#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5r n GLY 1 N 0.00 -2.68 3.75 0.46 0.00 -1.26 -4.18 105.19 101.28 3k5r n GLY 1 Ca 0.00 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 3k5r n GLY 1 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k5r s ILE 2 N 0.00 3.54 -0.07 -0.61 1.01 -1.26 -4.32 121.20 119.48 3k5r s ILE 2 Ca 0.00 1.42 0.04 0.00 0.00 0.00 0.00 60.65 62.11 3k5r s ILE 2 Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3k5r s ILE 2 CO 0.00 0.29 -0.18 -0.69 0.00 0.00 0.00 174.94 174.35 3k5r s VAL 3 N -0.64 1.60 0.26 2.92 1.01 0.23 -4.98 120.40 120.80 3k5r s VAL 3 Ca 0.48 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.76 3k5r s VAL 3 Cb -0.32 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 3k5r s VAL 3 CO 0.39 0.46 -0.07 0.68 0.00 0.00 0.00 175.10 176.56 3k5r s VAL 4 N 0.33 1.61 0.08 2.92 -7.23 -1.26 -0.95 120.40 115.89 3k5r s VAL 4 Ca -0.12 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 57.95 3k5r s VAL 4 Cb -0.15 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 3k5r s VAL 4 CO 0.05 -0.35 -0.11 -0.44 -0.31 0.00 0.00 175.10 173.95 3k5r s SER 5 N -3.41 1.37 0.51 4.85 0.01 -1.26 -4.73 113.70 111.04 3k5r s SER 5 Ca 0.28 -0.70 -0.23 0.00 1.31 0.00 0.00 55.95 56.61 3k5r s SER 5 Cb 0.03 0.00 -0.06 0.00 0.21 0.00 0.00 66.02 66.20 3k5r s SER 5 CO 0.11 -0.20 1.37 -2.65 0.41 0.00 0.00 173.24 172.27 3k5r n PRO 6 N 0.94 1.86 -3.82 12.44 -0.02 -1.26 -4.69 135.00 140.45 3k5r n PRO 6 Ca -0.19 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 3k5r n PRO 6 Cb 0.56 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 3k5r n PRO 6 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k5r s ILE 7 N -1.26 3.65 -0.24 4.25 1.01 0.02 -5.02 121.20 123.60 3k5r s ILE 7 Ca 0.68 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 3k5r s ILE 7 Cb -0.43 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3k5r s ILE 7 CO 0.52 0.13 0.12 -0.76 0.00 0.00 0.00 174.94 174.95 3k5r s LEU 8 N 1.45 3.78 -0.17 2.97 1.02 -1.26 -0.46 118.68 126.01 3k5r s LEU 8 Ca 0.02 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.13 3k5r s LEU 8 Cb -0.17 -2.01 0.01 0.00 0.02 0.00 0.00 46.19 44.04 3k5r s LEU 8 CO 0.00 0.02 -0.18 -0.63 0.02 0.00 0.00 176.35 175.57 3k5r s ILE 9 N 1.34 2.27 0.32 -0.59 1.01 0.31 -4.94 121.20 120.91 3k5r s ILE 9 Ca 0.06 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3k5r s ILE 9 Cb -0.15 -1.95 -0.11 0.00 0.01 0.00 0.00 42.46 40.26 3k5r s ILE 9 CO 0.05 0.53 1.57 -2.84 0.00 0.00 0.00 174.94 174.25 3k5r s PRO 10 N 1.09 4.11 0.83 2.79 0.02 -1.26 -0.36 135.00 142.23 3k5r s PRO 10 Ca -0.00 2.59 -0.11 0.00 0.02 0.00 0.00 61.00 63.50 3k5r s PRO 10 Cb -0.14 -3.01 0.09 0.00 0.02 0.00 0.00 34.50 31.47 3k5r s PRO 10 CO -0.07 -0.61 1.10 -1.83 -0.33 0.00 0.00 177.00 175.25 3k5r s GLU 11 N -0.93 1.76 -1.54 5.54 -1.05 -0.60 -3.80 118.70 118.07 3k5r s GLU 11 Ca 0.61 1.09 -0.02 0.00 -0.15 0.00 0.00 54.97 56.49 3k5r s GLU 11 Cb -0.48 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.37 3k5r s GLU 11 CO 0.52 -1.97 0.31 0.09 0.95 0.00 0.00 175.26 175.16 3k5r n ASN 12 N -3.74 -5.70 -4.76 0.83 5.03 0.14 -4.73 115.26 102.33 3k5r n ASN 12 Ca 0.09 -0.16 -0.39 0.00 0.87 0.00 0.00 54.58 54.99 3k5r n ASN 12 Cb 0.54 -4.62 0.03 0.00 -1.02 0.00 0.00 39.78 34.71 3k5r n ASN 12 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3k5r s GLN 13 N -5.32 3.47 0.61 3.52 -0.21 -1.25 -4.97 119.66 115.52 3k5r s GLN 13 Ca 0.16 2.38 -0.05 0.00 0.02 0.00 0.00 55.36 57.87 3k5r s GLN 13 Cb -0.07 -2.51 0.03 0.00 1.00 0.00 0.00 33.01 31.46 3k5r s GLN 13 CO 0.19 -0.98 0.90 1.03 -2.12 0.00 0.00 175.29 174.32 3k5r s ARG 14 N -2.62 2.66 0.69 2.91 0.52 -1.26 -4.53 118.95 117.32 3k5r s ARG 14 Ca 0.65 -0.21 -0.17 0.00 -0.52 0.00 0.00 55.73 55.49 3k5r s ARG 14 Cb -0.43 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 3k5r s ARG 14 CO 0.54 -0.83 1.01 0.94 0.02 0.00 0.00 175.30 176.97 3k5r n GLN 15 N -2.62 0.66 -2.78 3.54 -0.06 -1.26 -4.66 117.38 110.20 3k5r n GLN 15 Ca 0.06 0.28 -0.23 0.00 -2.00 0.00 0.00 57.00 55.10 3k5r n GLN 15 Cb 0.59 -2.25 0.02 0.00 -4.06 0.00 0.00 30.24 24.54 3k5r n GLN 15 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3k5r s PRO 16 N -3.22 2.89 0.25 3.69 0.04 -1.26 -5.21 135.00 132.18 3k5r s PRO 16 Ca 0.75 -0.47 0.10 0.00 0.04 0.00 0.00 61.00 61.42 3k5r s PRO 16 Cb -0.36 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 3k5r s PRO 16 CO 0.48 -0.48 -0.17 -0.06 0.04 0.00 0.00 177.00 176.82 3k5r s PHE 17 N -2.70 2.05 0.82 0.56 0.40 -1.26 -4.55 117.98 113.30 3k5r s PHE 17 Ca 0.52 -0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 3k5r s PHE 17 Cb -0.10 -0.93 0.08 0.00 0.51 0.00 0.00 43.02 42.58 3k5r s PHE 17 CO 0.39 0.55 1.09 -1.25 0.70 0.00 0.00 175.22 176.71 3k5r s PRO 18 N -3.58 1.89 0.04 0.24 0.04 -1.26 -5.06 135.00 127.32 3k5r s PRO 18 Ca 0.27 0.80 0.05 0.00 0.04 0.00 0.00 61.00 62.17 3k5r s PRO 18 Cb -0.03 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 3k5r s PRO 18 CO 0.12 -1.80 -0.15 -0.98 0.04 0.00 0.00 177.00 174.23 3k5r s ARG 19 N -5.03 1.00 0.23 4.56 1.70 -0.22 -4.95 118.95 116.24 3k5r s ARG 19 Ca 0.61 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.78 3k5r s ARG 19 Cb -0.16 -1.03 -0.09 0.00 -0.57 0.00 0.00 34.95 33.10 3k5r s ARG 19 CO 0.55 0.26 1.33 -0.51 -1.08 0.00 0.00 175.30 175.85 3k5r s ASP 20 N -1.17 6.83 0.00 -2.89 -0.00 -1.26 -0.57 116.67 117.61 3k5r s ASP 20 Ca 0.02 2.50 0.00 0.00 -0.00 0.00 0.00 52.55 55.07 3k5r s ASP 20 Cb -0.08 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.22 3k5r s ASP 20 CO 0.01 -0.56 0.00 1.33 -0.00 0.00 0.00 175.17 175.96 3k5r n VAL 21 N 2.27 0.00 -3.82 -1.27 0.24 0.71 -4.88 118.33 111.58 3k5r n VAL 21 Ca 0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3k5r n VAL 21 Cb 0.42 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 3k5r n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k5r n GLY 22 N 1.29 0.61 3.43 7.63 0.00 -1.10 -4.70 105.19 112.35 3k5r n GLY 22 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 3k5r n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5r s LYS 23 N -1.82 0.89 -0.08 1.61 -2.85 -1.26 -0.16 119.74 116.08 3k5r s LYS 23 Ca 0.00 0.20 -0.00 0.00 -1.00 0.00 0.00 55.97 55.16 3k5r s LYS 23 Cb 0.00 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 3k5r s LYS 23 CO 0.00 -0.25 -0.04 0.08 0.10 0.00 0.00 175.35 175.24 3k5r s VAL 24 N -1.03 3.96 -0.02 1.79 1.01 0.18 -4.37 120.40 121.92 3k5r s VAL 24 Ca -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3k5r s VAL 24 Cb -0.02 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3k5r s VAL 24 CO 0.07 0.60 -0.02 -0.69 0.00 0.00 0.00 175.10 175.05 3k5r s VAL 25 N -0.80 4.01 -0.41 2.92 1.01 -0.13 -4.60 120.40 122.40 3k5r s VAL 25 Ca 0.12 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.61 3k5r s VAL 25 Cb -0.11 -2.74 0.17 0.00 0.00 0.00 0.00 36.38 33.70 3k5r s VAL 25 CO 0.02 0.45 0.56 -0.62 0.00 0.00 0.00 175.10 175.51 3k5r s ASP 26 N -1.30 -0.67 0.25 3.32 -1.08 -1.26 0.76 116.67 116.69 3k5r s ASP 26 Ca 0.17 -1.