2.06 9.51 -0.02 -1.26 -4.94 135.00 139.40 3kcg n PRO 41 Ca 0.15 0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 3kcg n PRO 41 Cb 0.32 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 3kcg n PRO 41 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kcg s GLU 42 N -4.13 4.20 -1.53 -0.52 -6.30 -1.26 -3.44 118.70 105.72 3kcg s GLU 42 Ca 0.68 2.23 -0.04 0.00 -2.50 0.00 0.00 54.97 55.33 3kcg s GLU 42 Cb -0.26 -2.95 0.04 0.00 0.00 0.00 0.00 34.13 30.96 3kcg s GLU 42 CO 0.57 -0.33 0.34 0.00 0.02 0.00 0.00 175.26 175.86 3kcg n ALA 43 N 0.53 -1.84 -2.55 6.30 0.00 -1.26 -4.95 120.51 116.73 3kcg n ALA 43 Ca 0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.93 3kcg n ALA 43 Cb 0.42 -1.62 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 3kcg n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kcg s THR 44 N -3.96 1.35 -0.10 0.00 2.01 -1.22 -5.10 115.64 108.63 3kcg s THR 44 Ca 0.17 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 3kcg s THR 44 Cb -0.09 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3kcg s THR 44 CO 0.94 0.38 1.33 0.21 -0.69 0.00 0.00 174.62 176.80 3kcg s ASN 45 N -0.35 6.91 0.47 3.53 3.84 -1.26 -4.90 114.94 123.18 3kcg s ASN 45 Ca 0.05 1.87 0.16 0.00 0.21 0.00 0.00 52.86 55.16 3kcg s ASN 45 Cb -0.07 -2.55 1.16 0.00 -0.55 0.00 0.00 41.25 39.24 3kcg s ASN 45 CO -0.00 -0.74 2.03 -0.09 -2.79 0.00 0.00 177.10 175.51 3kcg h ARG 46 N 8.17 0.22 -0.34 0.43 2.43 -1.99 -1.65 114.38 121.66 3kcg h ARG 46 Ca -0.32 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.70 3kcg h ARG 46 Cb 1.14 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3kcg h ARG 46 CO 0.94 0.15 -0.34 0.00 -1.51 0.00 0.00 179.97 179.21 3kcg h ARG 47 N 0.23 0.77 -0.48 0.20 3.08 -2.00 -0.83 114.38 115.35 3kcg h ARG 47 Ca 0.20 -0.37 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 3kcg h ARG 47 Cb 0.48 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3kcg h ARG 47 CO -0.04 0.99 -0.13 0.28 -1.07 0.00 0.00 179.97 180.00 3kcg h VAL 48 N 0.64 1.27 -0.36 2.04 2.07 -1.67 -2.44 116.25 117.79 3kcg h VAL 48 Ca 0.07 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 3kcg h VAL 48 Cb 0.88 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3kcg h VAL 48 CO 0.08 0.43 0.07 -0.25 0.02 0.00 0.00 177.57 177.92 3kcg h TRP 49 N 0.81 0.62 0.00 1.57 7.01 -1.07 -1.11 115.95 123.77 3kcg h TRP 49 Ca 0.13 -0.08 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 3kcg h TRP 49 Cb 0.66 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3kcg h TRP 49 CO 0.04 0.63 -0.28 1.05 -2.79 0.00 0.00 178.44 177.08 3kcg h GLU 50 N 0.43 0.00 -0.24 2.65 4.11 -1.05 -1.23 114.58 119.25 3kcg h GLU 50 Ca 0.11 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.36 3kcg h GLU 50 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kcg h GLU 50 CO 0.00 0.28 -0.55 1.25 0.07 0.00 0.00 179.01 180.06 3kcg h LEU 51 N 0.00 0.90 -0.86 3.06 5.85 -1.17 -1.86 115.31 121.22 3kcg h LEU 51 Ca -0.00 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 3kcg h LEU 51 Cb 0.52 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3kcg h LEU 51 CO 0.04 1.30 0.41 -1.28 -0.34 0.00 0.00 178.44 178.56 3kcg h SER 52 N 0.55 1.12 -0.42 1.25 0.87 -0.64 -1.58 113.55 114.70 3kcg h SER 52 Ca -0.00 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 3kcg h SER 52 Cb 1.17 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 3kcg h SER 52 CO 0.12 0.94 -0.01 0.11 -0.53 0.00 0.00 176.83 177.46 3kcg h LYS 53 N 1.22 0.83 -0.64 2.24 1.57 -1.13 -2.61 116.57 118.05 3kcg h LYS 53 Ca 0.29 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3kcg h LYS 53 Cb 0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3kcg h LYS 53 CO -0.04 0.84 0.17 0.00 -0.57 0.00 0.00 179.45 179.85 3kcg h ALA 54 N 1.22 0.84 -0.98 3.86 0.00 -0.79 -2.59 119.26 120.82 3kcg h ALA 54 Ca 0.15 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kcg h ALA 54 Cb 0.48 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3kcg h ALA 54 CO 0.02 0.54 0.64 -0.97 0.00 0.00 0.00 179.25 179.48 3kcg h ASN 55 N 0.94 1.05 -0.44 0.00 -1.24 -0.98 -1.13 115.58 113.78 3kcg h ASN 55 Ca 0.20 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.14 3kcg h ASN 55 Cb 0.34 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3kcg h ASN 55 CO -0.00 0.72 0.03 0.28 -1.29 0.00 0.00 177.43 177.16 3kcg h SER 56 N 1.22 0.79 -0.54 1.15 0.02 -1.14 0.41 113.55 115.47 3kcg h SER 56 Ca 0.39 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3kcg h SER 56 Cb 0.03 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3kcg h SER 56 CO -0.13 0.84 0.09 0.03 -1.14 0.00 0.00 176.83 176.52 3kcg h ARG 57 N 0.78 0.89 -0.32 3.45 3.08 -0.98 -2.51 114.38 118.77 3kcg h ARG 57 Ca 0.16 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3kcg h ARG 57 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kcg h ARG 57 CO 0.02 0.86 0.03 0.35 -1.07 0.00 0.00 179.97 180.16 3kcg h PHE 58 N 0.78 0.58 -0.51 3.04 3.57 -0.80 -3.23 116.94 120.37 3kcg h PHE 58 Ca 0.17 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.68 3kcg h PHE 58 Cb 0.40 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 3kcg h PHE 58 CO 0.03 0.63 0.02 0.00 -2.23 0.00 0.00 178.31 176.76 3kcg h ALA 59 N 0.87 0.50 -0.36 2.41 0.00 0.08 0.23 119.26 122.98 3kcg h ALA 59 Ca 0.09 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kcg h ALA 59 Cb 0.38 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kcg h ALA 59 CO 0.01 -0.38 0.22 1.15 0.00 0.00 0.00 179.25 180.25 3kcg h THR 60 N 0.13 1.12 -0.22 0.00 2.02 -1.50 -0.76 112.91 113.70 3kcg h THR 60 Ca 0.26 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3kcg h THR 60 Cb 0.39 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3kcg h THR 60 CO -0.41 0.12 -0.03 0.74 0.37 0.00 0.00 175.52 176.31 3kcg h THR 61 N 0.47 1.27 -0.66 3.16 2.02 -1.48 -3.07 112.91 114.62 3kcg h THR 61 Ca 0.13 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3kcg h THR 61 Cb 0.00 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3kcg h THR 61 CO -0.02 0.30 0.37 0.15 0.37 0.00 0.00 175.52 176.68 3kcg h PHE 62 N 0.16 0.89 -0.89 3.16 3.57 -0.84 -2.90 116.94 120.09 3kcg h PHE 62 Ca 0.06 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3kcg h PHE 62 Cb 0.46 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 3kcg h PHE 62 CO 0.04 0.62 0.56 -0.92 -2.23 0.00 0.00 178.31 176.39 3kcg h TYR 63 N 0.89 1.04 -0.21 0.41 5.03 -1.12 0.55 116.97 123.56 3kcg h TYR 63 Ca 0.23 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.50 3kcg h TYR 63 Cb 0.02 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 37.95 3kcg h TYR 63 CO -0.01 0.55 -0.19 1.96 -1.32 0.00 0.00 178.16 179.15 3kcg h GLN 64 N 1.04 0.36 -0.06 1.82 4.20 -1.42 0.20 115.11 121.26 3kcg h GLN 64 Ca 0.38 -0.11 -0.22 0.00 0.06 0.00 0.00 58.65 58.76 3kcg h GLN 64 Cb 0.12 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3kcg h GLN 64 CO -0.16 0.55 -0.85 0.45 -0.67 0.00 0.00 178.83 178.15 3kcg h HIS 65 N 0.33 0.75 -0.13 2.96 3.86 -1.21 -2.56 115.15 119.15 3kcg h HIS 65 Ca 0.06 -0.37 -0.02 0.00 -1.16 0.00 0.00 60.37 58.88 3kcg h HIS 65 Cb 0.53 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 3kcg h HIS 65 CO 0.01 1.17 -0.02 1.25 0.86 0.00 0.00 177.93 181.21 3kcg h LEU 66 N 0.34 0.24 -0.92 2.43 5.85 -0.48 -2.65 115.31 120.11 3kcg h LEU 66 Ca -0.06 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3kcg h LEU 66 Cb 1.47 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 3kcg h LEU 66 CO 0.16 0.52 0.58 0.00 -0.34 0.00 0.00 178.44 179.36 3kcg h ALA 67 N 0.73 1.24 -0.28 1.25 0.00 -0.66 -1.38 119.26 120.16 3kcg h ALA 67 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kcg h ALA 67 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kcg h ALA 67 CO 0.01 0.39 0.07 -0.44 0.00 0.00 0.00 179.25 179.28 3kcg h ASP 68 N 1.09 0.36 0.75 0.00 5.19 -1.34 -1.71 116.42 120.76 3kcg h ASP 68 Ca 0.39 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 3kcg h ASP 68 Cb 0.11 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3kcg h ASP 68 CO -0.15 0.37 -0.06 -1.54 -3.12 0.00 0.00 179.24 174.74 3kcg n SER 69 N -4.38 0.10 -4.84 6.45 3.41 -0.55 -4.86 113.62 108.94 3kcg n SER 69 Ca 0.01 0.11 -0.25 0.00 -0.26 0.00 0.00 58.87 58.48 3kcg n SER 69 Cb 0.16 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3kcg n SER 69 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kcg s LYS 70 N -2.81 2.30 -0.14 4.33 1.02 -0.64 -5.10 119.74 118.69 3kcg s LYS 70 Ca 0.20 -1.90 -0.12 0.00 0.02 0.00 0.00 55.97 54.17 3kcg s LYS 70 Cb 0.19 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.37 3kcg s LYS 70 CO 0.52 -0.38 0.24 1.21 -0.92 0.00 0.00 175.35 176.02 3kcg s ASN 71 N -4.12 6.43 0.38 2.83 3.84 -1.26 -4.95 114.94 118.09 3kcg s ASN 71 Ca 0.37 0.51 0.20 0.00 0.21 0.00 0.00 52.86 54.15 3kcg s ASN 71 Cb -0.00 -2.15 1.11 0.00 -0.55 0.00 0.00 41.25 39.65 3kcg s ASN 71 CO 0.22 0.22 1.58 0.44 -2.79 0.00 0.00 177.10 176.76 3kcg h ASP 72 N 6.00 0.00 0.70 -4.21 3.32 -1.98 -0.12 116.42 120.13 3kcg h ASP 72 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3kcg h ASP 72 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3kcg h ASP 72 CO 0.70 0.00 -0.32 0.59 -1.72 0.00 0.00 179.24 178.49 3kcg n ASN 73 N -2.29 0.33 -4.92 6.45 3.02 -1.26 -4.90 115.26 111.69 3kcg n ASN 73 Ca -0.01 0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 3kcg n ASN 73 Cb 0.19 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 3kcg n ASN 73 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kcg s ASP 74 N -3.04 6.40 0.71 6.41 -0.00 -0.06 -4.54 116.67 122.56 3kcg s ASP 74 Ca 0.12 0.40 -0.11 0.00 -0.00 0.00 0.00 52.55 52.96 3kcg s ASP 74 Cb 0.18 -2.01 0.02 0.00 -0.00 0.00 0.00 42.92 41.11 3kcg s ASP 74 CO 0.64 0.03 1.07 0.20 -0.00 0.00 0.00 175.17 177.10 3kcg s ASN 75 N -2.89 5.24 0.01 0.27 0.01 -1.26 -4.59 114.94 111.73 3kcg s ASN 75 Ca 0.38 1.51 0.00 0.00 -0.71 0.00 0.00 52.86 54.04 3kcg s ASN 75 Cb -0.12 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 3kcg s ASN 75 CO 0.28 -1.52 -0.02 -0.63 -1.51 0.00 0.00 177.10 173.70 3kcg s ILE 76 N -3.10 0.10 -0.28 0.60 1.01 -0.57 -4.93 121.20 114.04 3kcg s ILE 76 Ca 0.58 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 3kcg s ILE 76 Cb -0.14 -0.14 0.09 0.00 0.01 0.00 0.00 42.46 42.28 3kcg s ILE 76 CO 0.55 -0.12 0.73 0.12 0.00 0.00 0.00 174.94 176.21 3kcg s PHE 77 N -0.42 -0.97 0.23 3.97 5.36 -1.26 -0.27 117.98 124.62 3kcg s PHE 77 Ca -0.04 2.00 -0.22 0.00 -0.96 0.00 0.00 56.93 57.71 3kcg s PHE 77 Cb -0.03 0.55 0.04 0.00 -0.34 0.00 0.00 43.02 43.24 3kcg s PHE 77 CO -0.00 -0.48 0.72 -0.48 -1.46 0.00 0.00 175.22 173.52 3kcg s LEU 78 N 1.40 -0.33 -0.35 6.12 2.34 -0.73 -4.48 118.68 122.65 3kcg s LEU 78 Ca -0.08 -0.43 0.01 0.00 0.06 0.00 0.00 54.13 53.70 3kcg s LEU 78 Cb -0.05 2.62 0.09 0.00 -0.56 0.00 0.00 46.19 48.29 3kcg s LEU 78 CO -0.16 -1.19 0.07 -0.55 -1.06 0.00 0.00 176.35 173.46 3kcg s SER 79 N -2.87 4.89 0.47 1.48 0.15 -1.26 -1.62 113.70 114.94 3kcg s SER 79 Ca 0.09 -1.96 0.16 0.00 0.70 0.00 0.00 55.95 54.93 3kcg s SER 79 Cb -0.04 -1.69 1.09 0.00 -1.71 0.00 0.00 66.02 63.67 3kcg s SER 79 CO 0.01 -0.40 2.03 1.55 1.20 0.00 0.00 173.24 177.63 3kcg h PRO 80 N 7.79 0.00 -0.63 5.44 0.13 -1.80 -2.36 132.00 140.57 3kcg h PRO 80 Ca -0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 3kcg h PRO 80 Cb 1.03 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 3kcg h PRO 80 CO 0.57 0.14 0.21 1.25 -0.23 0.00 0.00 178.00 179.94 3kcg h LEU 81 N 0.00 0.90 -0.83 1.56 5.85 -1.73 -0.02 115.31 121.04 3kcg h LEU 81 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3kcg h LEU 81 Cb 0.26 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3kcg h LEU 81 CO 0.02 0.86 0.50 0.28 -0.34 0.00 0.00 178.44 179.76 3kcg h SER 82 N 0.89 1.00 -0.23 1.25 0.02 -1.72 -0.41 113.55 114.35 3kcg h SER 82 Ca 0.20 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3kcg h SER 82 Cb 0.28 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3kcg h SER 82 CO -0.01 0.78 0.01 0.40 -1.14 0.00 0.00 176.83 176.87 3kcg h ILE 83 N 1.14 1.25 -0.66 3.27 2.04 -1.19 -1.35 117.51 122.01 3kcg h ILE 83 Ca 0.30 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.31 3kcg h ILE 83 Cb -0.04 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3kcg h ILE 83 CO -0.06 0.27 0.44 0.28 0.00 0.00 0.00 178.15 179.08 3kcg h SER 84 N 0.18 0.75 -0.50 1.72 0.02 -0.68 -1.86 113.55 113.17 3kcg h SER 84 Ca 0.07 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3kcg h SER 84 Cb 0.39 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3kcg h SER 84 CO 0.01 0.54 0.27 0.74 -1.14 0.00 0.00 176.83 177.25 3kcg h THR 85 N 0.89 1.18 -0.47 -2.27 2.02 -0.97 -1.58 112.91 111.71 3kcg h THR 85 Ca 0.25 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3kcg h THR 85 Cb -0.09 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3kcg h THR 85 CO -0.06 0.19 0.29 0.00 0.37 0.00 0.00 175.52 176.31 3kcg h ALA 86 N 1.11 0.60 0.00 6.16 0.00 -0.79 -1.91 119.26 124.42 3kcg h ALA 86 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kcg h ALA 86 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kcg h ALA 86 CO -0.03 -0.00 0.00 0.74 0.00 0.00 0.00 179.25 179.96 3kcg h PHE 87 N 0.59 0.00 0.00 0.00 -1.00 -1.20 -1.86 116.94 113.47 3kcg h PHE 87 Ca 0.18 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.90 3kcg h PHE 87 Cb -0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 3kcg h PHE 87 CO -0.06 0.00 -0.31 0.00 -1.61 0.00 0.00 178.31 176.33 3kcg h ALA 88 N 2.20 1.06 0.00 2.45 0.00 -0.49 -0.77 119.26 123.71 3kcg h ALA 88 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kcg h ALA 88 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kcg h ALA 88 CO 0.00 0.39 0.00 0.52 0.00 0.00 0.00 179.25 180.16 3kcg h MET 89 N 0.00 0.00 0.00 0.00 2.86 -0.96 -1.44 