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.04 3k5r s ASP 26 Cb -0.11 1.49 0.28 0.00 -1.46 0.00 0.00 42.92 43.12 3k5r s ASP 26 CO 0.07 -0.18 1.59 0.77 0.52 0.00 0.00 175.17 177.94 3k5r h SER 27 N 6.73 0.31 -0.68 -0.34 4.64 -1.78 -2.99 113.55 119.44 3k5r h SER 27 Ca 0.06 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.10 3k5r h SER 27 Cb 1.13 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 3k5r h SER 27 CO 0.12 0.79 0.15 -0.90 -0.87 0.00 0.00 176.83 176.13 3k5r n ASP 28 N -3.92 5.31 -4.60 4.97 5.75 -1.26 -4.98 116.55 117.81 3k5r n ASP 28 Ca -0.02 -3.10 -0.58 0.00 -0.01 0.00 0.00 54.79 51.09 3k5r n ASP 28 Cb 0.58 -0.72 -0.07 0.00 -1.03 0.00 0.00 41.12 39.87 3k5r n ASP 28 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3k5r n ARG 29 N 0.21 0.60 -1.44 0.11 0.63 -1.13 -4.96 116.66 110.69 3k5r n ARG 29 Ca 0.35 0.22 -0.31 0.00 -0.92 0.00 0.00 57.85 57.19 3k5r n ARG 29 Cb 1.32 -1.80 0.07 0.00 0.45 0.00 0.00 32.46 32.50 3k5r n ARG 29 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3k5r s PRO 30 N 1.21 2.56 0.40 -0.14 0.04 -1.26 -4.96 135.00 132.85 3k5r s PRO 30 Ca 0.92 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 3k5r s PRO 30 Cb -1.16 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 3k5r s PRO 30 CO 0.58 -1.41 1.38 -1.83 0.04 0.00 0.00 177.00 175.76 3k5r s GLU 31 N -4.82 3.98 0.00 4.56 4.04 -1.26 -2.11 118.70 123.08 3k5r s GLU 31 Ca 0.61 2.33 0.00 0.00 0.04 0.00 0.00 54.97 57.95 3k5r s GLU 31 Cb -0.16 -2.82 0.00 0.00 0.02 0.00 0.00 34.13 31.16 3k5r s GLU 31 CO 0.53 -0.55 0.00 0.41 -1.84 0.00 0.00 175.26 173.82 3k5r n GLY 32 N 0.62 2.93 3.58 -3.83 0.00 -1.26 -5.00 105.19 102.23 3k5r n GLY 32 Ca 0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3k5r n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k5r n SER 33 N 0.63 0.88 -3.86 1.61 2.88 -0.90 -3.64 113.62 111.22 3k5r n SER 33 Ca 0.00 1.05 -0.10 0.00 -1.33 0.00 0.00 58.87 58.49 3k5r n SER 33 Cb 0.00 -1.29 -0.08 0.00 -0.75 0.00 0.00 64.21 62.09 3k5r n SER 33 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3k5r s LYS 34 N -1.81 0.72 0.16 -1.46 -2.85 -0.33 -4.90 119.74 109.26 3k5r s LYS 34 Ca 0.62 -0.73 -0.20 0.00 -1.00 0.00 0.00 55.97 54.66 3k5r s LYS 34 Cb -0.61 0.30 -0.08 0.00 -2.06 0.00 0.00 37.83 35.38 3k5r s LYS 34 CO 0.58 -0.21 0.67 -0.06 0.10 0.00 0.00 175.35 176.42 3k5r s PHE 35 N -2.92 3.74 -0.08 1.78 0.08 0.66 -0.79 117.98 120.45 3k5r s PHE 35 Ca -0.02 1.36 0.01 0.00 0.12 0.00 0.00 56.93 58.40 3k5r s PHE 35 Cb 0.01 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.89 3k5r s PHE 35 CO -0.06 0.46 -0.10 0.50 -0.10 0.00 0.00 175.22 175.91 3k5r s ARG 36 N -1.56 1.59 -0.04 0.44 3.52 0.59 -4.41 118.95 119.07 3k5r s ARG 36 Ca 0.37 -0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.66 3k5r s ARG 36 Cb -0.19 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.77 3k5r s ARG 36 CO 0.21 -0.06 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.31 3k5r s LEU 37 N 0.94 2.57 0.17 -0.88 2.96 -1.26 -0.78 118.68 122.40 3k5r s LEU 37 Ca -0.09 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 3k5r s LEU 37 Cb -0.15 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 3k5r s LEU 37 CO 0.00 0.34 0.27 0.42 -1.32 0.00 0.00 176.35 176.06 3k5r s THR 38 N -0.70 0.06 -1.16 3.68 -4.23 -0.41 -4.76 115.64 108.12 3k5r s THR 38 Ca 0.11 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3k5r s THR 38 Cb -0.10 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.82 3k5r s THR 38 CO 0.00 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 3k5r n GLY 39 N -0.22 0.84 3.66 3.99 0.00 -1.26 -0.68 105.19 111.52 3k5r n GLY 39 Ca -0.06 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3k5r n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5r s LYS 40 N -0.92 4.14 0.00 1.61 -2.85 -1.23 -0.48 119.74 120.01 3k5r s LYS 40 Ca 0.00 2.61 0.00 0.00 -1.00 0.00 0.00 55.97 57.58 3k5r s LYS 40 Cb 0.00 -4.12 0.00 0.00 -2.06 0.00 0.00 37.83 31.65 3k5r s LYS 40 CO 0.00 -0.95 0.00 0.41 0.10 0.00 0.00 175.35 174.91 3k5r n GLY 41 N 4.52 0.23 0.00 0.59 0.00 -0.18 -4.59 105.19 105.76 3k5r n GLY 41 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3k5r n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k5r n VAL 42 N -2.00 0.00 1.12 1.61 0.31 0.37 -0.72 118.33 119.02 3k5r n VAL 42 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 3k5r n VAL 42 Cb 0.00 -0.15 0.17 0.00 -0.91 0.00 0.00 33.84 32.95 3k5r n VAL 42 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k5r n ASP 43 N -0.24 1.71 -4.48 4.52 5.75 -1.00 -0.88 116.55 121.92 3k5r n ASP 43 Ca 0.00 -1.32 -0.24 0.00 -0.01 0.00 0.00 54.79 53.22 3k5r n ASP 43 Cb 0.00 0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 40.28 3k5r n ASP 43 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3k5r s GLN 44 N -2.43 1.68 0.11 0.11 -0.21 -0.95 -4.94 119.66 113.03 3k5r s GLN 44 Ca 0.22 -1.85 -0.31 0.00 0.02 0.00 0.00 55.36 53.45 3k5r s GLN 44 Cb 0.19 -1.48 -0.09 0.00 1.00 0.00 0.00 33.01 32.62 3k5r s GLN 44 CO 0.52 0.13 1.71 -0.51 -2.12 0.00 0.00 175.29 175.02 3k5r s ASP 45 N -3.52 6.52 -0.68 5.90 1.01 -1.26 -1.01 116.67 123.63 3k5r s ASP 45 Ca 0.31 2.62 -0.27 0.00 0.71 0.00 0.00 52.55 55.92 3k5r s ASP 45 Cb 0.02 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.40 3k5r s ASP 45 CO 0.14 -0.92 1.34 -2.16 0.21 0.00 0.00 175.17 173.78 3k5r s PRO 46 N 2.36 3.19 0.31 8.23 0.04 -1.26 -4.10 135.00 143.77 3k5r s PRO 46 Ca 0.76 -0.00 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 3k5r s PRO 46 Cb -0.43 -4.17 -0.12 0.00 0.04 0.00 0.00 34.50 29.82 3k5r s PRO 46 CO 0.33 -2.12 1.44 1.63 0.04 0.00 0.00 177.00 178.33 3k5r n LYS 47 N 9.14 2.36 -1.09 4.56 5.02 -1.10 -3.01 118.16 134.04 3k5r n LYS 47 Ca 0.07 0.83 -0.03 0.00 -2.02 0.00 0.00 58.31 57.16 3k5r n LYS 47 Cb 0.49 -2.52 -0.01 0.00 -0.02 0.00 0.00 35.03 32.97 3k5r n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k5r n GLY 48 N 1.46 0.60 0.30 0.72 0.00 -0.06 -4.89 105.19 103.32 3k5r n GLY 48 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 3k5r n GLY 48 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k5r h THR 49 N 0.00 1.27 -3.72 2.61 2.02 -0.83 -3.42 112.91 110.84 3k5r h THR 49 Ca -0.07 -1.19 -0.61 0.00 0.77 0.00 0.00 66.41 65.31 3k5r h THR 49 Cb 0.40 0.86 -0.21 0.00 -1.74 0.00 0.00 68.15 67.46 3k5r h THR 49 CO 0.10 0.43 -0.83 -0.36 0.37 0.00 0.00 175.52 175.22 3k5r s PHE 50 N -4.97 2.04 0.05 3.16 0.40 -0.14 -0.63 117.98 117.90 3k5r s PHE 50 Ca -0.12 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 3k5r s PHE 50 Cb 0.13 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 3k5r s PHE 50 CO 0.86 0.31 -0.01 1.03 0.70 0.00 0.00 175.22 178.11 3k5r s ARG 51 N -2.20 0.60 -0.02 0.44 0.52 -0.76 -4.62 118.95 112.90 3k5r s ARG 51 Ca 0.12 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 54.25 3k5r s ARG 51 Cb -0.09 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.58 3k5r s ARG 51 CO 0.06 -0.12 -0.14 -1.50 0.02 0.00 0.00 175.30 173.62 3k5r s ILE 52 N -3.63 1.16 -0.19 1.52 2.07 -1.26 -1.31 121.20 