114.93 115.40 3kcg h MET 89 Ca -0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 3kcg h MET 89 Cb 0.78 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 3kcg h MET 89 CO 0.04 0.00 -1.78 0.25 1.06 0.00 0.00 176.91 176.48 3kcg n THR 90 N -3.00 1.58 -0.25 2.22 -2.24 -0.72 -3.86 114.28 108.02 3kcg n THR 90 Ca 0.02 -0.80 -0.02 0.00 -2.27 0.00 0.00 64.05 60.97 3kcg n THR 90 Cb 0.37 -0.97 0.09 0.00 -2.10 0.00 0.00 70.33 67.71 3kcg n THR 90 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kcg h LYS 91 N 0.00 0.79 -0.98 -0.78 3.11 -0.76 -0.48 116.57 117.47 3kcg h LYS 91 Ca -0.31 -0.05 0.25 0.00 -2.81 0.00 0.00 60.65 57.73 3kcg h LYS 91 Cb 2.04 -0.18 -0.07 0.00 -1.00 0.00 0.00 32.23 33.02 3kcg h LYS 91 CO 0.07 0.52 0.66 1.25 -2.81 0.00 0.00 179.45 179.15 3kcg h LEU 92 N 0.81 0.28 -2.34 5.20 5.85 -1.38 -1.68 115.31 122.06 3kcg h LEU 92 Ca 0.30 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3kcg h LEU 92 Cb 0.09 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3kcg h LEU 92 CO -0.14 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.65 3kcg n GLY 93 N -1.58 1.58 3.91 3.75 0.00 -0.54 -4.14 105.19 108.17 3kcg n GLY 93 Ca 0.22 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 3kcg n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcg s ALA 94 N -0.91 3.42 0.17 4.61 0.00 -0.30 -1.20 121.76 127.54 3kcg s ALA 94 Ca 0.16 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 3kcg s ALA 94 Cb 0.09 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3kcg s ALA 94 CO 0.12 -0.46 0.29 0.00 0.00 0.00 0.00 175.76 175.72 3kcg n ASN 96 N -0.22 0.00 -0.00 0.00 4.13 -1.26 -2.36 115.26 115.54 3kcg n ASN 96 Ca -0.07 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.27 3kcg n ASN 96 Cb 0.63 0.00 0.49 0.00 -1.54 0.00 0.00 39.78 39.36 3kcg n ASN 96 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3kcg h ASP 97 N 5.61 0.36 -0.48 6.41 5.19 -1.96 -0.13 116.42 131.41 3kcg h ASP 97 Ca 0.00 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3kcg h ASP 97 Cb 0.00 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 3kcg h ASP 97 CO 0.00 0.24 0.22 0.74 -3.12 0.00 0.00 179.24 177.32 3kcg h THR 98 N 0.41 1.20 -0.08 0.35 2.02 -1.81 -1.41 112.91 113.59 3kcg h THR 98 Ca 0.19 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3kcg h THR 98 Cb 0.23 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3kcg h THR 98 CO -0.05 0.22 -0.03 0.25 0.37 0.00 0.00 175.52 176.29 3kcg h LEU 99 N 0.64 0.17 -0.46 2.58 5.85 -0.92 -2.68 115.31 120.50 3kcg h LEU 99 Ca 0.16 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3kcg h LEU 99 Cb 0.15 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3kcg h LEU 99 CO -0.02 0.52 0.14 -0.61 -0.34 0.00 0.00 178.44 178.14 3kcg h GLN 100 N -0.18 0.29 -0.86 1.25 4.15 -0.96 -0.79 115.11 118.00 3kcg h GLN 100 Ca 0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3kcg h GLN 100 Cb 0.45 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 3kcg h GLN 100 CO 0.01 0.19 0.52 1.96 -1.93 0.00 0.00 178.83 179.58 3kcg h GLN 101 N 0.30 1.18 -0.49 1.69 4.20 -1.28 -0.96 115.11 119.75 3kcg h GLN 101 Ca 0.22 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.83 3kcg h GLN 101 Cb 0.24 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3kcg h GLN 101 CO -0.24 0.83 0.31 -0.07 -0.67 0.00 0.00 178.83 178.99 3kcg h LEU 102 N 1.19 0.53 -0.68 1.46 3.38 -0.97 0.79 115.31 120.99 3kcg h LEU 102 Ca 0.31 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 3kcg h LEU 102 Cb -0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3kcg h LEU 102 CO -0.06 0.38 0.26 0.24 0.09 0.00 0.00 178.44 179.35 3kcg h MET 103 N 0.63 1.03 -0.10 1.13 2.86 -0.68 -2.31 114.93 117.50 3kcg h MET 103 Ca 0.18 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3kcg h MET 103 Cb -0.04 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.46 3kcg h MET 103 CO -0.06 0.87 -0.35 0.93 1.06 0.00 0.00 176.91 179.36 3kcg h GLU 104 N 0.98 0.41 -0.56 1.72 5.08 -0.87 0.18 114.58 121.52 3kcg h GLU 104 Ca 0.23 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3kcg h GLU 104 Cb 0.23 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3kcg h GLU 104 CO -0.02 0.94 0.16 0.28 -1.00 0.00 0.00 179.01 179.37 3kcg h VAL 105 N -0.04 1.24 -0.23 3.13 2.07 -0.85 -2.73 116.25 118.84 3kcg h VAL 105 Ca -0.02 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3kcg h VAL 105 Cb 0.99 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3kcg h VAL 105 CO 0.07 0.31 0.00 0.49 0.02 0.00 0.00 177.57 178.46 3kcg n PHE 106 N -4.43 0.31 -2.41 1.57 3.72 -0.87 -4.84 117.46 110.50 3kcg n PHE 106 Ca 0.02 -0.15 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 3kcg n PHE 106 Cb 0.21 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.75 3kcg n PHE 106 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kcg n LYS 107 N 0.26 -1.77 0.13 -1.08 4.76 -1.03 -4.62 118.16 114.82 3kcg n LYS 107 Ca 0.12 0.96 0.12 0.00 -2.87 0.00 0.00 58.31 56.64 3kcg n LYS 107 Cb 0.26 -5.58 0.11 0.00 -1.84 0.00 0.00 35.03 27.98 3kcg n LYS 107 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 3kcg h PHE 108 N -0.08 0.00 0.00 2.13 0.04 -0.95 -3.37 116.94 114.72 3kcg h PHE 108 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3kcg h PHE 108 Cb 1.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.50 3kcg h PHE 108 CO 0.53 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.84 3kcg n ASP 109 N -2.66 0.19 0.00 2.17 5.75 -0.72 -2.32 116.55 118.96 3kcg n ASP 109 Ca 0.02 0.58 0.10 0.00 -0.01 0.00 0.00 54.79 55.49 3kcg n ASP 109 Cb 0.51 -0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 3kcg n ASP 109 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3kcg n THR 110 N -1.75 0.01 -1.53 2.12 -2.24 -1.26 -4.74 114.28 104.89 3kcg n THR 110 Ca -0.00 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 3kcg n THR 110 Cb 0.03 0.76 0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3kcg n THR 110 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3kcg s ILE 111 N -3.04 2.34 0.75 2.28 -4.36 -0.98 -5.03 121.20 113.16 3kcg s ILE 111 Ca 0.08 0.11 -0.12 0.00 -0.26 0.00 0.00 60.65 60.46 3kcg s ILE 111 Cb 0.16 -2.85 0.04 0.00 1.25 0.00 0.00 42.46 41.06 3kcg s ILE 111 CO 0.84 -0.14 1.10 -0.94 0.24 0.00 0.00 174.94 176.03 3kcg s SER 112 N -3.97 4.61 0.21 4.36 1.04 -1.26 -4.81 113.70 113.87 3kcg s SER 112 Ca 0.63 1.89 -0.09 0.00 0.48 0.00 0.00 55.95 58.86 3kcg s SER 112 Cb -0.15 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.70 3kcg s SER 112 CO 0.54 -1.97 1.78 -0.33 0.98 0.00 0.00 173.24 174.24 3kcg h GLU 113 N -0.82 0.54 -0.43 4.02 5.08 -1.95 -0.85 114.58 120.16 3kcg h GLU 113 Ca -0.44 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 3kcg h GLU 113 Cb 1.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3kcg h GLU 113 CO 0.52 0.35 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.46 3kcg h LYS 114 N 0.55 0.85 -0.43 2.33 3.64 -1.99 -0.92 116.57 120.60 3kcg h LYS 114 Ca 0.30 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 3kcg h LYS 114 Cb 0.28 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3kcg h LYS 114 CO -0.24 0.97 -0.16 1.15 -2.27 0.00 0.00 179.45 178.91 3kcg h THR 115 N 0.74 1.26 -0.01 1.00 2.02 -1.83 -1.89 112.91 114.20 3kcg h THR 115 Ca 0.11 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 3kcg h THR 115 Cb 0.72 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3kcg h THR 115 CO 0.06 0.42 0.00 -1.28 0.37 0.00 0.00 175.52 175.09 3kcg h SER 116 N 0.71 0.02 0.22 4.18 0.87 -0.94 0.28 113.55 118.89 3kcg h SER 116 Ca 0.11 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 3kcg h SER 116 Cb 0.66 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3kcg h SER 116 CO 0.05 0.27 -0.19 0.44 -0.53 0.00 0.00 176.83 176.87 3kcg h ASP 117 N -0.23 0.00 -0.29 6.23 3.32 -1.10 -2.58 116.42 121.77 3kcg h ASP 117 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3kcg h ASP 117 Cb 0.26 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 3kcg h ASP 117 CO 0.00 0.19 -0.11 0.00 -1.72 0.00 0.00 179.24 177.60 3kcg n GLN 118 N -4.22 1.92 -0.28 3.56 1.13 -0.72 -4.48 117.38 114.29 3kcg n GLN 118 Ca -0.02 -3.13 0.11 0.00 -1.94 0.00 0.00 57.00 52.02 3kcg n GLN 118 Cb 0.26 -1.79 0.36 0.00 0.11 0.00 0.00 30.24 29.18 3kcg n GLN 118 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 3kcg h ILE 119 N 1.05 0.84 -0.12 5.09 2.10 -0.03 0.23 117.51 126.68 3kcg h ILE 119 Ca 0.17 -0.25 -0.06 0.00 1.08 0.00 0.00 64.86 65.79 3kcg h ILE 119 Cb 1.55 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 3kcg h ILE 119 CO 0.32 0.13 -0.20 1.12 -1.08 0.00 0.00 178.15 178.44 3kcg h HIS 120 N 0.73 0.22 -0.06 2.19 2.07 -1.85 -1.12 115.15 117.34 3kcg h HIS 120 Ca 0.46 -0.03 -0.11 0.00 -2.85 0.00 0.00 60.37 57.83 3kcg h HIS 120 Cb 0.69 -0.06 0.01 0.00 2.57 0.00 0.00 27.41 30.62 3kcg h HIS 120 CO -0.00 0.40 -0.41 0.35 -3.07 0.00 0.00 177.93 175.20 3kcg h PHE 121 N 0.19 0.52 0.00 6.12 3.57 -1.36 -2.98 116.94 123.00 3kcg h PHE 121 Ca 0.03 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 3kcg h PHE 121 Cb 0.47 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3kcg h PHE 121 CO 0.01 1.01 -0.21 0.74 -2.23 0.00 0.00 178.31 177.62 3kcg h PHE 122 N -0.12 0.00 -0.34 0.41 0.04 -1.11 -0.97 116.94 114.86 3kcg h PHE 122 Ca -0.03 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 3kcg h PHE 122 Cb 1.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 3kcg h PHE 122 CO 0.13 0.21 -0.32 0.74 -0.60 0.00 0.00 178.31 178.47 3kcg h PHE 123 N 0.00 0.87 -0.58 -0.55 0.04 -1.23 0.41 116.94 115.90 3kcg h PHE 123 Ca -0.00 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 3kcg h PHE 123 Cb 0.63 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 3kcg h PHE 123 CO 0.00 0.97 0.21 0.00 -0.60 0.00 0.00 178.31 178.89 3kcg h ALA 124 N 1.00 0.76 -0.62 2.45 0.00 -1.14 0.16 119.26 121.87 3kcg h ALA 124 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kcg h ALA 124 Cb 0.85 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3kcg h ALA 124 CO 0.07 0.40 0.29 -0.22 0.00 0.00 0.00 179.25 179.79 3kcg h LYS 125 N 0.81 0.90 -0.30 0.00 3.64 -0.89 0.15 116.57 120.88 3kcg h LYS 125 Ca 0.19 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3kcg h LYS 125 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3kcg h LYS 125 CO -0.01 0.73 0.03 1.25 -2.27 0.00 0.00 179.45 179.18 3kcg h LEU 126 N 0.86 0.50 -1.17 5.20 5.85 -0.54 -2.07 115.31 123.93 3kcg h LEU 126 Ca 0.21 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3kcg h LEU 126 Cb 0.14 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3kcg h LEU 126 CO -0.02 0.65 -0.21 0.78 -0.34 0.00 0.00 178.44 179.30 3kcg h ASN 127 N 0.32 0.31 -0.03 1.25 2.35 -0.44 -1.87 115.58 117.48 3kcg h ASN 127 Ca 0.09 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kcg h ASN 127 Cb 0.38 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3kcg h ASN 127 CO 0.01 0.54 0.01 0.00 -1.65 0.00 0.00 177.43 176.34 3kcg h ARG 129 N -0.09 0.09 -0.34 0.00 2.43 -1.13 -1.84 114.38 113.49 3kcg h ARG 129 Ca 0.01 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3kcg h ARG 129 Cb 0.14 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3kcg h ARG 129 CO -0.00 0.06 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.21 3kcg h LEU 130 N 0.09 0.69 -0.46 3.80 3.38 -1.28 -2.80 115.31 118.73 3kcg h LEU 130 Ca 0.08 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3kcg h LEU 130 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3kcg h LEU 130 CO -0.12 0.91 -0.01 0.22 0.09 0.00 0.00 178.44 179.53 3kcg h TYR 131 N 0.59 0.89 -0.42 1.13 3.20 -0.83 0.15 116.97 121.69 3kcg h TYR 131 Ca 0.08 -0.16 0.05 0.00 3.14 0.00 0.00 58.73 61.85 3kcg h TYR 131 Cb 0.72 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3kcg h TYR 131 CO 0.03 0.86 0.15 -0.09 -1.64 0.00 0.00 178.16 177.47 3kcg h ARG 132 N 0.66 0.30 -0.28 1.82 9.65 -1.25 0.26 114.38 125.54 3kcg h ARG 132 Ca 0.13 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.88 3kcg h ARG 132 Cb 0.52 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3kcg h ARG 132 CO 0.03 0.20 -0.25 0.87 2.80 0.00 0.00 179.97 183.61 3kcg h LYS 133 N 0.31 0.66 -0.44 0.20 1.57 -1.30 -3.24 116.57 114.33 3kcg h LYS 133 Ca 0.19 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 3kcg h LYS 133 Cb 0.18 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3kcg h LYS 133 CO -0.20 0.94 -0.09 0.00 -0.57 0.00 0.00 179.45 179.53 3kcg h ALA 134 N 0.70 1.02 0.00 3.86 0.00 -0.37 -2.84 119.26 121.63 3kcg h ALA 134 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kcg h ALA 134 Cb 0.81 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kcg h ALA 134 CO 0.06 0.59 0.00 -0.97 0.00 0.00 0.00 179.25 178.94 3kcg h ASN 135 N 0.71 0.00 -0.00 0.00 -1.24 -0.52 0.17 115.58 114.69 3kcg h ASN 135 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3kcg h ASN 135 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 3kcg h ASN 135 CO 0.03 0.00 -0.89 0.29 -1.29 0.00 0.00 177.43 175.57 3kcg n LYS 136 N -2.71 0.68 -0.03 6.67 4.01 -1.08 -4.40 118.16 121.31 3kcg n LYS 136 Ca -0.02 -0.03 0.02 0.00 -0.51 0.00 0.00 58.31 57.76 3kcg n LYS 136 Cb 0.08 -1.41 0.03 0.00 -0.51 0.00 0.00 35.03 33.22 3kcg n LYS 136 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kcg n ALA 137 N -1.40 2.23 -3.95 7.82 0.00 -0.13 -4.78 120.51 120.30 3kcg n ALA 137 Ca 0.04 -0.83 0.15 0.00 0.00 0.00 0.00 53.44 52.80 3kcg n ALA 137 Cb 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 19.45 19.64 3kcg n ALA 137 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kcg n SER 138 N -0.04 -1.25 -4.33 0.00 3.41 -0.18 -1.22 113.62 110.02 3kcg n SER 138 Ca 0.03 -1.35 -0.40 0.00 -0.26 0.00 0.00 58.87 56.89 3kcg n SER 138 Cb 0.21 1.95 -0.11 0.00 -0.26 0.00 0.00 64.21 66.00 3kcg n SER 138 