119.57 3k5r s ILE 52 Ca 0.04 -0.61 -0.29 0.00 -1.41 0.00 0.00 60.65 58.38 3k5r s ILE 52 Cb 0.06 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 3k5r s ILE 52 CO -0.09 0.33 1.65 0.21 -1.91 0.00 0.00 174.94 175.13 3k5r s ASN 53 N -0.21 6.40 0.52 4.50 3.04 -0.25 -4.89 114.94 124.04 3k5r s ASN 53 Ca 0.03 1.76 0.28 0.00 0.04 0.00 0.00 52.86 54.97 3k5r s ASN 53 Cb -0.07 -2.53 1.40 0.00 -1.54 0.00 0.00 41.25 38.51 3k5r s ASN 53 CO 0.00 -1.22 2.04 1.05 -3.04 0.00 0.00 177.10 175.93 3k5r h GLU 54 N 10.68 0.00 0.11 0.43 4.11 -1.90 0.15 114.58 128.15 3k5r h GLU 54 Ca -0.35 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.80 3k5r h GLU 54 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3k5r h GLU 54 CO 0.99 0.13 -1.45 -0.97 0.07 0.00 0.00 179.01 177.78 3k5r h ASN 55 N 0.00 0.37 0.00 3.06 -1.24 -1.90 0.19 115.58 116.06 3k5r h ASN 55 Ca -0.00 -0.85 -0.06 0.00 0.71 0.00 0.00 56.30 56.10 3k5r h ASN 55 Cb 0.39 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 3k5r h ASN 55 CO 0.02 1.63 -1.96 0.35 -1.29 0.00 0.00 177.43 176.18 3k5r n THR 56 N -3.91 0.21 -0.84 -3.57 -2.24 -1.16 -4.89 114.28 97.88 3k5r n THR 56 Ca -0.26 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 3k5r n THR 56 Cb 0.91 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3k5r n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k5r n GLY 57 N 1.47 0.53 3.73 3.38 0.00 0.03 -4.81 105.19 109.52 3k5r n GLY 57 Ca -0.08 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3k5r n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k5r s SER 58 N -2.40 7.00 -0.16 1.61 0.15 -1.25 -0.64 113.70 118.00 3k5r s SER 58 Ca 0.00 2.28 -0.07 0.00 0.70 0.00 0.00 55.95 58.85 3k5r s SER 58 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3k5r s SER 58 CO 0.00 -0.45 0.08 -0.69 1.20 0.00 0.00 173.24 173.38 3k5r s VAL 59 N 0.19 4.98 0.21 4.45 1.01 0.78 -1.09 120.40 130.93 3k5r s VAL 59 Ca 0.56 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.65 3k5r s VAL 59 Cb -0.34 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3k5r s VAL 59 CO 0.36 0.50 -0.16 -0.94 0.00 0.00 0.00 175.10 174.86 3k5r s SER 60 N -0.03 2.77 0.01 3.32 1.04 -0.42 -0.21 113.70 120.19 3k5r s SER 60 Ca 0.07 -0.98 0.04 0.00 0.48 0.00 0.00 55.95 55.56 3k5r s SER 60 Cb -0.12 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 3k5r s SER 60 CO 0.01 -0.10 -0.10 0.54 0.98 0.00 0.00 173.24 174.57 3k5r s VAL 61 N -2.67 3.41 -1.21 5.02 0.11 0.27 -1.84 120.40 123.50 3k5r s VAL 61 Ca 0.22 -0.89 0.11 0.00 -2.93 0.00 0.00 61.98 58.49 3k5r s VAL 61 Cb -0.03 -2.48 0.04 0.00 -1.53 0.00 0.00 36.38 32.39 3k5r s VAL 61 CO 0.08 0.37 0.76 0.35 -3.33 0.00 0.00 175.10 173.33 3k5r n THR 62 N 1.54 0.00 -3.89 5.04 -2.24 0.20 -1.06 114.28 113.88 3k5r n THR 62 Ca -0.15 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 3k5r n THR 62 Cb 0.52 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.88 3k5r n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5r s ARG 63 N -1.23 1.35 0.53 -0.78 1.70 -1.26 -4.69 118.95 114.57 3k5r s ARG 63 Ca 0.11 -1.08 -0.22 0.00 -0.47 0.00 0.00 55.73 54.08 3k5r s ARG 63 Cb 0.09 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.88 3k5r s ARG 63 CO 0.22 -0.55 1.29 -0.08 -1.08 0.00 0.00 175.30 175.10 3k5r s THR 64 N -3.95 2.39 0.10 4.99 -1.32 -1.26 -4.95 115.64 111.64 3k5r s THR 64 Ca 0.16 0.29 0.09 0.00 -1.21 0.00 0.00 61.69 61.02 3k5r s THR 64 Cb 0.01 -3.14 -0.04 0.00 -1.51 0.00 0.00 72.50 67.82 3k5r s THR 64 CO 0.02 -0.01 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.43 3k5r s LEU 65 N -3.49 2.48 -0.18 9.08 1.43 -1.26 -4.94 118.68 121.80 3k5r s LEU 65 Ca 0.71 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3k5r s LEU 65 Cb -0.36 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.49 3k5r s LEU 65 CO 0.43 0.20 -0.16 -0.62 0.23 0.00 0.00 176.35 176.43 3k5r s ASP 66 N -1.88 3.20 0.31 2.29 2.15 -1.26 0.25 116.67 121.73 3k5r s ASP 66 Ca 0.15 -0.73 0.02 0.00 0.43 0.00 0.00 52.55 52.42 3k5r s ASP 66 Cb -0.10 -1.36 0.52 0.00 -0.30 0.00 0.00 42.92 41.68 3k5r s ASP 66 CO 0.07 -0.06 1.86 -0.09 -0.17 0.00 0.00 175.17 176.78 3k5r h ARG 67 N 7.96 0.67 0.00 4.34 2.43 -1.90 -1.80 114.38 126.07 3k5r h ARG 67 Ca -0.38 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3k5r h ARG 67 Cb 1.12 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3k5r h ARG 67 CO 0.56 0.63 -0.03 0.93 -1.51 0.00 0.00 179.97 180.55 3k5r h GLU 68 N 0.64 0.00 0.00 0.20 4.39 -1.97 -2.75 114.58 115.09 3k5r h GLU 68 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3k5r h GLU 68 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3k5r h GLU 68 CO 0.00 0.03 -0.09 1.15 -1.16 0.00 0.00 179.01 178.95 3k5r h THR 69 N 0.00 0.00 -3.20 1.13 2.02 -1.76 -3.45 112.91 107.64 3k5r h THR 69 Ca -0.00 -0.73 -0.51 0.00 0.77 0.00 0.00 66.41 65.94 3k5r h THR 69 Cb 0.09 0.00 -0.37 0.00 -1.74 0.00 0.00 68.15 66.13 3k5r h THR 69 CO 0.00 0.00 -0.80 -0.63 0.37 0.00 0.00 175.52 174.47 3k5r s ILE 70 N -1.52 0.92 0.09 3.11 1.01 -1.09 -5.04 121.20 118.68 3k5r s ILE 70 Ca -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3k5r s ILE 70 Cb 0.00 -0.96 -0.26 0.00 0.01 0.00 0.00 42.46 41.26 3k5r s ILE 70 CO 0.04 0.35 1.18 0.00 0.00 0.00 0.00 174.94 176.51 3k5r h ALA 71 N 8.15 0.17 -2.51 9.38 0.00 -1.74 -3.39 119.26 129.32 3k5r h ALA 71 Ca -0.28 -0.88 -0.14 0.00 0.00 0.00 0.00 54.91 53.60 3k5r h ALA 71 Cb 1.13 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 3k5r h ALA 71 CO 0.39 1.03 -0.69 0.95 0.00 0.00 0.00 179.25 180.93 3k5r s THR 72 N -2.70 0.20 -0.06 0.00 -4.23 -1.26 -0.37 115.64 107.22 3k5r s THR 72 Ca -0.03 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3k5r s THR 72 Cb 0.08 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.87 3k5r s THR 72 CO 0.87 -0.81 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.74 3k5r s TYR 73 N -3.01 1.15 -0.47 3.99 1.51 0.11 -5.00 117.35 115.63 3k5r s TYR 73 Ca -0.01 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.45 3k5r s TYR 73 Cb 0.01 -0.90 0.04 0.00 -0.11 0.00 0.00 41.96 41.00 3k5r s TYR 73 CO -0.07 -0.24 0.66 -1.14 -1.11 0.00 0.00 175.55 173.65 3k5r s GLN 74 N 0.79 3.22 0.40 -0.62 2.00 -1.26 -0.67 119.66 123.52 3k5r s GLN 74 Ca -0.13 -0.55 0.08 0.00 -2.00 0.00 0.00 55.36 52.76 3k5r s GLN 74 Cb -0.15 -4.01 -0.00 0.00 0.80 0.00 0.00 33.01 29.65 3k5r s GLN 74 CO 0.02 -1.12 0.49 -0.51 -0.50 0.00 0.00 175.29 173.67 3k5r s LEU 75 N 2.84 3.66 0.02 3.68 1.43 0.52 -3.56 118.68 127.27 3k5r s LEU 75 Ca 0.20 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3k5r s LEU 75 Cb -0.16 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 3k5r s LEU 75 CO 0.16 -0.65 -0.03 -0.31 0.23 0.00 0.00 176.35 175.76 3k5r s TYR 76 N -2.34 0.25 0.00 0.29 1.51 0.14 -1.11 117.35 116.09 3k5r s TYR 76 Ca 0.51 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 3k5r s TYR 76 Cb -0.08 -0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.59 3k5r s TYR 76 CO 0.31 -0.13 -0.09 0.54 -1.11 0.00 0.00 175.55 175.07 3k5r s VAL 77 N -1.09 0.70 0.22 0.71 0.11 -0.31 -1.29 120.40 119.45 