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kcg s LYS 139 N -2.02 2.73 -0.12 4.33 2.36 0.47 -4.56 119.74 122.93 3kcg s LYS 139 Ca 0.28 -1.17 -0.01 0.00 -2.55 0.00 0.00 55.97 52.52 3kcg s LYS 139 Cb -0.01 -3.66 0.03 0.00 -1.05 0.00 0.00 37.83 33.14 3kcg s LYS 139 CO 0.00 -0.73 -0.03 -1.17 1.55 0.00 0.00 175.35 174.98 3kcg s LEU 140 N 1.49 1.09 0.09 5.43 0.20 -1.26 -1.30 118.68 124.42 3kcg s LEU 140 Ca 0.01 -0.39 0.07 0.00 0.69 0.00 0.00 54.13 54.51 3kcg s LEU 140 Cb -0.20 -0.69 -0.03 0.00 -0.43 0.00 0.00 46.19 44.84 3kcg s LEU 140 CO 0.05 -0.19 -0.19 0.68 -0.29 0.00 0.00 176.35 176.41 3kcg s VAL 141 N 1.80 1.54 0.09 1.68 -7.23 -0.90 -4.99 120.40 112.39 3kcg s VAL 141 Ca 0.03 -1.42 -0.09 0.00 -1.81 0.00 0.00 61.98 58.70 3kcg s VAL 141 Cb -0.14 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 3kcg s VAL 141 CO -0.07 -0.06 0.19 -0.94 -0.31 0.00 0.00 175.10 173.90 3kcg s SER 142 N -1.74 0.12 -0.22 4.85 1.04 -1.26 -0.49 113.70 115.99 3kcg s SER 142 Ca 0.04 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 55.78 3kcg s SER 142 Cb -0.10 0.34 0.11 0.00 0.10 0.00 0.00 66.02 66.47 3kcg s SER 142 CO 0.03 -0.73 0.26 0.00 0.98 0.00 0.00 173.24 173.78 3kcg s ALA 143 N -3.87 -0.44 -0.04 5.32 0.00 -0.67 -4.76 121.76 117.30 3kcg s ALA 143 Ca 0.05 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.36 3kcg s ALA 143 Cb 0.05 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 3kcg s ALA 143 CO -0.11 -1.28 -0.18 -0.80 0.00 0.00 0.00 175.76 173.39 3kcg s ASN 144 N 2.37 2.28 -0.12 0.00 0.01 -1.26 -1.69 114.94 116.53 3kcg s ASN 144 Ca 0.08 -0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 51.56 3kcg s ASN 144 Cb -0.15 -0.60 0.12 0.00 0.41 0.00 0.00 41.25 41.03 3kcg s ASN 144 CO -0.15 0.17 0.99 -0.60 -1.51 0.00 0.00 177.10 176.00 3kcg s ARG 145 N -0.03 0.63 -0.03 -0.60 3.52 0.09 -4.82 118.95 117.71 3kcg s ARG 145 Ca -0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 55.73 55.54 3kcg s ARG 145 Cb -0.11 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.53 3kcg s ARG 145 CO 0.02 -0.23 0.11 -0.51 -0.81 0.00 0.00 175.30 173.88 3kcg s LEU 146 N -1.61 4.05 -0.06 -0.88 1.02 -1.26 -1.00 118.68 118.94 3kcg s LEU 146 Ca 0.01 0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.43 3kcg s LEU 146 Cb -0.01 -2.27 0.01 0.00 0.02 0.00 0.00 46.19 43.94 3kcg s LEU 146 CO -0.02 0.30 -0.12 -0.36 0.02 0.00 0.00 176.35 176.17 3kcg s PHE 147 N -1.17 1.40 0.15 0.29 0.08 -0.28 -0.99 117.98 117.46 3kcg s PHE 147 Ca 0.22 -0.51 0.06 0.00 0.12 0.00 0.00 56.93 56.82 3kcg s PHE 147 Cb -0.12 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3kcg s PHE 147 CO 0.12 -0.27 -0.14 0.20 -0.10 0.00 0.00 175.22 175.04 3kcg s GLY 148 N 0.67 1.19 0.25 4.36 0.00 -0.67 -0.94 107.32 112.19 3kcg s GLY 148 Ca -0.14 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.84 3kcg s GLY 148 CO 0.03 -1.51 1.44 -0.35 0.00 0.00 0.00 173.10 172.72 3kcg s ASP 149 N -2.82 6.64 0.37 1.64 -1.08 -0.14 -0.18 116.67 121.11 3kcg s ASP 149 Ca 0.14 2.68 0.13 0.00 -0.52 0.00 0.00 52.55 54.99 3kcg s ASP 149 Cb -0.03 -2.62 0.94 0.00 -1.46 0.00 0.00 42.92 39.75 3kcg s ASP 149 CO 0.04 -0.71 1.82 0.50 0.52 0.00 0.00 175.17 177.34 3kcg h LYS 150 N 4.98 0.54 -0.01 4.34 3.64 -0.96 -2.17 116.57 126.92 3kcg h LYS 150 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3kcg h LYS 150 Cb 1.22 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3kcg h LYS 150 CO 0.77 0.36 0.18 0.66 -2.27 0.00 0.00 179.45 179.16 3kcg h SER 151 N 0.56 0.00 -3.31 4.20 4.64 -1.90 -3.42 113.55 114.31 3kcg h SER 151 Ca 0.52 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.30 3kcg h SER 151 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3kcg h SER 151 CO -0.26 0.00 -0.14 -0.76 -0.87 0.00 0.00 176.83 174.81 3kcg s LEU 152 N -6.03 4.11 -0.30 5.97 1.43 -0.82 -5.06 118.68 117.98 3kcg s LEU 152 Ca -0.04 0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 53.78 3kcg s LEU 152 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.74 3kcg s LEU 152 CO 0.35 -0.13 0.10 0.42 0.23 0.00 0.00 176.35 177.32 3kcg s THR 153 N -1.95 4.17 0.21 5.49 -4.23 -1.26 -5.00 115.64 113.05 3kcg s THR 153 Ca 0.45 -0.59 -0.20 0.00 -1.18 0.00 0.00 61.69 60.17 3kcg s THR 153 Cb -0.11 -3.13 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 3kcg s THR 153 CO 0.26 0.09 0.72 -0.36 -0.54 0.00 0.00 174.62 174.79 3kcg s PHE 154 N 1.54 3.69 -0.08 3.99 0.08 -1.26 -4.53 117.98 121.40 3kcg s PHE 154 Ca 0.03 1.41 -0.29 0.00 0.12 0.00 0.00 56.93 58.20 3kcg s PHE 154 Cb -0.17 -2.63 -0.07 0.00 -0.57 0.00 0.00 43.02 39.59 3kcg s PHE 154 CO 0.04 0.37 2.04 1.21 -0.10 0.00 0.00 175.22 178.78 3kcg s ASN 155 N -1.56 6.04 0.53 1.36 3.84 0.47 -4.86 114.94 120.75 3kcg s ASN 155 Ca 0.41 2.28 0.29 0.00 0.21 0.00 0.00 52.86 56.06 3kcg s ASN 155 Cb -0.18 -2.52 1.45 0.00 -0.55 0.00 0.00 41.25 39.45 3kcg s ASN 155 CO 0.21 -1.44 2.05 -0.33 -2.79 0.00 0.00 177.10 174.81 3kcg h GLU 156 N 12.42 0.00 -0.20 0.43 4.39 -1.93 -1.81 114.58 127.88 3kcg h GLU 156 Ca -0.45 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.08 3kcg h GLU 156 Cb 1.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3kcg h GLU 156 CO 0.95 0.11 -0.57 1.15 -1.16 0.00 0.00 179.01 179.50 3kcg h THR 157 N 0.00 1.31 -0.55 1.13 2.02 -1.94 -1.17 112.91 113.71 3kcg h THR 157 Ca -0.00 -1.81 -0.06 0.00 0.77 0.00 0.00 66.41 65.31 3kcg h THR 157 Cb 0.39 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3kcg h THR 157 CO 0.01 0.57 0.10 0.22 0.37 0.00 0.00 175.52 176.79 3kcg h TYR 158 N 0.48 0.95 -0.84 3.16 3.20 -1.63 -2.21 116.97 120.08 3kcg h TYR 158 Ca 0.01 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 3kcg h TYR 158 Cb 1.13 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 3kcg h TYR 158 CO 0.05 0.84 0.49 1.96 -1.64 0.00 0.00 178.16 179.86 3kcg h GLN 159 N 0.79 1.15 -0.37 1.82 1.08 -1.11 0.36 115.11 118.83 3kcg h GLN 159 Ca 0.17 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 3kcg h GLN 159 Cb 0.39 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3kcg h GLN 159 CO 0.01 0.82 -0.08 -0.44 -0.95 0.00 0.00 178.83 178.19 3kcg h ASP 160 N 1.16 0.72 -0.43 1.46 3.32 -1.03 -1.64 116.42 119.98 3kcg h ASP 160 Ca 0.30 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3kcg h ASP 160 Cb -0.02 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3kcg h ASP 160 CO -0.05 0.91 0.18 0.40 -1.72 0.00 0.00 179.24 178.96 3kcg h ILE 161 N 0.52 1.19 -0.48 0.35 2.04 -1.16 -2.74 117.51 117.23 3kcg h ILE 161 Ca 0.10 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3kcg h ILE 161 Cb 0.59 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3kcg h ILE 161 CO 0.03 0.22 0.30 0.28 0.00 0.00 0.00 178.15 178.98 3kcg h SER 162 N 0.55 0.49 -0.96 1.72 0.02 -0.81 -0.44 113.55 114.11 3kcg h SER 162 Ca 0.14 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 3kcg h SER 162 Cb 0.17 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 3kcg h SER 162 CO -0.01 0.35 0.62 -0.08 -1.14 0.00 0.00 176.83 176.56 3kcg h GLU 163 N 0.59 1.08 0.20 3.45 4.81 -1.14 0.30 114.58 123.88 3kcg h GLU 163 Ca 0.19 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kcg h GLU 163 Cb -0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.13 3kcg h GLU 163 CO -0.08 0.71 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.75 3kcg h LEU 164 N 1.11 -0.23 0.00 1.64 3.38 -1.13 -2.14 115.31 117.95 3kcg h LEU 164 Ca 0.42 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kcg h LEU 164 Cb 0.19 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kcg h LEU 164 CO -0.18 0.29 -0.55 -0.37 0.09 0.00 0.00 178.44 177.72 3kcg h VAL 165 N -0.89 0.00 -0.00 1.22 -1.51 -1.08 -3.37 116.25 110.62 3kcg h VAL 165 Ca -0.03 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 3kcg h VAL 165 Cb 0.51 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3kcg h VAL 165 CO 0.05 0.00 -0.19 0.00 -1.23 0.00 0.00 177.57 176.19 3kcg n TYR 166 N -2.84 0.00 0.00 5.19 9.36 0.10 -4.55 117.16 124.43 3kcg n TYR 166 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3kcg n TYR 166 Cb 0.54 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 3kcg n TYR 166 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kcg n GLY 167 N 0.93 1.64 3.55 2.98 0.00 -0.81 -4.93 105.19 108.55 3kcg n GLY 167 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3kcg n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcg s ALA 168 N -2.45 -1.82 0.68 4.61 0.00 -1.22 -4.88 121.76 116.68 3kcg s ALA 168 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 3kcg s ALA 168 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 3kcg s ALA 168 CO 0.00 -0.35 1.06 0.15 0.00 0.00 0.00 175.76 176.62 3kcg s LYS 169 N -1.01 3.07 0.25 0.00 1.02 -1.26 -3.56 119.74 118.25 3kcg s LYS 169 Ca -0.07 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 56.39 3kcg s LYS 169 Cb -0.01 -2.02 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 3kcg s LYS 169 CO 0.07 -0.95 1.46 -1.17 -0.92 0.00 0.00 175.35 173.83 3kcg s LEU 170 N -5.41 4.38 -0.30 3.17 0.20 -1.26 -4.73 118.68 114.72 3kcg s LEU 170 Ca 0.57 2.69 -0.15 0.00 0.69 0.00 0.00 54.13 57.92 3kcg s LEU 170 Cb -0.13 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 41.99 3kcg s LEU 170 CO 0.54 -0.73 0.39 -1.58 -0.29 0.00 0.00 176.35 174.68 3kcg s GLN 171 N -0.29 3.83 0.13 1.98 2.00 -0.16 -4.91 119.66 122.23 3kcg s GLN 171 Ca 0.60 -0.13 -0.30 0.00 -2.00 0.00 0.00 55.36 53.53 3kcg s GLN 171 Cb -0.42 -3.72 -0.07 0.00 0.80 0.00 0.00 33.01 29.59 3kcg s GLN 171 CO 0.43 -0.40 1.19 -2.14 -0.50 0.00 0.00 175.29 173.87 3kcg s PRO 172 N 2.10 4.48 0.03 1.67 0.02 -1.26 -1.66 135.00 140.37 3kcg s PRO 172 Ca 0.14 1.81 0.02 0.00 0.02 0.00 0.00 61.00 62.99 3kcg s PRO 172 Cb -0.16 -3.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.05 3kcg s PRO 172 CO 0.11 -0.14 -0.06 -0.51 -0.33 0.00 0.00 177.00 176.06 3kcg s LEU 173 N 0.32 2.22 -1.25 -5.54 1.43 0.75 -4.79 118.68 111.82 3kcg s LEU 173 Ca 0.55 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 3kcg s LEU 173 Cb -0.31 -0.11 0.14 0.00 0.03 0.00 0.00 46.19 45.94 3kcg s LEU 173 CO 0.33 -0.20 1.56 -0.67 0.23 0.00 0.00 176.35 177.60 3kcg n ASP 174 N 1.66 5.11 -0.06 2.29 2.03 -1.26 -0.30 116.55 126.03 3kcg n ASP 174 Ca -0.22 -2.96 -0.14 0.00 0.52 0.00 0.00 54.79 51.99 3kcg n ASP 174 Cb 0.55 -1.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 3kcg n ASP 174 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3kcg h PHE 175 N 7.24 1.04 -0.80 -0.67 0.04 -1.86 -0.31 116.94 121.62 3kcg h PHE 175 Ca 0.37 -0.39 0.05 0.00 2.80 0.00 0.00 57.97 60.80 3kcg h PHE 175 Cb 0.86 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.77 3kcg h PHE 175 CO 1.22 1.20 0.50 0.87 -0.60 0.00 0.00 178.31 181.50 3kcg h LYS 176 N 0.62 0.91 0.00 1.51 1.57 -1.82 -2.89 116.57 116.46 3kcg h LYS 176 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kcg h LYS 176 Cb 1.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3kcg h LYS 176 CO 0.13 0.60 -0.42 0.39 -0.57 0.00 0.00 179.45 179.58 3kcg n GLU 177 N -4.63 4.35 -2.67 3.15 -0.58 -1.25 -4.73 120.64 114.29 3kcg n GLU 177 Ca 0.10 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.75 3kcg n GLU 177 Cb 0.14 -0.84 0.04 0.00 -0.57 0.00 0.00 31.44 30.21 3kcg n GLU 177 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kcg n ASN 178 N -1.22 1.17 -0.10 1.62 3.02 -0.13 -4.97 115.26 114.65 3kcg n ASN 178 Ca 0.01 -2.69 -0.06 0.00 -0.03 0.00 0.00 54.58 51.81 3kcg n ASN 178 Cb 0.11 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3kcg n ASN 178 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kcg h ALA 179 N 2.92 0.10 -0.49 5.41 0.00 -1.51 0.86 119.26 126.55 3kcg h ALA 179 Ca -0.11 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kcg h ALA 179 Cb 1.19 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 3kcg h ALA 179 CO 0.45 -0.55 0.25 0.93 0.00 0.00 0.00 179.25 180.34 3kcg h GLU 180 N -0.11 0.70 -0.68 0.00 4.39 -1.89 -0.26 114.58 116.73 3kcg h GLU 180 Ca 0.18 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3kcg h GLU 180 Cb 0.38 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 3kcg h GLU 180 CO -0.42 0.57 0.25 1.96 -1.16 0.00 0.00 179.01 180.21 3kcg h GLN 181 N 0.65 1.01 -0.60 2.33 4.20 -1.84 -1.33 115.11 119.53 3kcg h GLN 181 Ca 0.17 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3kcg h GLN 181 Cb 0.10 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3kcg h GLN 181 CO -0.02 0.84 0.28 0.77 -0.67 0.00 0.00 178.83 180.02 3kcg h SER 182 N 0.99 0.79 -0.29 1.46 0.02 -0.31 0.16 113.55 116.37 3kcg h SER 182 Ca 0.23 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3kcg h SER 182 Cb 0.22 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3kcg h SER 182 CO -0.02 0.71 0.14 -0.09 -1.14 0.00 0.00 176.83 176.43 3kcg h ARG 183 N 0.82 0.41 -0.79 3.45 2.43 -0.60 -1.24 114.38 118.85 3kcg h ARG 183 Ca 0.20 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3kcg h ARG 183 Cb 0.14 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 3kcg h ARG 183 CO -0.02 0.38 0.48 0.00 -1.51 0.00 0.00 179.97 179.30 3kcg h ALA 184 N 1.01 1.07 -0.54 2.80 0.00 -0.92 -0.95 119.26 121.72 3kcg h ALA 184 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kcg h ALA 184 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kcg h ALA 184 CO -0.01 0.23 0.36 0.00 0.00 0.00 0.00 179.25 179.82 3kcg h ALA 185 N 1.37 0.69 -0.03 0.00 0.00 -0.50 0.75 119.26 121.54 3kcg h ALA 185 Ca 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kcg h ALA 185 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kcg h ALA 185 CO -0.16 0.12 0.01 0.82 0.00 0.00 0.00 179.25 180.04 3kcg h ILE 186 N 0.73 1.13 -0.70 0.00 2.04 -0.53 -0.35 117.51 119.83 3kcg h ILE 186 Ca 0.20 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3kcg h ILE 186 Cb -0.07 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3kcg