3k5r s VAL 77 Ca -0.11 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 3k5r s VAL 77 Cb -0.08 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 3k5r s VAL 77 CO -0.01 0.12 0.11 -1.83 -3.33 0.00 0.00 175.10 170.16 3k5r s GLU 78 N -0.41 1.27 0.08 1.54 -1.05 0.04 -1.29 118.70 118.88 3k5r s GLU 78 Ca 0.02 -1.67 0.04 0.00 -0.15 0.00 0.00 54.97 53.21 3k5r s GLU 78 Cb -0.04 0.02 -0.04 0.00 -0.44 0.00 0.00 34.13 33.63 3k5r s GLU 78 CO -0.00 -0.33 0.04 0.95 0.95 0.00 0.00 175.26 176.87 3k5r s THR 79 N -3.96 4.28 0.08 1.83 -4.23 -1.20 -0.30 115.64 112.13 3k5r s THR 79 Ca 0.37 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 3k5r s THR 79 Cb 0.07 -3.05 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 3k5r s THR 79 CO 0.12 0.12 -0.08 0.42 -0.54 0.00 0.00 174.62 174.67 3k5r s THR 80 N -1.35 0.69 1.10 3.99 -4.23 0.03 0.61 115.64 116.48 3k5r s THR 80 Ca 0.28 -1.60 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 3k5r s THR 80 Cb -0.12 -1.27 0.17 0.00 1.34 0.00 0.00 72.50 72.61 3k5r s THR 80 CO 0.20 -0.66 0.25 0.47 -0.54 0.00 0.00 174.62 174.34 3k5r n ASP 81 N 0.56 -2.91 -0.08 3.99 9.92 0.84 -1.19 116.55 127.68 3k5r n ASP 81 Ca -0.16 -0.35 -0.11 0.00 -0.53 0.00 0.00 54.79 53.64 3k5r n ASP 81 Cb 0.58 -0.85 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 3k5r n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3k5r h ALA 82 N -2.57 0.32 -0.53 2.24 0.00 -1.91 -3.03 119.26 113.79 3k5r h ALA 82 Ca -0.36 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.48 3k5r h ALA 82 Cb 1.03 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 3k5r h ALA 82 CO 0.24 -0.01 -0.28 0.77 0.00 0.00 0.00 179.25 179.97 3k5r h SER 83 N 0.21 -0.97 0.00 0.00 0.02 -1.93 -3.47 113.55 107.42 3k5r h SER 83 Ca 0.08 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3k5r h SER 83 Cb 0.31 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3k5r h SER 83 CO 0.00 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.02 3k5r n GLY 84 N -1.43 0.02 3.74 -3.77 0.00 -1.15 -5.14 105.19 97.47 3k5r n GLY 84 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3k5r n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k5r s LYS 85 N 0.00 4.44 0.09 1.61 2.20 -1.26 -4.73 119.74 122.09 3k5r s LYS 85 Ca 0.00 1.99 -0.30 0.00 -0.36 0.00 0.00 55.97 57.30 3k5r s LYS 85 Cb 0.00 -3.20 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 3k5r s LYS 85 CO 0.00 -0.16 1.09 0.99 -0.36 0.00 0.00 175.35 176.91 3k5r s THR 86 N -0.15 4.24 -0.09 3.43 2.01 -1.26 -0.11 115.64 123.70 3k5r s THR 86 Ca 0.54 1.73 -0.11 0.00 0.31 0.00 0.00 61.69 64.16 3k5r s THR 86 Cb -0.35 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 3k5r s THR 86 CO 0.39 0.20 -0.21 0.18 -0.69 0.00 0.00 174.62 174.49 3k5r n LEU 87 N 3.28 1.42 -4.25 4.42 4.77 0.20 -4.81 117.00 122.03 3k5r n LEU 87 Ca 0.05 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 3k5r n LEU 87 Cb 0.48 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3k5r n LEU 87 CO 0.54 -0.42 0.20 -1.61 -1.33 0.00 0.00 177.39 174.76 3k5r s GLU 88 N -2.38 3.03 0.76 3.23 0.41 -1.22 -4.97 118.70 117.56 3k5r s GLU 88 Ca -0.17 -2.18 -0.14 0.00 -0.41 0.00 0.00 54.97 52.07 3k5r s GLU 88 Cb 0.02 -4.16 -0.12 0.00 -1.78 0.00 0.00 34.13 28.09 3k5r s GLU 88 CO 0.26 -1.25 -0.58 0.41 -0.49 0.00 0.00 175.26 173.61 3k5r n GLY 89 N 4.33 -3.66 3.77 -1.39 0.00 -1.26 -3.27 105.19 103.71 3k5r n GLY 89 Ca 0.03 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3k5r n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k5r