h ILE 186 CO -0.05 0.11 0.42 0.78 0.00 0.00 0.00 178.15 179.41 3kcg h ASN 187 N -0.10 0.84 -0.41 1.72 2.35 -0.97 -1.81 115.58 117.20 3kcg h ASN 187 Ca 0.01 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 3kcg h ASN 187 Cb 0.16 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3kcg h ASN 187 CO -0.00 0.65 -0.08 0.50 -1.65 0.00 0.00 177.43 176.84 3kcg h LYS 188 N 0.97 0.77 -0.43 0.81 1.63 -0.59 -0.86 116.57 118.88 3kcg h LYS 188 Ca 0.25 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3kcg h LYS 188 Cb -0.04 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 3kcg h LYS 188 CO -0.05 0.90 0.27 2.35 -3.45 0.00 0.00 179.45 179.47 3kcg h TRP 189 N 0.59 0.55 -0.16 1.91 7.01 -0.62 0.40 115.95 125.63 3kcg h TRP 189 Ca 0.10 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3kcg h TRP 189 Cb 0.60 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 3kcg h TRP 189 CO 0.05 0.37 0.05 0.28 -2.79 0.00 0.00 178.44 176.40 3kcg h VAL 190 N 0.57 1.18 -0.07 2.65 2.07 -1.26 -0.88 116.25 120.51 3kcg h VAL 190 Ca 0.15 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3kcg h VAL 190 Cb -0.03 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3kcg h VAL 190 CO -0.03 0.17 -0.01 -1.28 0.02 0.00 0.00 177.57 176.44 3kcg h SER 191 N 0.07 -0.04 -0.98 0.57 0.87 -0.99 -0.54 113.55 112.51 3kcg h SER 191 Ca 0.05 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3kcg h SER 191 Cb 0.22 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 3kcg h SER 191 CO -0.00 -0.01 0.65 -1.13 -0.53 0.00 0.00 176.83 175.81 3kcg h ASN 192 N 0.01 1.12 1.21 6.23 -1.24 -0.87 0.51 115.58 122.56 3kcg h ASN 192 Ca 0.03 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 3kcg h ASN 192 Cb 0.04 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 3kcg h ASN 192 CO -0.06 0.81 -0.30 0.50 -1.29 0.00 0.00 177.43 177.10 3kcg h LYS 193 N 1.32 0.00 -0.52 6.67 3.64 -0.84 -3.09 116.57 123.76 3kcg h LYS 193 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3kcg h LYS 193 Cb -0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3kcg h LYS 193 CO -0.08 0.30 0.00 0.25 -2.27 0.00 0.00 179.45 177.65 3kcg n THR 194 N -3.31 2.51 -3.77 1.00 -2.24 -0.24 -4.77 114.28 103.46 3kcg n THR 194 Ca 0.01 -1.47 -0.28 0.00 -2.27 0.00 0.00 64.05 60.04 3kcg n THR 194 Cb 0.54 -0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.61 3kcg n THR 194 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kcg n GLU 195 N 0.46 -6.09 -0.94 -0.78 1.02 -0.80 -1.57 120.64 111.93 3kcg n GLU 195 Ca 0.26 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 3kcg n GLU 195 Cb 1.08 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 3kcg n GLU 195 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kcg n GLY 196 N -1.75 0.57 0.12 0.62 0.00 0.17 -4.90 105.19 100.02 3kcg n GLY 196 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3kcg n GLY 196 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kcg h ARG 197 N 1.53 0.17 -4.87 1.61 3.08 -1.50 -3.42 114.38 110.98 3kcg h ARG 197 Ca 0.00 -0.20 -0.67 0.00 0.07 0.00 0.00 59.98 59.18 3kcg h ARG 197 Cb 0.12 0.06 -0.33 0.00 0.08 0.00 0.00 29.97 29.90 3kcg h ARG 197 CO 0.00 0.96 -0.74 0.42 -1.07 0.00 0.00 179.97 179.54 3kcg s ILE 198 N -3.14 2.84 0.22 2.04 1.01 -1.26 -5.04 121.20 117.86 3kcg s ILE 198 Ca -0.02 -1.16 0.11 0.00 0.00 0.00 0.00 60.65 59.57 3kcg s ILE 198 Cb 0.10 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 3kcg s ILE 198 CO 0.83 0.11 -0.21 0.42 0.00 0.00 0.00 174.94 176.08 3kcg s THR 199 N 1.29 2.26 -1.45 2.92 -4.23 -1.26 -3.22 115.64 111.95 3kcg s THR 199 Ca -0.02 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.31 3kcg s THR 199 Cb -0.18 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.57 3kcg s THR 199 CO -0.04 -0.27 0.53 -0.67 -0.54 0.00 0.00 174.62 173.63 3kcg n ASP 200 N -0.05 -1.11 -0.09 3.99 4.64 -1.26 -4.87 116.55 117.81 3kcg n ASP 200 Ca -0.10 -0.98 0.01 0.00 -1.38 0.00 0.00 54.79 52.35 3kcg n ASP 200 Cb 0.58 -3.15 0.31 0.00 -1.04 0.00 0.00 41.12 37.81 3kcg n ASP 200 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 3kcg h VAL 201 N -1.81 1.17 -3.57 5.18 3.04 -1.89 -3.35 116.25 115.02 3kcg h VAL 201 Ca -0.62 -0.43 -0.71 0.00 -1.01 0.00 0.00 66.70 63.93 3kcg h VAL 201 Cb 1.38 0.47 -0.28 0.00 -2.01 0.00 0.00 31.29 30.84 3kcg h VAL 201 CO 0.64 0.19 -0.54 -0.63 -1.01 0.00 0.00 177.57 176.22 3kcg s ILE 202 N -5.48 4.04 0.85 3.17 1.01 -1.26 -4.89 121.20 118.64 3kcg s ILE 202 Ca -0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.21 3kcg s ILE 202 Cb 0.17 -3.38 0.10 0.00 0.01 0.00 0.00 42.46 39.37 3kcg s ILE 202 CO 0.76 -0.34 1.11 -2.16 0.00 0.00 0.00 174.94 174.32 3kcg s PRO 203 N 1.42 1.59 0.35 2.79 0.04 -1.26 -4.91 135.00 135.02 3kcg s PRO 203 Ca 0.01 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 3kcg s PRO 203 Cb -0.21 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 3kcg s PRO 203 CO 0.03 -2.15 1.30 0.45 0.04 0.00 0.00 177.00 176.67 3kcg n SER 204 N -3.88 2.83 0.00 6.66 2.88 -1.26 -1.53 113.62 119.32 3kcg n SER 204 Ca 0.10 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 3kcg n SER 204 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3kcg n SER 204 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3kcg n GLU 205 N 0.53 0.00 0.25 -1.46 1.02 -1.26 -4.83 120.64 114.89 3kcg n GLU 205 Ca 0.04 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.32 3kcg n GLU 205 Cb 0.36 -3.41 0.63 0.00 -0.02 0.00 0.00 31.44 29.00 3kcg n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kcg h ALA 206 N 0.00 1.09 -3.18 0.62 0.00 -1.63 -3.43 119.26 112.74 3kcg h ALA 206 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.47 3kcg h ALA 206 Cb 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.56 3kcg h ALA 206 CO 0.00 0.17 -0.75 0.96 0.00 0.00 0.00 179.25 179.63 3kcg s ILE 207 N -3.83 0.77 0.00 0.00 -4.36 -1.26 -5.03 121.20 107.49 3kcg s ILE 207 Ca -0.01 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 3kcg s ILE 207 Cb 0.11 -0.87 0.00 0.00 1.25 0.00 0.00 42.46 42.95 3kcg s ILE 207 CO 0.59 -0.36 0.00 -0.46 0.24 0.00 0.00 174.94 174.95 3kcg n ASN 208 N 1.27 0.00 0.17 4.36 0.23 -1.26 -4.85 115.26 115.18 3kcg n ASN 208 Ca -0.21 -0.45 0.13 0.00 -0.53 0.00 0.00 54.58 53.51 3kcg n ASN 208 Cb 0.55 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.86 3kcg n ASN 208 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kcg h GLU 209 N 0.00 0.00 -0.02 -3.83 3.07 -1.85 -1.77 114.58 110.18 3kcg h GLU 209 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kcg h GLU 209 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3kcg h GLU 209 CO 0.00 0.00 -0.15 1.28 -1.40 0.00 0.00 179.01 178.74 3kcg n LEU 210 N -2.38 2.23 -4.73 1.33 4.77 -1.26 -4.07 117.00 112.89 3kcg n LEU 210 Ca 0.00 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 3kcg n LEU 210 Cb 0.14 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3kcg n LEU 210 CO 0.16 0.38 1.10 -0.89 -1.33 0.00 0.00 177.39 176.82 3kcg s THR 211 N -2.17 2.89 -0.07 -5.08 2.01 -0.67 -4.92 115.64 107.64 3kcg s THR 211 Ca 0.27 0.69 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 3kcg s THR 211 Cb 0.20 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 3kcg s THR 211 CO 0.40 0.08 -0.12 0.52 -0.69 0.00 0.00 174.62 174.82 3kcg n VAL 212 N 3.14 0.68 -3.76 3.82 0.31 -1.26 -4.68 118.33 116.59 3kcg n VAL 212 Ca 0.09 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 3kcg n VAL 212 Cb 0.41 -1.67 -0.14 0.00 -0.91 0.00 0.00 33.84 31.53 3kcg n VAL 212 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3kcg s LEU 213 N -6.67 0.84 0.03 7.52 2.96 -1.23 -0.97 118.68 121.16 3kcg s LEU 213 Ca -0.12 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3kcg s LEU 213 Cb 0.04 0.44 -0.02 0.00 0.50 0.00 0.00 46.19 47.15 3kcg s LEU 213 CO 0.15 -0.13 -0.10 0.68 -1.32 0.00 0.00 176.35 175.63 3kcg s VAL 214 N 0.95 0.81 -0.13 1.68 -7.23 -0.12 -0.31 120.40 116.05 3kcg s VAL 214 Ca -0.07 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.18 3kcg s VAL 214 Cb -0.09 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 3kcg s VAL 214 CO -0.05 -0.10 0.01 -0.76 -0.31 0.00 0.00 175.10 173.89 3kcg s LEU 215 N -1.09 3.56 -0.10 1.32 1.02 -0.95 -1.12 118.68 121.31 3kcg s LEU 215 Ca -0.02 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.20 3kcg s LEU 215 Cb -0.07 -1.84 0.02 0.00 0.02 0.00 0.00 46.19 44.31 3kcg s LEU 215 CO 0.01 0.28 -0.09 -0.69 0.02 0.00 0.00 176.35 175.87 3kcg s VAL 216 N -0.28 1.10 -0.06 -1.59 1.01 -0.17 -0.42 120.40 119.99 3kcg s VAL 216 Ca 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3kcg s VAL 216 Cb -0.12 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.21 3kcg s VAL 216 CO 0.02 0.37 0.02 0.54 0.00 0.00 0.00 175.10 176.05 3kcg s ASN 217 N 1.43 1.38 0.10 3.32 2.20 -0.40 -0.73 114.94 122.23 3kcg s ASN 217 Ca 0.00 -0.04 0.04 0.00 -0.94 0.00 0.00 52.86 51.92 3kcg s ASN 217 Cb -0.13 -0.35 -0.03 0.00 -2.00 0.00 0.00 41.25 38.73 3kcg s ASN 217 CO -0.05 -0.20 -0.11 0.42 -2.94 0.00 0.00 177.10 174.21 3kcg s THR 218 N 1.93 1.04 -0.18 0.54 -4.23 -0.68 -2.10 115.64 111.96 3kcg s THR 218 Ca 0.04 -1.60 -0.27 0.00 -1.18 0.00 0.00 61.69 58.67 3kcg s THR 218 Cb -0.12 -1.34 0.07 0.00 1.34 0.00 0.00 72.50 72.45 3kcg s THR 218 CO -0.04 -0.47 0.71 -0.51 -0.54 0.00 0.00 174.62 173.76 3kcg s ILE 219 N -2.18 0.00 -0.02 2.99 2.07 -0.46 -1.67 121.20 121.93 3kcg s ILE 219 Ca 0.05 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.33 3kcg s ILE 219 Cb -0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.54 3kcg s ILE 219 CO 0.01 0.00 -0.16 -0.47 -1.91 0.00 0.00 174.94 172.41 3kcg s TYR 220 N -0.28 1.51 -0.04 3.50 5.04 0.35 -0.72 117.35 126.72 3kcg s TYR 220 Ca -0.05 -0.33 -0.02 0.00 -2.44 0.00 0.00 57.07 54.24 3kcg s TYR 220 Cb -0.03 -0.99 0.03 0.00 0.35 0.00 0.00 41.96 41.32 3kcg s TYR 220 CO 0.05 -0.07 0.09 0.12 -1.34 0.00 0.00 175.55 174.40 3kcg s PHE 221 N -0.24 -0.06 -0.27 4.97 2.19 -0.02 -2.11 117.98 122.45 3kcg s PHE 221 Ca 0.03 0.32 -0.03 0.00 0.33 0.00 0.00 56.93 57.58 3kcg s PHE 221 Cb -0.08 -0.20 0.09 0.00 -1.31 0.00 0.00 43.02 41.52 3kcg s PHE 221 CO 0.00 -0.14 0.10 0.21 1.83 0.00 0.00 175.22 177.22 3kcg s LYS 222 N 1.30 0.40 0.52 10.12 2.20 -0.42 -1.45 119.74 132.41 3kcg s LYS 222 Ca -0.07 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 54.79 3kcg s LYS 222 Cb -0.12 -1.63 -0.06 0.00 -1.51 0.00 0.00 37.83 34.50 3kcg s LYS 222 CO -0.04 -0.91 0.94 0.20 -0.36 0.00 0.00 175.35 175.18 3kcg s GLY 223 N 1.93 1.90 -0.29 5.54 0.00 -1.26 -0.39 107.32 114.76 3kcg s GLY 223 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 44.72 44.73 3kcg s GLY 223 CO -0.26 0.25 0.04 1.08 0.00 0.00 0.00 173.10 174.21 3kcg s LEU 224 N -4.35 3.70 0.60 0.66 1.02 -0.35 -4.84 118.68 115.11 3kcg s LEU 224 Ca 0.56 -0.81 -0.20 0.00 0.02 0.00 0.00 54.13 53.69 3kcg s LEU 224 Cb -0.10 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 3kcg s LEU 224 CO 0.38 -0.19 1.31 0.26 0.02 0.00 0.00 176.35 178.13 3kcg s TRP 225 N 1.43 2.21 0.12 0.29 0.23 -0.89 -0.47 118.94 121.85 3kcg s TRP 225 Ca 0.01 1.44 -0.08 0.00 -2.03 0.00 0.00 56.10 55.44 3kcg s TRP 225 Cb -0.17 -3.72 -0.12 0.00 0.03 0.00 0.00 33.47 29.49 3kcg s TRP 225 CO 0.00 -2.83 1.29 -0.22 0.96 0.00 0.00 176.95 176.16 3kcg h LYS 226 N 0.99 0.57 -3.93 4.98 3.64 -1.45 0.52 116.57 121.89 3kcg h LYS 226 Ca -0.51 -0.56 -0.64 0.00 -1.27 0.00 0.00 60.65 57.67 3kcg h LYS 226 Cb 1.32 0.15 -0.40 0.00 -0.41 0.00 0.00 32.23 32.88 3kcg h LYS 226 CO 0.55 1.18 -0.69 0.45 -2.27 0.00 0.00 179.45 178.67 3kcg s SER 227 N -7.13 4.41 0.85 4.20 0.15 -1.26 -4.11 113.70 110.82 3kcg s SER 227 Ca -0.08 -2.46 -0.10 0.00 0.70 0.00 0.00 55.95 54.00 3kcg s SER 227 Cb 0.08 -1.49 0.11 0.00 -1.71 0.00 0.00 66.02 63.01 3kcg s SER 227 CO 0.89 -0.32 1.11 -1.59 1.20 0.00 0.00 173.24 174.53 3kcg s LYS 228 N 0.49 1.55 0.03 5.44 -2.85 -0.06 -4.93 119.74 119.41 3kcg s LYS 228 Ca 0.14 1.28 -0.10 0.00 -1.00 0.00 0.00 55.97 56.29 3kcg s LYS 228 Cb -0.22 -1.81 -0.05 0.00 -2.06 0.00 0.00 37.83 33.69 3kcg s LYS 228 CO -0.06 -2.17 0.35 -0.06 0.10 0.00 0.00 175.35 173.51 3kcg s PHE 229 N -2.79 3.62 -0.11 1.78 0.40 -0.99 -4.70 117.98 115.18 3kcg s PHE 229 Ca 0.64 0.77 -0.21 0.00 -0.60 0.00 0.00 56.93 57.52 3kcg s PHE 229 Cb -0.20 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 3kcg s PHE 229 CO 0.57 0.58 0.63 -1.12 0.70 0.00 0.00 175.22 176.59 3kcg s SER 230 N -1.55 6.84 0.54 1.36 0.01 -1.26 -4.67 113.70 114.97 3kcg s SER 230 Ca 0.28 1.01 0.25 0.00 1.31 0.00 0.00 55.95 58.80 3kcg s SER 230 Cb -0.14 -2.37 1.43 0.00 0.21 0.00 0.00 66.02 65.15 3kcg s SER 230 CO 0.16 -0.13 2.01 -0.65 0.41 0.00 0.00 173.24 175.03 3kcg h PRO 231 N 6.94 0.00 0.00 12.44 0.11 -1.94 -0.14 132.00 149.41 3kcg h PRO 231 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kcg h PRO 231 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kcg h PRO 231 CO 0.76 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.60 3kcg h GLU 232 N 0.00 0.00 -0.19 1.05 4.11 -1.98 -1.78 114.58 115.79 3kcg h GLU 232 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3kcg h GLU 232 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3kcg h GLU 232 CO -0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 3kcg n ASN 233 N -2.57 3.20 -4.70 3.06 3.02 -0.07 -4.90 115.26 112.30 3kcg n ASN 233 Ca 0.00 -1.99 -0.38 0.00 -0.03 0.00 0.00 54.58 52.18 3kcg n ASN 233 Cb 0.17 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 3kcg n ASN 233 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kcg s THR 234 N -1.76 5.20 0.16 3.41 2.01 -0.67 -3.81 115.64 120.18 3kcg s THR 234 Ca 0.32 0.81 -0.14 0.00 0.31 0.00 0.00 61.69 62.99 3kcg s THR 234 Cb 0.21 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.98 3kcg s THR 234 CO 0.30 0.29 0.41 0.00 -0.69 0.00 0.00 174.62 174.94 3kcg s ARG 235 N 0.95 1.20 0.13 4.92 1.70 -0.83 -4.93 118.95 122.09 3kcg s ARG 235 Ca 0.22 -0.90 -0.31 0.00 -0.47 0.00 0.00 55.73 54.27 3kcg s ARG 235 Cb -0.15 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 3kcg s ARG 235 CO 0.08 -0.48 1.53 0.15 -1.08 0.00 0.00 175.30 175.51 3kcg s LYS 236 N -3.88 4.24 0.03 3.89 -0.14 -1.26 -1.69 119.74 120.94 3kcg s LYS 236 Ca 0.09 2.27 -0.04 0.00 -1.36 0.00 0.00 55.97 56.93 3kcg s LYS 236 Cb 0.01 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.87 3kcg s LYS 236 CO -0.05 -0.59 0.05 -1.21 -0.76 0.00 0.00 175.35 172.79 3kcg s GLU 237 N 1.47 0.53 0.27 1.68 2.02 -0.76 -4.93 118.70 118.98 3kcg s GLU 237 Ca 0.69 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 3kcg s GLU 237 Cb -0.41 0.20 -0.09 0.00 0.10 0.00 0.00 34.13 33.93 3kcg s GLU 237 CO 0.31 -0.12 1.09 -0.51 0.02 0.00 0.00 175.26 176.05 3kcg s LEU 238 N -2.09 4.55 -0.17 1.80 1.43 -1.26 -1.67 118.68 121.27 3kcg s LEU 238 Ca -0.06 2.24 -0.00 0.00 -1.03 0.00 0.00 54.13 55.28 3kcg s LEU 238 Cb -0.02 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 3kcg s LEU 238 CO -0.05 -0.13 -0.14 0.12 0.23 0.00 0.00 176.35 176.38 3kcg s PHE 239 N -1.10 2.82 -0.61 0.29 2.19 0.34 -4.87 117.98 117.04 3kcg s PHE 239 Ca 0.45 -1.09 -0.21 0.00 0.33 0.00 0.00 56.93 56.41 3kcg s PHE 239 Cb -0.32 -1.93 0.09 0.00 -1.31 0.00 0.00 43.02 39.55 3kcg s PHE 239 CO 0.40 -0.52 0.82 0.71 1.83 0.00 0.00 175.22 178.45 3kcg s TYR 240 N 0.99 2.86 0.75 10.12 2.02 0.33 -1.43 117.35 132.99 3kcg s TYR 240 Ca -0.02 -0.74 -0.11 0.00 -0.37 0.00 0.00 57.07 55.84 3kcg s TYR 240 Cb -0.15 -4.11 0.04 0.00 -0.40 0.00 0.00 41.96 37.35 3kcg s TYR 240 CO -0.02 -1.43 1.08 0.15 -1.57 0.00 0.00 175.55 173.75 3kcg s LYS 241 N 3.30 2.44 0.40 -0.62 1.02 -0.22 -4.25 119.74 121.81 3kcg s LYS 241 Ca 0.17 0.91 0.29 0.00 0.02 0.00 0.00 55.97 57.35 3kcg s LYS 241 Cb -0.20 -1.94 1.21 0.00 -0.52 0.00 0.00 37.83 36.38 3kcg s LYS 241 CO 0.09 -1.44 1.85 0.00 -0.92 0.00 0.00 175.35 174.93 3kcg h ALA 242 N -0.97 1.00 -0.05 5.17 0.00 -1.84 -2.74 119.26 119.84 3kcg h ALA 242 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kcg h ALA 242 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kcg h ALA 242 CO 0.56 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 3kcg n ASP 243 N -2.63 0.27 0.00 0.00 3.85 -1.26 -4.84 116.55 111.95 3kcg n ASP 243 Ca 0.01 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 3kcg n ASP 243 Cb 0.25 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 3kcg n ASP 243 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kcg n GLY 244 N 0.59 2.35 3.96 6.12 0.00 -1.03 -5.02 105.19 112.15 3kcg n GLY 244 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3kcg n GLY 244 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcg s GLU 245 N -0.30 2.72 0.11 1.61 0.41 -1.26 -4.91 118.70 117.09 3kcg s GLU 245 Ca 0.00 -0.54 0.05 0.00 -0.41 0.00 0.00 54.97 54.07 3kcg s GLU 245 Cb 0.00 -2.45 -0.04 0.00 -1.78 0.00 0.00 34.13 29.86 3kcg s GLU 245 CO 0.00 -0.62 -0.13 -1.54 -0.49 0.00 0.00 175.26 172.47 3kcg s SER 246 N -4.35 1.87 0.06 -0.19 1.04 -1.26 -1.06 113.70 109.80 3kcg s SER 246 Ca 0.54 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 56.13 3kcg s SER 246 Cb -0.10 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3kcg s SER 246 CO 0.40 -0.16 0.10 0.00 0.98 0.00 0.00 173.24 174.55 3kcg s SER 248 N -2.64 6.69 0.18 0.00 0.15 -1.26 -0.50 113.70 116.32 3kcg s SER 248 Ca 0.02 0.61 0.10 0.00 0.70 0.00 0.00 55.95 57.38 3kcg s SER 248 Cb 0.04 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 3kcg s SER 248 CO -0.09 -0.86 -0.18 0.00 1.20 0.00 0.00 173.24 173.31 3kcg s ALA 249 N 3.50 2.71 -0.46 5.45 0.00 -0.67 -4.65 121.76 127.64 3kcg s ALA 249 Ca 0.39 -1.54 -0.27 0.00 0.00 0.00 0.00 51.96 50.53 3kcg s ALA 249 Cb -0.12 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.51 3kcg s ALA 249 CO 0.19 0.46 1.02 -1.12 0.00 0.00 0.00 175.76 176.31 3kcg s SER 250 N -2.67 6.58 -0.26 0.00 0.01 -1.26 -1.83 113.70 114.27 3kcg s SER 250 Ca 0.22 0.32 -0.10 0.00 1.31 0.00 0.00 55.95 57.70 3kcg s SER 250 Cb -0.09 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3kcg s SER 250 CO 0.12 -1.11 0.16 -0.32 0.41 0.00 0.00 173.24 172.49 3kcg s MET 251 N 4.02 3.94 0.46 12.44 1.75 -0.68 -1.21 119.30 140.01 3kcg s MET 251 Ca 0.42 -0.33 -0.10 0.00 -1.25 0.00 0.00 55.69 54.43 3kcg s MET 251 Cb -0.09 -3.56 -0.06 0.00 2.84 0.00 0.00 34.83 33.96 3kcg s MET 251 CO 0.28 -0.10 0.82 -1.64 -0.65 0.00 0.00 175.02 173.73 3kcg s MET 252 N 1.49 3.71 -0.08 4.11 -1.94 0.16 -1.96 119.30 124.79 3kcg s MET 252 Ca 0.07 0.47 -0.11 0.00 -1.71 0.00 0.00 55.69 54.42 3kcg s MET 252 Cb -0.15 -2.33 0.03 0.00 2.01 0.00 0.00 34.83 34.39 3kcg s MET 252 CO 0.08 -0.16 0.28 -0.47 -0.01 0.00 0.00 175.02 174.74 3kcg s TYR 253 N -2.58 -0.27 -0.04 -0.03 6.14 -1.25 -1.44 117.35 117.89 3kcg s TYR 253 Ca 0.51 0.62 -0.29 0.00 0.64 0.00 0.00 57.07 58.55 3kcg s TYR 253 Cb -0.10 0.09 0.10 0.00 0.42 0.00 0.00 41.96 42.47 3kcg s TYR 253 CO 0.37 -0.21 0.85 1.14 0.64 0.00 0.00 175.55 178.35 3kcg s GLN 254 N -0.23 0.85 -0.14 4.97 -2.07 -0.95 -4.36 119.66 117.73 3kcg s GLN 254 Ca -0.04 -0.11 0.02 0.00 -1.82 0.00 0.00 55.36 53.42 3kcg s GLN 254 Cb -0.03 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 3kcg s GLN 254 CO 0.01 -0.33 -0.20 -2.00 -1.32 0.00 0.00 175.29 171.45 3kcg s GLU 255 N -2.33 3.09 0.16 9.60 2.12 -1.26 -1.15 118.70 128.93 3kcg s GLU 255 Ca 0.00 -0.82 -0.23 0.00 0.36 0.00 0.00 54.97 54.28 3kcg s GLU 255 Cb -0.01 -2.48 0.08 0.00 0.26 0.00 0.00 34.13 31.98 3kcg s GLU 255 CO -0.04 0.03 1.07 0.20 -0.54 0.00 0.00 175.26 175.98 3kcg s GLY 256 N 0.73 0.06 -0.23 -1.50 0.00 -0.96 -4.99 107.32 100.44 3kcg s GLY 256 Ca -0.08 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.17 3kcg s GLY 256 CO 0.00 2.65 0.65 0.54 0.00 0.00 0.00 173.10 176.95 3kcg s LYS 257 N -2.20 4.16 0.02 2.90 1.02 -1.26 -1.84 119.74 122.53 3kcg s LYS 257 Ca 0.22 0.62 -0.02 0.00 0.02 0.00 0.00 55.97 56.81 3kcg s LYS 257 Cb -0.02 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3kcg s LYS 257 CO 0.04 -0.36 0.02 -0.06 -0.92 0.00 0.00 175.35 174.07 3kcg s PHE 258 N 2.33 0.20 -0.02 3.18 0.08 -0.87 -4.85 117.98 118.03 3kcg s PHE 258 Ca 0.28 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 3kcg s PHE 258 Cb -0.16 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.09 3kcg s PHE 258 CO 0.09 -0.22 1.44 1.03 -0.10 0.00 0.00 175.22 177.46 3kcg s ARG 259 N -1.45 4.26 0.12 0.44 0.52 -1.26 -1.57 118.95 120.01 3kcg s ARG 259 Ca -0.16 1.99 -0.08 0.00 -0.52 0.00 0.00 55.73 56.96 3kcg s ARG 259 Cb -0.09 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.72 3kcg s ARG 259 CO -0.00 -0.64 0.22 -0.47 0.02 0.00 0.00 175.30 174.43 3kcg s TYR 260 N 2.77 0.28 -0.29 -0.53 5.04 -0.48 -1.96 117.35 122.17 3kcg s TYR 260 Ca 0.65 -0.68 -0.19 0.00 -2.44 0.00 0.00 57.07 54.41 3kcg s TYR 260 Cb -0.31 -0.07 0.13 0.00 0.35 0.00 0.00 41.96 42.06 3kcg s TYR 260 CO 0.26 -0.61 0.96 0.50 -1.34 0.00 0.00 175.55 175.32 3kcg s ARG 261 N -3.91 0.45 -0.34 4.97 6.06 -0.73 -1.79 118.95 123.67 3kcg s ARG 261 Ca 0.11 0.70 -0.14 0.00 -2.50 0.00 0.00 55.73 53.89 3kcg s ARG 261 Cb 0.04 0.13 -0.02 0.00 0.06 0.00 0.00 34.95 35.17 3kcg s ARG 261 CO -0.06 -0.08 0.32 0.50 -2.50 0.00 0.00 175.30 173.47 3kcg s ARG 262 N 1.05 3.56 0.00 5.12 3.52 -1.26 -0.86 118.95 130.07 3kcg s ARG 262 Ca -0.06 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 3kcg s ARG 262 Cb -0.04 -3.80 0.00 0.00 -1.56 0.00 0.00 34.95 29.55 3kcg s ARG 262 CO -0.13 -0.48 0.00 1.33 -0.81 0.00 0.00 175.30 175.21 3kcg n VAL 263 N 5.19 0.00 -1.59 7.11 0.24 0.14 -4.92 118.33 124.49 3kcg n VAL 263 Ca -0.10 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.76 3kcg n VAL 263 Cb 0.50 -1.26 -0.01 0.00 -1.47 0.00 0.00 33.84 31.60 3kcg n VAL 263 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kcg n ALA 264 N -3.00 -0.12 -1.49 2.33 0.00 -1.26 -1.90 120.51 115.07 3kcg n ALA 264 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 3kcg n ALA 264 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 3kcg n ALA 264 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kcg n GLU 265 N 0.59 -1.05 -0.98 0.00 1.02 -1.26 -3.15 120.64 115.80 3kcg n GLU 265 Ca 0.09 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 3kcg n GLU 265 Cb 0.34 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 3kcg n GLU 265 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kcg n GLY 266 N -1.12 0.57 3.73 0.62 0.00 -0.80 -4.55 105.19 103.64 3kcg n GLY 266 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3kcg n GLY 266 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kcg s THR 267 N -2.42 3.10 -0.16 2.61 2.01 -1.19 -4.11 115.64 115.48 3kcg s THR 267 Ca 0.00 0.86 -0.09 0.00 0.31 0.00 0.00 61.69 62.78 3kcg s THR 267 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 3kcg s THR 267 CO 0.00 0.11 0.14 -1.10 -0.69 0.00 0.00 174.62 173.07 3kcg s GLN 268 N 0.26 3.86 -0.15 4.92 -0.21 0.11 0.29 119.66 128.73 3kcg s GLN 268 Ca 0.60 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.82 3kcg s GLN 268 Cb -0.38 -3.32 0.01 0.00 1.00 0.00 0.00 33.01 30.33 3kcg s GLN 268 CO 0.36 0.51 -0.21 0.08 -2.12 0.00 0.00 175.29 173.91 3kcg s VAL 269 N -0.26 2.06 -0.03 1.09 1.01 -0.04 -0.67 120.40 123.57 3kcg s VAL 269 Ca 0.11 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3kcg s VAL 269 Cb -0.11 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3kcg s VAL 269 CO 0.01 0.55 -0.12 -0.22 0.00 0.00 0.00 175.10 175.31 3kcg s LEU 270 N 0.97 1.87 -0.18 3.92 2.96 -0.50 -1.77 118.68 125.95 3kcg s LEU 270 Ca -0.03 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3kcg s LEU 270 Cb -0.15 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 3kcg s LEU 270 CO -0.06 0.11 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.28 3kcg s GLU 271 N 0.05 3.32 -0.28 1.98 2.12 -0.83 -0.02 118.70 125.05 3kcg s GLU 271 Ca -0.02 -0.68 -0.00 0.00 0.36 0.00 0.00 54.97 54.63 3kcg s GLU 271 Cb -0.09 -2.80 0.05 0.00 0.26 0.00 0.00 34.13 31.56 3kcg s GLU 271 CO 0.01 -0.04 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.13 3kcg s LEU 272 N 1.02 3.64 0.52 2.70 1.43 0.96 -4.08 118.68 124.86 3kcg s LEU 272 Ca -0.01 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.67 3kcg s LEU 272 Cb -0.15 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 3kcg s LEU 272 CO -0.01 -0.22 1.02 -2.84 0.23 0.00 0.00 176.35 174.53 3kcg s PRO 273 N 1.22 3.74 0.41 1.29 0.02 -1.26 -0.74 135.00 139.68 3kcg s PRO 273 Ca -0.05 1.16 0.08 0.00 0.02 0.00 0.00 61.00 62.20 3kcg s PRO 273 Cb -0.19 -2.10 -0.00 0.00 0.02 0.00 0.00 34.50 32.23 3kcg s PRO 273 CO -0.03 -0.46 0.50 -0.06 -0.33 0.00 0.00 177.00 176.63 3kcg s PHE 274 N -2.35 2.81 0.32 6.54 0.08 -0.60 -1.49 117.98 123.28 3kcg s PHE 274 Ca 0.63 -0.41 -0.25 0.00 0.12 0.00 0.00 56.93 57.03 3kcg s PHE 274 Cb -0.13 -2.28 -0.16 0.00 -0.57 0.00 0.00 43.02 39.88 3kcg s PHE 274 CO 0.28 -0.29 0.39 1.63 -0.10 0.00 0.00 175.22 177.13 3kcg n LYS 275 N -1.74 0.17 0.00 0.44 5.02 0.38 -1.40 118.16 121.03 3kcg n LYS 275 Ca 0.06 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3kcg n LYS 275 Cb 0.60 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 3kcg n LYS 275 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcg n GLY 276 N 2.05 2.83 4.57 0.72 0.00 -1.26 -4.42 105.19 109.67 3kcg n GLY 276 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3kcg n GLY 276 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kcg n ASP 277 N 0.00 0.00 0.16 1.61 8.00 -0.50 -4.77 116.55 121.06 3kcg n ASP 277 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3kcg n ASP 277 Cb 0.00 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.41 3kcg n ASP 277 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kcg h ASP 278 N 0.00 -0.32 -3.26 -2.24 5.19 -1.82 -3.43 116.42 110.55 3kcg h ASP 278 Ca 0.00 -0.09 -0.59 0.00 -0.62 0.00 0.00 57.03 55.73 3kcg h ASP 278 Cb 0.00 0.08 -0.08 0.00 0.18 0.00 0.00 39.33 39.51 3kcg h ASP 278 CO 0.00 -0.10 -0.20 -0.63 -3.12 0.00 0.00 179.24 175.19 3kcg s ILE 279 N -5.50 5.19 0.15 0.35 -1.09 -1.26 -0.78 121.20 118.25 3kcg s ILE 279 Ca -0.15 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 3kcg s ILE 279 Cb 0.04 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 3kcg s ILE 279 CO 0.61 0.39 0.03 0.42 -1.23 0.00 0.00 174.94 175.16 3kcg s THR 280 N 0.27 0.37 -0.12 2.92 -4.23 -0.43 -1.56 115.64 112.86 3kcg s THR 280 Ca 0.23 -1.94 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3kcg s THR 280 Cb -0.15 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 3kcg s THR 280 CO 0.09 -0.50 -0.11 -0.32 -0.54 0.00 0.00 174.62 173.24 3kcg s MET 281 N -3.98 3.29 -0.14 3.99 1.75 0.08 -1.48 119.30 122.80 3kcg s MET 281 Ca 0.23 -0.64 -0.01 0.00 -1.25 0.00 0.00 55.69 54.02 3kcg s MET 281 Cb 0.07 -2.65 -0.02 0.00 2.84 0.00 0.00 34.83 35.07 3kcg s MET 281 CO 0.02 0.30 -0.11 0.08 -0.65 0.00 0.00 175.02 174.66 3kcg s VAL 282 N 0.13 3.16 -0.08 10.11 1.01 0.16 -0.03 120.40 134.86 3kcg s VAL 282 Ca -0.05 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3kcg s VAL 282 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3kcg s VAL 282 CO 0.04 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.78 3kcg s LEU 283 N 0.46 2.86 -0.25 3.92 1.43 0.98 -0.90 118.68 127.18 3kcg s LEU 283 Ca -0.09 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3kcg s LEU 283 Cb -0.16 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.50 3kcg s LEU 283 CO 0.04 0.30 -0.11 -0.63 0.23 0.00 0.00 176.35 176.18 3kcg s ILE 284 N -0.43 2.23 -0.31 -0.59 1.01 -0.50 -1.41 121.20 121.20 3kcg s ILE 284 Ca 0.05 -1.51 -0.01 0.00 0.00 0.00 0.00 60.65 59.18 3kcg s ILE 284 Cb -0.12 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.15 3kcg s ILE 284 CO 0.02 0.05 0.01 -0.22 0.00 0.00 0.00 174.94 174.80 3kcg s LEU 285 N 1.14 4.06 0.70 2.97 2.96 0.16 -1.54 118.68 129.13 3kcg s LEU 285 Ca -0.07 -1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 52.28 3kcg s LEU 285 Cb -0.19 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.82 3kcg s LEU 285 CO -0.06 -0.29 1.08 -2.16 -1.32 0.00 0.00 176.35 173.60 3kcg s PRO 286 N 1.20 2.72 0.92 0.98 0.04 -1.26 -0.71 135.00 138.88 3kcg s PRO 286 Ca -0.03 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 3kcg s PRO 286 Cb -0.20 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.53 3kcg s PRO 286 CO -0.02 -1.28 1.09 -1.59 0.04 0.00 0.00 177.00 175.24 3kcg s LYS 287 N -4.62 1.08 0.50 4.56 -2.85 -1.26 -4.86 119.74 112.31 3kcg s LYS 287 Ca 0.62 1.02 -0.22 0.00 -1.00 0.00 0.00 55.97 56.39 3kcg s LYS 287 Cb -0.17 -1.77 -0.06 0.00 -2.06 0.00 0.00 37.83 33.77 3kcg s LYS 287 CO 0.49 -2.42 1.25 -2.14 0.10 0.00 0.00 175.35 172.64 3kcg s PRO 288 N -4.81 3.45 0.00 1.78 0.02 -1.26 -2.52 135.00 131.66 3kcg s PRO 288 Ca 0.64 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3kcg s PRO 288 Cb -0.20 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3kcg s PRO 288 CO 0.58 -0.86 0.00 -0.85 -0.33 0.00 0.00 177.00 175.54 3kcg n GLU 289 N -0.77 0.00 -3.23 5.54 -0.00 -1.26 -4.99 120.64 115.93 3kcg n GLU 289 Ca 0.09 0.00 -0.45 0.00 -0.00 0.00 0.00 57.16 56.80 3kcg n GLU 289 Cb 0.47 -0.26 -0.05 0.00 -0.00 0.00 0.00 31.44 31.60 3kcg n GLU 289 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3kcg s LYS 290 N -0.35 3.01 0.34 3.44 2.20 -1.05 -5.03 119.74 122.30 3kcg s LYS 290 Ca 0.00 -1.51 -0.25 0.00 -0.36 0.00 0.00 55.97 53.84 3kcg s LYS 290 Cb 0.00 -4.27 -0.14 0.00 -1.51 0.00 0.00 37.83 31.91 3kcg s LYS 290 CO 0.00 -1.39 0.72 -1.13 -0.36 0.00 0.00 175.35 173.19 3kcg n SER 291 N 5.70 -0.10 0.13 1.43 3.41 -1.26 -4.63 113.62 118.31 3kcg n SER 291 Ca -0.12 1.05 -0.00 0.00 -0.26 0.00 0.00 58.87 59.53 3kcg n SER 291 Cb 0.41 -1.16 0.26 0.00 -0.26 0.00 0.00 64.21 63.47 3kcg n SER 291 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kcg h LEU 292 N 1.27 0.12 -1.27 1.04 5.85 -1.95 -2.55 115.31 117.81 3kcg h LEU 292 Ca -0.38 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.37 3kcg h LEU 292 Cb 1.38 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 3kcg h LEU 292 CO 0.56 0.54 0.54 0.00 -0.34 0.00 0.00 178.44 179.74 3kcg h ALA 293 N 1.47 1.66 -0.40 1.25 0.00 -1.97 -0.83 119.26 120.44 3kcg h ALA 293 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3kcg h ALA 293 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kcg h ALA 293 CO 0.06 0.19 -0.36 1.57 0.00 0.00 0.00 179.25 180.71 3kcg h LYS 294 N 0.85 0.95 0.00 0.00 5.09 -1.81 -2.99 116.57 118.66 3kcg h LYS 294 Ca 0.37 -0.49 -0.06 0.00 0.09 0.00 0.00 60.65 60.56 3kcg h LYS 294 Cb 0.34 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 3kcg h LYS 294 CO -0.14 1.15 -0.29 0.28 -2.09 0.00 0.00 179.45 178.36 3kcg h VAL 295 N 0.78 0.94 -0.10 0.07 2.07 -1.17 -0.77 116.25 118.07 3kcg h VAL 295 Ca 0.07 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 3kcg h VAL 295 Cb 0.96 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3kcg h VAL 295 CO 0.09 0.28 -0.11 -0.33 0.02 0.00 0.00 177.57 177.52 3kcg h GLU 296 N 0.00 0.25 -0.09 1.57 5.08 -1.06 -3.28 114.58 117.05 3kcg h GLU 296 Ca -0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 57.98 3kcg h GLU 296 Cb 0.62 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.89 3kcg h GLU 296 CO 0.04 0.69 -0.86 0.87 -1.00 0.00 0.00 179.01 178.74 3kcg h LYS 297 N -0.17 0.71 -2.89 2.33 6.56 -1.50 -3.35 116.57 118.28 3kcg h LYS 297 Ca 0.01 -0.64 -0.72 0.00 -1.06 0.00 0.00 60.65 58.24 3kcg h LYS 297 Cb 0.65 0.15 -0.07 0.00 -0.57 0.00 0.00 32.23 32.39 3kcg h LYS 297 CO 0.03 1.25 2.91 -1.91 -2.06 0.00 0.00 179.45 179.66 3kcg n GLU 298 N -3.89 4.14 -3.15 3.15 2.13 -0.30 -4.80 120.64 117.91 3kcg n GLU 298 Ca -0.08 -3.00 0.05 0.00 0.66 0.00 0.00 57.16 54.78 3kcg n GLU 298 Cb 0.79 -2.74 -0.01 0.00 0.27 0.00 0.00 31.44 29.74 3kcg n GLU 298 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3kcg s LEU 299 N -0.98 -0.77 0.16 4.31 2.96 -1.25 -4.78 118.68 118.33 3kcg s LEU 299 Ca 0.58 0.49 0.04 0.00 -0.22 0.00 0.00 54.13 55.02 3kcg s LEU 299 Cb 0.17 1.65 -0.04 0.00 0.50 0.00 0.00 46.19 48.47 3kcg s LEU 299 CO -0.07 -0.14 0.18 0.28 -1.32 0.00 0.00 176.35 175.27 3kcg s THR 300 N 2.92 4.71 0.35 3.68 -1.32 -1.26 -4.98 115.64 119.74 3kcg s THR 300 Ca 0.06 -0.99 0.17 0.00 -1.21 0.00 0.00 61.69 59.72 3kcg s THR 300 Cb -0.12 -3.42 0.35 0.00 -1.51 0.00 0.00 72.50 67.80 3kcg s THR 300 CO -0.14 -0.12 1.61 -0.65 -2.21 0.00 0.00 174.62 173.11 3kcg h PRO 301 N 2.29 0.10 0.29 7.08 0.11 -1.99 0.79 132.00 140.66 3kcg h PRO 301 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kcg h PRO 301 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3kcg h PRO 301 CO 0.64 0.07 -0.26 0.93 -0.21 0.00 0.00 178.00 179.17 3kcg h GLU 302 N 0.10 -0.54 -0.08 1.05 3.07 -1.99 -1.61 114.58 114.58 3kcg h GLU 302 Ca 0.78 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.72 3kcg h GLU 302 Cb 1.94 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 29.93 3kcg h GLU 302 CO -0.73 -0.36 -0.20 -0.24 -1.40 0.00 0.00 179.01 176.08 3kcg h VAL 303 N -0.56 0.52 -0.46 3.13 3.04 -1.25 -0.81 116.25 119.85 3kcg h VAL 303 Ca -0.01 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.74 3kcg h VAL 303 Cb 0.51 0.52 -0.06 0.00 -2.01 0.00 0.00 31.29 30.25 3kcg h VAL 303 CO -0.04 0.00 0.14 0.25 -1.01 0.00 0.00 177.57 176.91 3kcg h LEU 304 N -0.28 0.11 -1.21 3.16 6.46 -1.38 -0.88 115.31 121.30 3kcg h LEU 304 Ca 0.08 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3kcg h LEU 304 Cb 0.39 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 3kcg h LEU 304 CO -0.24 0.09 0.32 -0.61 -0.62 0.00 0.00 178.44 177.39 3kcg h GLN 305 N 0.29 0.87 -0.68 1.25 5.75 -0.94 -1.45 115.11 120.20 3kcg h GLN 305 Ca 0.22 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 3kcg h GLN 305 Cb 0.25 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3kcg h GLN 305 CO -0.25 0.66 0.36 1.49 -2.65 0.00 0.00 178.83 178.43 3kcg h GLU 306 N 0.87 0.96 -0.10 1.69 4.57 0.16 -1.60 114.58 121.14 3kcg h GLU 306 Ca 0.22 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3kcg h GLU 306 Cb 0.05 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3kcg h GLU 306 CO -0.03 0.73 0.03 -1.49 -1.18 0.00 0.00 179.01 177.07 3kcg h TRP 307 N 0.94 0.16 -0.25 0.92 6.55 -0.58 -2.50 115.95 121.19 3kcg h TRP 307 Ca 0.24 -0.02 0.07 0.00 0.95 0.00 0.00 58.89 60.14 3kcg h TRP 307 Cb 0.06 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.30 3kcg h TRP 307 CO -0.00 0.30 0.19 -0.07 -1.05 0.00 0.00 178.44 177.81 3kcg h LEU 308 N -0.02 0.00 -0.18 -4.49 3.38 -1.03 0.15 115.31 113.12 3kcg h LEU 308 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kcg h LEU 308 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kcg h LEU 308 CO -0.00 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.97 3kcg h ASP 309 N 0.00 0.00 0.06 -0.43 5.19 -0.89 -3.19 116.42 117.16 3kcg h ASP 309 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3kcg h ASP 309 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3kcg h ASP 309 CO -0.00 0.00 -0.28 -0.62 -3.12 0.00 0.00 179.24 175.21 3kcg n GLU 310 N -3.02 1.30 -1.92 3.56 1.02 0.47 -4.95 120.64 117.10 3kcg n GLU 310 Ca 0.04 -0.96 -0.41 0.00 -0.02 0.00 0.00 57.16 55.80 3kcg n GLU 310 Cb 0.49 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 3kcg n GLU 310 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kcg s LEU 311 N -2.36 4.37 -0.02 -4.62 1.43 -0.95 -4.84 118.68 111.69 3kcg s LEU 311 Ca 0.24 2.81 0.02 0.00 -1.03 0.00 0.00 54.13 56.17 3kcg s LEU 311 Cb 0.19 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3kcg s LEU 311 CO 0.49 -0.78 -0.07 -1.83 0.23 0.00 0.00 176.35 174.39 3kcg s GLU 312 N -0.75 0.77 0.24 1.70 1.03 -0.74 -4.81 118.70 116.13 3kcg s GLU 312 Ca 0.59 -0.25 -0.30 0.00 0.03 0.00 0.00 54.97 55.04 3kcg s GLU 312 Cb -0.44 -0.74 -0.10 0.00 -0.80 0.00 0.00 34.13 32.05 3kcg s GLU 312 CO 0.48 0.10 1.46 -2.00 -1.33 0.00 0.00 175.26 173.97 3kcg s GLU 313 N 0.16 4.25 -0.12 -4.83 2.56 -1.26 -1.38 118.70 118.08 3kcg s GLU 313 Ca -0.02 2.32 -0.30 0.00 0.00 0.00 0.00 54.97 56.97 3kcg s GLU 313 Cb -0.07 -3.11 0.11 0.00 2.00 0.00 0.00 34.13 33.06 3kcg s GLU 313 CO 0.00 -0.45 0.91 0.00 -0.56 0.00 0.00 175.26 175.15 3kcg s MET 314 N -0.18 0.73 0.16 4.30 0.23 -0.61 -4.91 119.30 119.02 3kcg s MET 314 Ca 0.61 0.15 -0.31 0.00 -1.03 0.00 0.00 55.69 55.11 3kcg s MET 314 Cb -0.42 0.34 -0.09 0.00 -1.53 0.00 0.00 34.83 33.13 3kcg s MET 314 CO 0.42 -0.23 1.43 -1.64 -2.03 0.00 0.00 175.02 172.96 3kcg s MET 315 N -1.24 4.30 0.24 3.16 -1.94 -1.26 -2.04 119.30 120.51 3kcg s MET 315 Ca -0.04 2.18 -0.20 0.00 -1.71 0.00 0.00 55.69 55.92 3kcg s MET 315 Cb -0.00 -3.19 0.03 0.00 2.01 0.00 0.00 34.83 33.67 3kcg s MET 315 CO 0.03 -0.44 0.64 -0.48 -0.01 0.00 0.00 175.02 174.76 3kcg s LEU 316 N 0.65 -0.23 -0.22 -0.03 0.05 -0.77 -4.47 118.68 113.67 3kcg s LEU 316 Ca 0.64 -0.47 -0.07 0.00 0.05 0.00 0.00 54.13 54.27 3kcg s LEU 316 Cb -0.39 2.53 -0.03 0.00 -2.05 0.00 0.00 46.19 46.24 3kcg s LEU 316 CO 0.34 -1.20 0.06 -0.69 -0.55 0.00 0.00 176.35 174.32 3kcg s VAL 317 N -3.88 4.46 -0.19 1.48 1.01 -0.65 -2.27 120.40 120.36 3kcg s VAL 317 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 3kcg s VAL 317 Cb -0.04 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3kcg s VAL 317 CO 0.01 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.75 3kcg s VAL 318 N 1.11 3.47 -0.22 2.92 1.01 -0.30 -0.76 120.40 127.63 3kcg s VAL 318 Ca 0.04 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3kcg s VAL 318 Cb -0.14 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3kcg s VAL 318 CO 0.03 0.45 -0.02 -1.00 0.00 0.00 0.00 175.10 174.57 3kcg s HIS 319 N 1.01 2.99 -0.08 5.22 3.76 0.56 -2.25 115.29 126.51 3kcg s HIS 319 Ca 0.00 -0.74 -0.04 0.00 -0.15 0.00 0.00 55.06 54.13 3kcg s HIS 319 Cb -0.15 -2.12 0.03 0.00 1.11 0.00 0.00 32.58 31.46 3kcg s HIS 319 CO 0.00 -0.45 0.18 1.41 -0.85 0.00 0.00 174.74 175.04 3kcg s MET 320 N 1.38 0.16 0.50 1.40 0.00 -0.52 -0.89 119.30 121.33 3kcg s MET 320 Ca 0.05 0.37 -0.18 0.00 0.00 0.00 0.00 55.69 55.93 3kcg s MET 320 Cb -0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 34.83 34.53 3kcg s MET 320 CO -0.01 -0.12 0.99 -1.25 0.00 0.00 0.00 175.02 174.64 3kcg s PRO 321 N 0.84 3.91 -0.14 4.11 0.04 -1.26 0.37 135.00 142.87 3kcg s PRO 321 Ca -0.06 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 3kcg s PRO 321 Cb -0.08 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 3kcg s PRO 321 CO -0.05 -0.31 0.23 -0.98 0.04 0.00 0.00 177.00 175.93 3kcg s ARG 322 N -3.79 3.98 0.26 4.56 1.70 -0.35 -4.82 118.95 120.49 3kcg s ARG 322 Ca 0.61 -0.00 -0.09 0.00 -0.47 0.00 0.00 55.73 55.78 3kcg s ARG 322 Cb -0.11 -3.33 0.04 0.00 -0.57 0.00 0.00 34.95 30.97 3kcg s ARG 322 CO 0.27 0.46 0.51 1.97 -1.08 0.00 0.00 175.30 177.42 3kcg n PHE 323 N 2.91 -1.83 -3.84 5.89 -1.74 -0.46 -4.60 117.46 113.79 3kcg n PHE 323 Ca -0.15 -1.30 -0.12 0.00 -0.56 0.00 0.00 57.45 55.31 3kcg n PHE 323 Cb 0.53 0.60 -0.13 0.00 1.52 0.00 0.00 39.48 41.99 3kcg n PHE 323 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3kcg s ARG 324 N -2.12 0.08 -0.08 3.97 0.52 -1.26 -0.39 118.95 119.67 3kcg s ARG 324 Ca 0.12 0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 3kcg s ARG 324 Cb -0.03 0.02 0.01 0.00 0.52 0.00 0.00 34.95 35.47 3kcg s ARG 324 CO 0.09 -0.02 -0.12 0.42 0.02 0.00 0.00 175.30 175.68 3kcg s ILE 325 N 0.14 1.19 -0.24 1.52 1.01 0.22 -4.98 121.20 120.06 3kcg s ILE 325 Ca -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3kcg s ILE 325 Cb -0.02 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.41 3kcg s ILE 325 CO -0.00 0.37 -0.13 -0.70 0.00 0.00 0.00 174.94 174.48 3kcg s GLU 326 N 0.84 2.38 -0.18 2.79 2.12 -1.26 -0.64 118.70 124.75 3kcg s GLU 326 Ca -0.11 -1.17 0.00 0.00 0.36 0.00 0.00 54.97 54.05 3kcg s GLU 326 Cb -0.15 -2.77 0.04 0.00 0.26 0.00 0.00 34.13 31.51 3kcg s GLU 326 CO 0.02 -0.47 -0.08 0.34 -0.54 0.00 0.00 175.26 174.52 3kcg s ASP 327 N 1.18 3.06 -0.05 -1.70 2.15 -0.24 -5.01 116.67 116.06 3kcg s ASP 327 Ca -0.05 -0.75 0.05 0.00 0.43 0.00 0.00 52.55 52.23 3kcg s ASP 327 Cb -0.18 -1.06 -0.01 0.00 -0.30 0.00 0.00 42.92 41.37 3kcg s ASP 327 CO -0.07 -0.16 -0.20 -0.83 -0.17 0.00 0.00 175.17 173.73 3kcg s GLY 328 N 1.53 1.07 0.12 2.66 0.00 -1.26 -0.97 107.32 110.47 3kcg s GLY 328 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 44.72 43.64 3kcg s GLY 328 CO -0.08 -0.47 0.65 -0.11 0.00 0.00 0.00 173.10 173.09 3kcg s PHE 329 N -0.04 -0.51 0.25 1.90 -0.71 -0.04 -4.99 117.98 113.84 3kcg s PHE 329 Ca -0.04 0.35 -0.18 0.00 -1.04 0.00 0.00 56.93 56.02 3kcg s PHE 329 Cb -0.12 0.55 -0.08 0.00 -1.21 0.00 0.00 43.02 42.15 3kcg s PHE 329 CO 0.03 -0.79 0.72 0.45 -1.34 0.00 0.00 175.22 174.29 3kcg s SER 330 N -2.63 6.95 -0.01 1.98 0.15 -1.26 -1.51 113.70 117.37 3kcg s SER 330 Ca 0.01 1.36 0.15 0.00 0.70 0.00 0.00 55.95 58.17 3kcg s SER 330 Cb -0.01 -2.40 -0.20 0.00 -1.71 0.00 0.00 66.02 61.70 3kcg s SER 330 CO -0.11 -0.05 0.49 0.18 1.20 0.00 0.00 173.24 174.95 3kcg n LEU 331 N 0.35 0.36 0.10 3.45 4.32 -0.10 -4.79 117.00 120.70 3kcg n LEU 331 Ca -0.00 -0.26 -0.14 0.00 -0.02 0.00 0.00 56.01 55.59 3kcg n LEU 331 Cb 0.52 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.23 3kcg n LEU 331 CO 0.42 0.09 0.51 0.50 -1.22 0.00 0.00 177.39 177.70 3kcg h LYS 332 N 0.00 -0.62 -0.74 3.23 3.64 -1.95 -0.98 116.57 119.15 3kcg h LYS 332 Ca 0.00 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 3kcg h LYS 332 Cb 0.52 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.37 3kcg h LYS 332 CO 0.00 -0.41 0.15 0.93 -2.27 0.00 0.00 179.45 177.85 3kcg h GLU 333 N -0.64 0.23 -0.33 1.90 4.39 -1.98 0.47 114.58 118.62 3kcg h GLU 333 Ca -0.01 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3kcg h GLU 333 Cb 0.64 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3kcg h GLU 333 CO -0.24 0.15 0.04 1.96 -1.16 0.00 0.00 179.01 179.76 3kcg h GLN 334 N 0.24 0.55 -0.37 2.33 7.50 -1.83 -1.94 115.11 121.58 3kcg h GLN 334 Ca 0.42 -0.15 -0.10 0.00 0.50 0.00 0.00 58.65 59.31 3kcg h GLN 334 Cb 0.72 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.17 3kcg h GLN 334 CO -0.53 0.65 -0.19 -0.07 -1.50 0.00 0.00 178.83 177.19 3kcg h LEU 335 N 0.37 0.70 -0.75 1.46 3.38 0.14 -2.25 115.31 118.35 3kcg h LEU 335 Ca 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kcg h LEU 335 Cb 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kcg h LEU 335 CO 0.01 0.88 0.35 1.56 0.09 0.00 0.00 178.44 181.33 3kcg h GLN 336 N 0.62 1.09 0.00 1.13 4.20 -0.02 -0.57 115.11 121.56 3kcg h GLN 336 Ca 0.10 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3kcg h GLN 336 Cb 0.66 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kcg h GLN 336 CO 0.05 0.86 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.49 3kcg h ASP 337 N 1.06 0.00 0.28 1.46 3.32 -1.01 -1.21 116.42 120.33 3kcg h ASP 337 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kcg h ASP 337 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3kcg h ASP 337 CO -0.03 0.14 -0.11 0.23 -1.72 0.00 0.00 179.24 177.74 3kcg n MET 338 N -3.67 0.83 0.00 3.56 2.81 -0.61 -4.91 117.12 115.12 3kcg n MET 338 Ca -0.02 -0.33 0.00 0.00 -1.81 0.00 0.00 57.70 55.54 3kcg n MET 338 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3kcg n MET 338 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kcg n GLY 339 N 1.26 1.08 3.51 3.03 0.00 -0.46 -4.82 105.19 108.79 3kcg n GLY 339 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3kcg n GLY 339 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kcg s LEU 340 N 0.00 4.18 -0.13 0.99 1.98 -0.32 -4.79 118.68 120.59 3kcg s LEU 340 Ca 0.00 -1.64 -0.14 0.00 -2.89 0.00 0.00 54.13 49.46 3kcg s LEU 340 Cb 0.00 -2.49 -0.05 0.00 0.66 0.00 0.00 46.19 44.31 3kcg s LEU 340 CO 0.00 -1.33 -0.28 0.52 -1.89 0.00 0.00 176.35 173.37 3kcg n VAL 341 N 6.24 1.43 -0.33 1.68 0.31 -1.26 -3.53 118.33 122.87 3kcg n VAL 341 Ca 0.26 0.16 0.10 0.00 -0.01 0.00 0.00 64.34 64.85 3kcg n VAL 341 Cb 0.50 -2.16 0.27 0.00 -0.91 0.00 0.00 33.84 31.54 3kcg n VAL 341 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3kcg h ASP 342 N -0.80 0.69 -0.75 4.52 5.19 -1.90 -2.00 116.42 121.37 3kcg h ASP 342 Ca -0.04 0.09 0.20 0.00 -0.62 0.00 0.00 57.03 56.65 3kcg h ASP 342 Cb 0.85 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 3kcg h ASP 342 CO -0.03 0.27 0.52 0.25 -3.12 0.00 0.00 179.24 177.13 3kcg h LEU 343 N 0.72 0.13 -2.05 1.55 5.85 -1.87 -0.39 115.31 119.25 3kcg h LEU 343 Ca 0.53 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.26 3kcg h LEU 343 Cb 0.77 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3kcg h LEU 343 CO -0.37 0.06 0.00 0.49 -0.34 0.00 0.00 178.44 178.28 3kcg n PHE 344 N -4.38 0.27 -3.53 1.25 3.72 -0.76 -1.08 117.46 112.95 3kcg n PHE 344 Ca 0.15 -0.14 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 3kcg n PHE 344 Cb 0.72 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.16 3kcg n PHE 344 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kcg s SER 345 N -1.71 6.10 0.25 4.37 0.15 -0.21 -4.77 113.70 117.88 3kcg s SER 345 Ca 0.34 0.10 -0.03 0.00 0.70 0.00 0.00 55.95 57.05 3kcg s SER 345 Cb 0.21 -2.15 0.46 0.00 -1.71 0.00 0.00 66.02 62.84 3kcg s SER 345 CO 0.31 -0.09 1.75 -0.65 1.20 0.00 0.00 173.24 175.77 3kcg h PRO 346 N 8.26 0.53 0.22 5.44 0.11 -1.90 0.75 132.00 145.40 3kcg h PRO 346 Ca -0.34 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 65.41 3kcg h PRO 346 Cb 1.18 -0.12 0.03 0.00 0.11 0.00 0.00 31.00 32.20 3kcg h PRO 346 CO 0.59 0.35 -1.47 1.49 -0.21 0.00 0.00 178.00 178.75 3kcg h GLU 347 N 0.55 0.47 0.09 1.05 4.81 -1.94 -3.39 114.58 116.22 3kcg h GLU 347 Ca 0.42 -0.80 -0.26 0.00 -0.13 0.00 0.00 59.36 58.60 3kcg h GLU 347 Cb 0.59 0.30 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3kcg h GLU 347 CO -0.36 1.38 -1.20 0.87 -0.73 0.00 0.00 179.01 178.97 3kcg h LYS 348 N 0.13 0.18 -6.40 1.92 1.57 -1.77 -3.47 116.57 108.73 3kcg h LYS 348 Ca -0.24 -0.31 -0.63 0.00 -1.87 0.00 0.00 60.65 57.60 3kcg h LYS 348 Cb 2.12 0.12 0.06 0.00 0.08 0.00 0.00 32.23 34.61 3kcg h LYS 348 CO 0.25 1.13 0.59 0.45 -0.57 0.00 0.00 179.45 181.30 3kcg n SER 349 N -3.46 2.30 -3.85 0.86 2.88 0.24 -4.82 113.62 107.77 3kcg n SER 349 Ca -0.07 1.11 -0.30 0.00 -1.33 0.00 0.00 58.87 58.28 3kcg n SER 349 Cb 1.00 -1.31 -0.15 0.00 -0.75 0.00 0.00 64.21 63.01 3kcg n SER 349 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3kcg s LYS 350 N 0.53 1.23 -0.41 -1.46 -0.14 -1.26 -4.78 119.74 113.45 3kcg s LYS 350 Ca 0.80 -1.70 0.10 0.00 -1.36 0.00 0.00 55.97 53.81 3kcg s LYS 350 Cb -0.81 -2.62 0.42 0.00 -1.68 0.00 0.00 37.83 33.14 3kcg s LYS 350 CO 0.44 -1.02 1.02 1.28 -0.76 0.00 0.00 175.35 176.31 3kcg n LEU 351 N 4.20 3.39 0.25 3.17 4.77 -1.26 -1.81 117.00 129.71 3kcg n LEU 351 Ca 0.03 -4.74 0.17 0.00 -0.03 0.00 0.00 56.01 51.44 3kcg n LEU 351 Cb 0.39 -0.11 0.90 0.00 -2.33 0.00 0.00 43.42 42.28 3kcg n LEU 351 CO 0.20 2.02 1.15 1.55 -1.33 0.00 0.00 177.39 180.98 3kcg h PRO 352 N 2.78 0.00 0.00 3.23 0.13 -1.64 -1.52 132.00 134.98 3kcg h PRO 352 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3kcg h PRO 352 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3kcg h PRO 352 CO 0.71 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.26 3kcg h GLY 353 N 0.00 0.00 0.09 1.56 0.00 -1.49 -3.17 103.07 100.05 3kcg h GLY 353 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.99 3kcg h GLY 353 CO -0.00 0.00 -2.27 1.39 0.00 0.00 0.00 176.54 175.66 3kcg n ILE 354 N -3.06 1.55 -3.75 2.60 5.41 -0.60 -4.57 119.36 116.95 3kcg n ILE 354 Ca 0.01 -0.44 -0.19 0.00 1.00 0.00 0.00 62.75 63.13 3kcg n ILE 354 Cb 0.32 -1.72 -0.17 0.00 -0.71 0.00 0.00 39.64 37.35 3kcg n ILE 354 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3kcg s VAL 355 N -2.50 0.02 0.29 1.39 1.01 -1.06 -0.40 120.40 119.15 3kcg s VAL 355 Ca -0.34 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 3kcg s VAL 355 Cb 0.10 -0.22 -0.14 0.00 0.00 0.00 0.00 36.38 36.13 3kcg s VAL 355 CO 0.58 0.17 1.05 0.00 0.00 0.00 0.00 175.10 176.91 3kcg n ALA 356 N 4.90 -0.08 -1.66 5.51 0.00 -1.20 -3.89 120.51 124.08 3kcg n ALA 356 Ca -0.12 0.39 -0.49 0.00 0.00 0.00 0.00 53.44 53.22 3kcg n ALA 356 Cb 0.50 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 3kcg n ALA 356 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kcg n GLU 357 N 0.78 1.84 0.00 0.00 4.07 -1.26 -4.89 120.64 121.18 3kcg n GLU 357 Ca 0.09 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 57.86 3kcg n GLU 357 Cb 0.32 -2.42 0.00 0.00 -0.06 0.00 0.00 31.44 29.28 3kcg n GLU 357 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kcg n GLY 358 N 3.52 2.67 0.25 8.31 0.00 -1.26 -5.04 105.19 113.64 3kcg n GLY 358 Ca 0.19 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 3kcg n GLY 358 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kcg h ARG 359 N 0.00 0.66 -6.69 1.61 -0.00 -2.03 -3.43 114.38 104.50 3kcg h ARG 359 Ca 0.00 -0.28 -0.50 0.00 -0.00 0.00 0.00 59.98 59.20 3kcg h ARG 359 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 29.93 3kcg h ARG 359 CO 0.00 0.87 0.35 -0.51 -0.00 0.00 0.00 179.97 180.69 3kcg s ASP 360 N -6.80 7.60 0.06 0.08 1.01 -1.26 -5.03 116.67 112.33 3kcg s ASP 360 Ca -0.08 1.90 -0.23 0.00 0.71 0.00 0.00 52.55 54.85 3kcg s ASP 360 Cb 0.13 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 3kcg s ASP 360 CO 0.82 0.09 0.70 -1.81 0.21 0.00 0.00 175.17 175.18 3kcg s ASP 361 N -0.81 7.16 -0.23 0.27 1.01 -1.26 -5.01 116.67 117.80 3kcg s ASP 361 Ca 0.43 1.38 0.02 0.00 0.71 0.00 0.00 52.55 55.09 3kcg s ASP 361 Cb -0.25 -2.43 0.05 0.00 1.01 0.00 0.00 42.92 41.29 3kcg s ASP 361 CO 0.31 0.11 -0.12 -0.22 0.21 0.00 0.00 175.17 175.46 3kcg s LEU 362 N -0.44 2.86 0.15 1.23 2.96 -1.26 -5.05 118.68 119.12 3kcg s LEU 362 Ca 0.35 -1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.06 3kcg s LEU 362 Cb -0.20 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 3kcg s LEU 362 CO 0.21 -0.14 0.25 -0.72 -1.32 0.00 0.00 176.35 174.63 3kcg s TYR 363 N 1.22 0.38 -0.27 5.38 1.13 -1.26 -4.51 117.35 119.43 3kcg s TYR 363 Ca -0.04 -0.76 -0.25 0.00 -1.41 0.00 0.00 57.07 54.61 3kcg s TYR 363 Cb -0.18 -0.08 -0.00 0.00 -1.10 0.00 0.00 41.96 40.60 3kcg s TYR 363 CO -0.07 -0.67 0.84 0.08 -2.51 0.00 0.00 175.55 173.21 3kcg s VAL 364 N -3.95 4.80 0.08 -3.49 1.01 -0.24 -3.55 120.40 115.06 3kcg s VAL 364 Ca 0.15 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 3kcg s VAL 364 Cb 0.04 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 3kcg s VAL 364 CO -0.02 -0.16 1.37 0.28 0.00 0.00 0.00 175.10 176.58 3kcg h SER 365 N 7.83 0.71 -5.42 3.32 0.02 -0.99 -3.40 113.55 115.63 3kcg h SER 365 Ca -0.23 -0.51 0.29 0.00 -0.84 0.00 0.00 61.79 60.50 3kcg h SER 365 Cb 1.09 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 63.30 3kcg h SER 365 CO 0.89 1.09 0.78 -0.62 -1.14 0.00 0.00 176.83 177.83 3kcg s ASP 366 N -6.57 -0.09 -0.04 3.07 -1.08 -1.24 -5.01 116.67 105.71 3kcg s ASP 366 Ca -0.12 -0.13 0.03 0.00 -0.52 0.00 0.00 52.55 51.80 3kcg s ASP 366 Cb 0.08 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 3kcg s ASP 366 CO 0.83 -0.35 -0.12 0.00 0.52 0.00 0.00 175.17 176.05 3kcg s ALA 367 N -2.52 1.11 -0.09 3.66 0.00 -1.26 -2.25 121.76 120.41 3kcg s ALA 367 Ca 0.13 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3kcg s ALA 367 Cb 0.03 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 3kcg s ALA 367 CO -0.04 0.16 -0.24 -0.06 0.00 0.00 0.00 175.76 175.59 3kcg s PHE 368 N 0.29 2.53 0.06 0.00 0.08 0.44 -0.92 117.98 120.47 3kcg s PHE 368 Ca -0.06 -0.99 0.09 0.00 0.12 0.00 0.00 56.93 56.09 3kcg s PHE 368 Cb -0.11 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3kcg s PHE 368 CO 0.02 -0.38 -0.25 -1.58 -0.10 0.00 0.00 175.22 172.92 3kcg s HIS 369 N 0.25 2.20 -0.18 0.36 5.65 -0.57 -1.27 115.29 121.73 3kcg s HIS 369 Ca -0.16 -0.40 -0.06 0.00 0.25 0.00 0.00 55.06 54.69 3kcg s HIS 369 Cb -0.17 -1.30 0.08 0.00 -1.18 0.00 0.00 32.58 30.02 3kcg s HIS 369 CO 0.08 0.15 0.35 0.21 -0.65 0.00 0.00 174.74 174.88 3kcg s LYS 370 N -1.34 0.25 0.03 2.88 2.20 -0.89 -0.86 119.74 122.01 3kcg s LYS 370 Ca 0.11 0.86 0.08 0.00 -0.36 0.00 0.00 55.97 56.65 3kcg s LYS 370 Cb -0.10 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 3kcg s LYS 370 CO 0.03 -0.31 -0.23 0.00 -0.36 0.00 0.00 175.35 174.47 3kcg s ALA 371 N 2.53 1.93 -0.09 3.13 0.00 -0.15 -1.35 121.76 127.76 3kcg s ALA 371 Ca 0.01 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3kcg s ALA 371 Cb -0.12 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3kcg s ALA 371 CO -0.11 0.45 -0.09 0.12 0.00 0.00 0.00 175.76 176.13 3kcg s PHE 372 N -0.73 1.39 -0.09 0.00 2.19 0.10 -1.07 117.98 119.76 3kcg s PHE 372 Ca 0.09 -0.61 0.02 0.00 0.33 0.00 0.00 56.93 56.76 3kcg s PHE 372 Cb -0.09 -1.11 -0.02 0.00 -1.31 0.00 0.00 43.02 40.49 3kcg s PHE 372 CO 0.01 -0.40 -0.14 -1.17 1.83 0.00 0.00 175.22 175.36 3kcg s LEU 373 N 1.27 2.72 -0.09 6.12 2.96 0.19 -0.84 118.68 131.00 3kcg s LEU 373 Ca -0.03 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3kcg s LEU 373 Cb -0.14 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.99 3kcg s LEU 373 CO -0.03 0.25 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.44 3kcg s GLU 374 N -0.13 1.69 -0.13 1.98 2.12 -0.53 -0.61 118.70 123.09 3kcg s GLU 374 Ca -0.01 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 54.96 3kcg s GLU 374 Cb -0.14 -1.55 0.02 0.00 0.26 0.00 0.00 34.13 32.72 3kcg s GLU 374 CO 0.03 -0.12 -0.15 0.08 -0.54 0.00 0.00 175.26 174.57 3kcg s VAL 375 N 1.16 1.55 0.00 3.70 1.01 0.47 -4.11 120.40 124.19 3kcg s VAL 375 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3kcg s VAL 375 Cb -0.14 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3kcg s VAL 375 CO -0.02 0.45 0.00 -0.46 0.00 0.00 0.00 175.10 175.07 3kcg n ASN 376 N 4.54 0.00 0.21 3.32 0.23 -1.26 -1.36 115.26 120.94 3kcg n ASN 376 Ca -0.18 -0.42 0.11 0.00 -0.53 0.00 0.00 54.58 53.56 3kcg n ASN 376 Cb 0.51 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.37 3kcg n ASN 376 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kcg h GLU 377 N 0.00 0.00 -6.57 -3.83 3.07 -1.96 -3.47 114.58 101.82 3kcg h GLU 377 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 3kcg h GLU 377 Cb 0.00 0.00 0.12 0.00 -0.84 0.00 0.00 28.75 28.03 3kcg h GLU 377 CO 0.00 0.07 0.17 0.39 -1.40 0.00 0.00 179.01 178.25 3kcg n GLU 378 N -3.12 1.44 -3.86 2.33 -0.58 -1.26 -2.35 120.64 113.23 3kcg n GLU 378 Ca 0.04 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 3kcg n GLU 378 Cb 0.55 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 3kcg n GLU 378 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kcg n GLY 379 N 1.16 -1.02 3.80 0.62 0.00 -1.26 -2.10 105.19 106.39 3kcg n GLY 379 Ca 0.09 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 3kcg n GLY 379 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kcg s SER 380 N -4.00 7.15 0.37 1.61 0.01 0.18 -4.73 113.70 114.29 3kcg s SER 380 Ca 0.00 1.66 -0.28 0.00 1.31 0.00 0.00 55.95 58.64 3kcg s SER 380 Cb 0.00 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 3kcg s SER 380 CO 0.00 -0.10 1.40 -1.61 0.41 0.00 0.00 173.24 173.34 3kcg s GLU 381 N -2.30 4.12 0.30 12.44 0.41 -1.26 -0.88 118.70 131.52 3kcg s GLU 381 Ca 0.51 2.39 -0.29 0.00 -0.41 0.00 0.00 54.97 57.16 3kcg s GLU 381 Cb -0.16 -2.94 -0.13 0.00 -1.78 0.00 0.00 34.13 29.13 3kcg s GLU 381 CO 0.21 -0.45 1.34 0.00 -0.49 0.00 0.00 175.26 175.87 3kcg n ALA 382 N 0.44 1.28 -1.95 5.21 0.00 -1.26 -4.79 120.51 119.44 3kcg n ALA 382 Ca 0.01 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 3kcg n ALA 382 Cb 0.41 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3kcg n ALA 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcg s ALA 383 N -0.67 3.58 0.12 0.00 0.00 -1.26 -4.96 121.76 118.57 3kcg s ALA 383 Ca 0.60 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 53.46 3kcg s ALA 383 Cb -0.59 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 18.93 3kcg s ALA 383 CO 0.57 -0.63 1.34 0.00 0.00 0.00 0.00 175.76 177.04 3kcg s ALA 384 N 0.10 3.55 -0.08 0.00 0.00 -1.26 -4.99 121.76 119.07 3kcg s ALA 384 Ca 0.58 1.07 -0.23 0.00 0.00 0.00 0.00 51.96 53.38 3kcg s ALA 384 Cb -0.39 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 3kcg s ALA 384 CO 0.40 -0.57 0.70 0.45 0.00 0.00 0.00 175.76 176.74 3kcg s SER 385 N 0.93 6.97 -0.45 0.00 0.15 -1.26 -4.96 113.70 115.07 3kcg s SER 385 Ca 0.62 1.16 0.04 0.00 0.70 0.00 0.00 55.95 58.47 3kcg s SER 385 Cb -0.36 -2.41 0.53 0.00 -1.71 0.00 0.00 66.02 62.07 3kcg s SER 385 CO 0.32 -0.13 1.72 0.35 1.20 0.00 0.00 173.24 176.70 3kcg n THR 386 N 3.84 3.06 -3.47 6.45 -2.24 -1.26 -4.95 114.28 115.70 3kcg n THR 386 Ca -0.01 -2.81 -0.41 0.00 -2.27 0.00 0.00 64.05 58.54 3kcg n THR 386 Cb 0.51 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 3kcg n THR 386 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kcg s ALA 387 N -3.49 3.49 -0.54 6.98 0.00 -1.26 -5.02 121.76 121.91 3kcg s ALA 387 Ca 0.55 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.79 3kcg s ALA 387 Cb 0.46 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 3kcg s ALA 387 CO 0.03 -1.16 1.75 0.08 0.00 0.00 0.00 175.76 176.45 3kcg s VAL 388 N 1.79 3.47 -0.04 0.00 1.01 -1.26 -4.94 120.40 120.44 3kcg s VAL 388 Ca 0.07 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 3kcg s VAL 388 Cb -0.18 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3kcg s VAL 388 CO 0.11 -0.87 0.16 0.54 0.00 0.00 0.00 175.10 175.04 3kcg s VAL 389 N 7.95 0.03 0.23 2.92 0.11 -1.26 -5.14 120.40 125.25 3kcg s VAL 389 Ca 0.66 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 59.13 3kcg s VAL 389 Cb -0.14 -0.33 -0.09 0.00 -1.53 0.00 0.00 36.38 34.29 3kcg s VAL 389 CO 0.24 -0.16 1.04 -0.63 -3.33 0.00 0.00 175.10 172.27 3kcg s ILE 390 N -0.53 3.82 -0.26 7.04 1.01 -1.26 -5.03 121.20 125.98 3kcg s ILE 390 Ca -0.06 1.74 0.02 0.00 0.00 0.00 0.00 60.65 62.35 3kcg s ILE 390 Cb -0.04 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.39 3kcg s ILE 390 CO 0.01 0.38 -0.07 0.00 0.00 0.00 0.00 174.94 175.25 3kcg s ALA 391 N -0.87 2.43 0.71 9.38 0.00 -1.26 -5.10 121.76 127.05 3kcg s ALA 391 Ca 0.45 -1.75 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 3kcg s ALA 391 Cb -0.29 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.26 3kcg s ALA 391 CO 0.36 -1.26 1.23 0.20 0.00 0.00 0.00 175.76 176.29 3kcg s GLY 392 N 1.16 2.49 -0.13 0.00 0.00 -1.26 -4.91 107.32 104.68 3kcg s GLY 392 Ca -0.06 0.98 0.11 0.00 0.00 0.00 0.00 44.72 45.76 3kcg s GLY 392 CO -0.06 1.40 1.38 0.54 0.00 0.00 0.00 173.10 176.36 3kcg n ARG 393 N -2.51 3.39 -2.40 2.90 1.74 -1.26 -4.88 116.66 113.64 3kcg n ARG 393 Ca 0.14 -2.15 -0.32 0.00 -0.77 0.00 0.00 57.85 54.76 3kcg n ARG 393 Cb 0.50 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 3kcg n ARG 393 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kcg s SER 394 N -0.66 6.56 0.41 0.55 0.15 -1.26 -4.95 113.70 114.49 3kcg s SER 394 Ca 0.38 1.48 0.22 0.00 0.70 0.00 0.00 55.95 58.73 3kcg s SER 394 Cb 0.27 -2.47 0.56 0.00 -1.71 0.00 0.00 66.02 62.66 3kcg s SER 394 CO 0.14 -0.60 1.67 -0.07 1.20 0.00 0.00 173.24 175.59 3kcg h LEU 395 N 0.80 0.00 -2.66 3.45 3.38 -2.04 -3.48 115.31 114.76 3kcg h LEU 395 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3kcg h LEU 395 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3kcg h LEU 395 CO 0.62 0.22 0.00 -3.20 0.09 0.00 0.00 178.44 176.16 3kcg n ASN 396 N -3.22 -1.77 0.00 -0.43 2.85 -1.26 -4.85 115.26 106.58 3kcg n ASN 396 Ca 0.02 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.50 3kcg n ASN 396 Cb 0.53 -0.89 0.04 0.00 1.24 0.00 0.00 39.78 40.70 3kcg n ASN 396 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kcg n PRO 397 N -0.22 0.01 -0.27 1.20 -0.04 -1.26 -1.43 135.00 132.98 3kcg n PRO 397 Ca 0.00 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 3kcg n PRO 397 Cb 0.00 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 3kcg n PRO 397 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kcg n ASN 398 N -1.44 3.62 -4.75 3.54 3.02 -1.26 -5.00 115.26 112.98 3kcg n ASN 398 Ca 0.01 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.26 3kcg n ASN 398 Cb 0.02 -0.36 0.10 0.00 -0.61 0.00 0.00 39.78 38.93 3kcg n ASN 398 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kcg s ARG 399 N -1.19 2.12 -0.11 3.52 1.70 -0.52 -5.01 118.95 119.47 3kcg s ARG 399 Ca 0.41 1.29 -0.20 0.00 -0.47 0.00 0.00 55.73 56.77 3kcg s ARG 399 Cb 0.23 -1.87 -0.04 0.00 -0.57 0.00 0.00 34.95 32.69 3kcg s ARG 399 CO 0.30 -1.76 0.55 0.08 -1.08 0.00 0.00 175.30 173.40 3kcg s VAL 400 N -2.74 5.14 -0.08 4.99 1.01 -1.26 -5.03 120.40 122.43 3kcg s VAL 400 Ca 0.63 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.76 3kcg s VAL 400 Cb -0.19 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3kcg s VAL 400 CO 0.54 0.29 -0.17 -0.89 0.00 0.00 0.00 175.10 174.87 3kcg s THR 401 N 0.76 1.50 -0.46 3.92 2.01 -1.26 -1.64 115.64 120.47 3kcg s THR 401 Ca 0.30 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.60 3kcg s THR 401 Cb -0.16 -1.33 0.12 0.00 0.01 0.00 0.00 72.50 71.14 3kcg s THR 401 CO 0.13 0.44 0.23 0.12 -0.69 0.00 0.00 174.62 174.84 3kcg s PHE 402 N 0.53 3.53 -0.47 4.92 2.19 0.06 -4.97 117.98 123.77 3kcg s PHE 402 Ca -0.16 -2.75 -0.09 0.00 0.33 0.00 0.00 56.93 54.25 3kcg s PHE 402 Cb -0.17 -3.08 0.12 0.00 -1.31 0.00 0.00 43.02 38.58 3kcg s PHE 402 CO 0.06 -0.90 0.35 0.21 1.83 0.00 0.00 175.22 176.76 3kcg s LYS 403 N 0.58 2.49 -1.39 10.12 2.20 -1.26 -0.32 119.74 132.16 3kcg s LYS 403 Ca 0.12 -1.75 -0.11 0.00 -0.36 0.00 0.00 55.97 53.86 3kcg s LYS 403 Cb -0.22 -3.93 0.09 0.00 -1.51 0.00 0.00 37.83 32.26 3kcg s LYS 403 CO -0.04 -1.19 2.13 0.00 -0.36 0.00 0.00 175.35 175.88 3kcg n ALA 404 N 4.91 5.63 -1.11 3.13 0.00 -0.07 -4.55 120.51 128.46 3kcg n ALA 404 Ca -0.08 -4.06 0.03 0.00 0.00 0.00 0.00 53.44 49.33 3kcg n ALA 404 Cb 0.41 -3.27 0.26 0.00 0.00 0.00 0.00 19.45 16.85 3kcg n ALA 404 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kcg n ASN 405 N 4.85 3.80 -3.78 0.00 6.94 -1.26 -4.34 115.26 121.46 3kcg n ASN 405 Ca 0.49 -3.23 -0.09 0.00 -0.02 0.00 0.00 54.58 51.72 3kcg n ASN 405 Cb 0.36 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 37.12 3kcg n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kcg s ARG 406 N -2.96 1.00 0.13 -3.83 1.70 -1.26 -0.52 118.95 113.21 3kcg s ARG 406 Ca 0.46 -0.89 -0.34 0.00 -0.47 0.00 0.00 55.73 54.49 3kcg s ARG 406 Cb 0.38 0.40 -0.17 0.00 -0.57 0.00 0.00 34.95 34.99 3kcg s ARG 406 CO 0.08 -0.36 1.00 -2.30 -1.08 0.00 0.00 175.30 172.63 3kcg n PRO 407 N -0.16 0.59 -3.91 3.89 -0.02 -1.26 -5.00 135.00 129.12 3kcg n PRO 407 Ca -0.14 0.21 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 3kcg n PRO 407 Cb 0.63 -1.60 -0.08 0.00 -0.02 0.00 0.00 33.50 32.43 3kcg n PRO 407 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3kcg s PHE 408 N -0.32 0.23 0.16 6.00 -0.71 -0.97 -4.55 117.98 117.82 3kcg s PHE 408 Ca 0.76 -0.66 -0.05 0.00 -1.04 0.00 0.00 56.93 55.94 3kcg s PHE 408 Cb -0.98 -0.14 -0.06 0.00 -1.21 0.00 0.00 43.02 40.63 3kcg s PHE 408 CO 0.54 -0.48 0.41 -0.51 -1.34 0.00 0.00 175.22 173.84 3kcg s LEU 409 N -2.74 4.24 0.02 -1.99 1.43 -0.59 -0.99 118.68 118.06 3kcg s LEU 409 Ca 0.04 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 3kcg s LEU 409 Cb 0.04 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 3kcg s LEU 409 CO -0.10 0.02 -0.14 0.68 0.23 0.00 0.00 176.35 177.05 3kcg s VAL 410 N -1.70 1.07 -0.01 -1.59 -7.23 -0.53 -1.41 120.40 108.98 3kcg s VAL 410 Ca 0.42 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.78 3kcg s VAL 410 Cb -0.12 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.89 3kcg s VAL 410 CO 0.25 0.12 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.78 3kcg s PHE 411 N -0.63 0.24 -0.22 2.82 0.08 -0.07 -0.74 117.98 119.46 3kcg s PHE 411 Ca 0.03 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.06 3kcg s PHE 411 Cb -0.07 -0.22 0.03 0.00 -0.57 0.00 0.00 43.02 42.20 3kcg s PHE 411 CO 0.01 -0.04 -0.14 0.42 -0.10 0.00 0.00 175.22 175.36 3kcg s ILE 412 N 0.26 2.27 0.29 0.64 -1.09 -0.42 0.36 121.20 123.51 3kcg s ILE 412 Ca -0.02 -1.16 0.03 0.00 -2.23 0.00 0.00 60.65 57.26 3kcg s ILE 412 Cb -0.05 -2.12 -0.06 0.00 -1.58 0.00 0.00 42.46 38.66 3kcg s ILE 412 CO -0.01 0.30 0.07 0.00 -1.23 0.00 0.00 174.94 174.07 3kcg s ARG 413 N 1.24 1.52 -0.27 2.79 1.70 -0.55 -1.01 118.95 124.37 3kcg s ARG 413 Ca -0.00 -1.83 -0.08 0.00 -0.47 0.00 0.00 55.73 53.35 3kcg s ARG 413 Cb -0.16 -0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 33.64 3kcg s ARG 413 CO -0.09 -0.23 0.10 -2.00 -1.08 0.00 0.00 175.30 172.00 3kcg s GLU 414 N -3.96 3.56 0.08 3.89 -6.30 -0.91 -1.31 118.70 113.76 3kcg s GLU 414 Ca 0.37 -0.55 -0.35 0.00 -2.50 0.00 0.00 54.97 51.93 3kcg s GLU 414 Cb 0.08 -3.41 -0.17 0.00 0.00 0.00 0.00 34.13 30.63 3kcg s GLU 414 CO 0.14 -0.26 1.58 0.28 0.02 0.00 0.00 175.26 177.02 3kcg h VAL 415 N 5.58 0.07 -0.26 3.70 2.07 -1.26 0.72 116.25 126.87 3kcg h VAL 415 Ca -0.36 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3kcg h VAL 415 Cb 1.17 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 3kcg h VAL 415 CO 0.59 0.00 -0.39 -0.65 0.02 0.00 0.00 177.57 177.13 3kcg h PRO 416 N -1.03 -0.38 0.00 1.57 0.11 -1.95 -2.34 132.00 127.99 3kcg h PRO 416 Ca -0.07 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 3kcg h PRO 416 Cb 0.87 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3kcg h PRO 416 CO 0.00 -0.25 -0.60 1.25 -0.21 0.00 0.00 178.00 178.19 3kcg h LEU 417 N -0.39 0.00 0.69 2.35 5.85 -1.97 -3.44 115.31 118.41 3kcg h LEU 417 Ca 0.11 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 3kcg h LEU 417 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3kcg h LEU 417 CO -0.47 0.60 -0.16 0.59 -0.34 0.00 0.00 178.44 178.67 3kcg n ASN 418 N -3.54 -3.19 -4.73 1.25 3.02 0.25 -4.88 115.26 103.44 3kcg n ASN 418 Ca -0.00 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 3kcg n ASN 418 Cb 0.67 -1.96 -0.03 0.00 -0.61 0.00 0.00 39.78 37.84 3kcg n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kcg s THR 419 N -2.31 3.35 -0.70 3.41 2.01 -1.04 -4.81 115.64 115.55 3kcg s THR 419 Ca 0.00 1.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.84 3kcg s THR 419 Cb 0.00 -3.66 0.10 0.00 0.01 0.00 0.00 72.50 68.95 3kcg s THR 419 CO 0.00 0.12 0.90 -0.63 -0.69 0.00 0.00 174.62 174.32 3kcg s ILE 420 N 0.56 4.63 -0.02 1.82 1.01 -1.26 -2.14 121.20 125.80 3kcg s ILE 420 Ca 0.60 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 3kcg s ILE 420 Cb -0.36 -4.63 -0.28 0.00 0.01 0.00 0.00 42.46 37.21 3kcg s ILE 420 CO 0.34 -1.34 1.00 0.40 0.00 0.00 0.00 174.94 175.34 3kcg h ILE 421 N 5.88 1.46 -3.95 2.92 2.04 -1.44 -3.37 117.51 121.05 3kcg h ILE 421 Ca -0.18 -2.31 -0.23 0.00 1.00 0.00 0.00 64.86 63.13 3kcg h ILE 421 Cb 1.07 2.89 -0.19 0.00 -0.74 0.00 0.00 36.82 39.85 3kcg h ILE 421 CO 1.12 0.66 -0.71 -0.36 0.00 0.00 0.00 178.15 178.86 3kcg s PHE 422 N -2.83 0.67 0.02 1.37 0.08 -1.00 -3.67 117.98 112.63 3kcg s PHE 422 Ca -0.13 -0.68 -0.13 0.00 0.12 0.00 0.00 56.93 56.11 3kcg s PHE 422 Cb 0.02 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 42.08 3kcg s PHE 422 CO 0.83 -0.14 0.27 0.00 -0.10 0.00 0.00 175.22 176.08 3kcg s MET 423 N -2.45 0.72 0.03 0.44 0.23 -0.64 -1.30 119.30 116.33 3kcg s MET 423 Ca -0.03 -0.44 -0.12 0.00 -1.03 0.00 0.00 55.69 54.07 3kcg s MET 423 Cb -0.04 0.31 0.04 0.00 -1.53 0.00 0.00 34.83 33.61 3kcg s MET 423 CO -0.02 -0.22 0.55 0.41 -2.03 0.00 0.00 175.02 173.71 3kcg n GLY 424 N 0.85 0.66 2.81 3.16 0.00 0.08 -1.78 105.19 110.98 3kcg n GLY 424 Ca -0.20 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 3kcg n GLY 424 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kcg s ARG 425 N -2.01 0.00 -0.61 1.61 3.52 0.62 -1.46 118.95 120.62 3kcg s ARG 425 Ca 0.13 0.28 -0.12 0.00 -0.13 0.00 0.00 55.73 55.89 3kcg s ARG 425 Cb -0.01 -0.25 0.16 0.00 -1.56 0.00 0.00 34.95 33.29 3kcg s ARG 425 CO 0.01 -0.19 0.52 0.08 -0.81 0.00 0.00 175.30 174.91 3kcg s VAL 426 N 1.26 4.84 -0.13 7.11 1.01 -0.17 -1.52 120.40 132.80 3kcg s VAL 426 Ca -0.07 -2.03 0.18 0.00 0.00 0.00 0.00 61.98 60.05 3kcg s VAL 426 Cb -0.12 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 31.92 3kcg s VAL 426 CO -0.04 -0.89 0.40 0.00 0.00 0.00 0.00 175.10 174.57 3kcg n ALA 427 N 4.58 1.87 -3.25 5.51 0.00 -1.26 -2.30 120.51 125.66 3kcg n ALA 427 Ca -0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.46 3kcg n ALA 427 Cb 0.42 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 3kcg n ALA 427 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kcg s ASN 428 N -5.43 -0.33 0.00 0.00 3.84 -1.26 -4.61 114.94 107.16 3kcg s ASN 428 Ca -0.07 -0.14 0.28 0.00 0.21 0.00 0.00 52.86 53.14 3kcg s ASN 428 Cb 0.08 1.44 1.16 0.00 -0.55 0.00 0.00 41.25 43.38 3kcg s ASN 428 CO 0.84 -0.33 1.81 -0.81 -2.79 0.00 0.00 177.10 175.81 3kcg n PRO 429 N 5.38 1.42 -1.71 0.43 -0.04 -1.26 -4.88 135.00 134.34 3kcg n PRO 429 Ca 0.02 -0.73 -0.31 0.00 -0.04 0.00 0.00 63.50 62.44 3kcg n PRO 429 Cb 0.51 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 3kcg n PRO 429 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46