s PRO 90 N -1.52 4.08 -0.10 1.61 0.02 -1.26 -4.77 135.00 133.06 3k5r s PRO 90 Ca 0.35 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.72 3k5r s PRO 90 Cb -0.19 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3k5r s PRO 90 CO 0.66 -0.46 -0.23 0.08 -0.33 0.00 0.00 177.00 176.73 3k5r s VAL 91 N -1.18 1.97 0.51 3.83 1.01 -0.41 -4.90 120.40 121.23 3k5r s VAL 91 Ca 0.54 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 3k5r s VAL 91 Cb -0.41 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 3k5r s VAL 91 CO 0.55 0.54 1.16 -2.84 0.00 0.00 0.00 175.10 174.51 3k5r s PRO 92 N 0.36 3.51 -0.16 2.72 0.02 -1.26 -1.17 135.00 139.03 3k5r s PRO 92 Ca -0.18 1.73 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 3k5r s PRO 92 Cb -0.18 -2.20 0.07 0.00 0.02 0.00 0.00 34.50 32.21 3k5r s PRO 92 CO 0.08 -0.74 0.18 -1.17 -0.33 0.00 0.00 177.00 175.02 3k5r s LEU 93 N -3.44 -0.03 -0.12 -5.54 0.20 -0.27 -4.91 118.68 104.58 3k5r s LEU 93 Ca 0.69 -0.08 -0.17 0.00 0.69 0.00 0.00 54.13 55.26 3k5r s LEU 93 Cb -0.27 0.25 -0.04 0.00 -0.43 0.00 0.00 46.19 45.70 3k5r s LEU 93 CO 0.32 -0.30 0.43 -0.70 -0.29 0.00 0.00 176.35 175.81 3k5r s GLU 94 N 2.29 4.29 -0.15 1.98 2.12 -1.26 -0.36 118.70 127.61 3k5r s GLU 94 Ca 0.05 0.36 -0.11 0.00 0.36 0.00 0.00 54.97 55.63 3k5r s GLU 94 Cb -0.14 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3k5r s GLU 94 CO -0.09 0.22 0.22 0.54 -0.54 0.00 0.00 175.26 175.60 3k5r s VAL 95 N 0.45 5.36 -0.12 3.70 0.11 0.15 -0.80 120.40 129.25 3k5r s VAL 95 Ca 0.24 0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.70 3k5r s VAL 95 Cb -0.15 -3.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.17 3k5r s VAL 95 CO 0.09 0.47 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.50 3k5r s ILE 96 N 0.02 1.79 -0.20 7.04 1.09 0.39 0.05 121.20 131.38 3k5r s ILE 96 Ca 0.14 -0.83 -0.22 0.00 -1.10 0.00 0.00 60.65 58.65 3k5r s ILE 96 Cb -0.12 -1.59 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 3k5r s ILE 96 CO 0.03 0.50 0.67 -0.69 -0.10 0.00 0.00 174.94 175.34 3k5r s VAL 97 N 0.78 4.99 0.08 2.92 1.01 0.50 -0.53 120.40 130.15 3k5r s VAL 97 Ca -0.10 1.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.93 3k5r s VAL 97 Cb -0.16 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 3k5r s VAL 97 CO 0.01 0.08 0.64 -0.63 0.00 0.00 0.00 175.10 175.20 3k5r s ILE 98 N 2.07 4.67 0.29 2.22 -1.09 0.51 -4.87 121.20 125.01 3k5r s ILE 98 Ca 0.30 1.38 -0.30 0.00 -2.23 0.00 0.00 60.65 59.80 3k5r s ILE 98 Cb -0.16 -3.98 -0.11 0.00 -1.58 0.00 0.00 42.46 36.62 3k5r s ILE 98 CO 0.10 0.51 1.60 -0.62 -1.23 0.00 0.00 174.94 175.30 3k5r s ASP 99 N -0.88 6.36 0.56 3.58 -1.08 -1.26 -1.56 116.67 122.38 3k5r s ASP 99 Ca 0.32 2.96 0.37 0.00 -0.52 0.00 0.00 52.55 55.68 3k5r s ASP 99 Cb -0.20 -2.63 2.01 0.00 -1.46 0.00 0.00 42.92 40.63 3k5r s ASP 99 CO 0.21 -0.92 2.13 0.06 0.52 0.00 0.00 175.17 177.17 3k5r h GLN 100 N 4.85 0.00 -0.46 4.34 3.07 -1.96 0.22 115.11 125.17 3k5r h GLN 100 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 3k5r h GLN 100 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 3k5r h GLN 100 CO 0.79 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.80 3k5r n ASN 101 N -2.80 2.55 -4.30 0.06 3.02 -1.26 -4.76 115.26 107.77 3k5r n ASN 101 Ca -0.02 -1.99 -0.44 0.00 -0.03 0.00 0.00 54.58 52.11 3k5r n ASN 101 Cb 0.07 -0.31 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 3k5r n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k5r s ASP 102 N -1.04 5.98 -0.20 6.41 2.15 0.76 -4.92 116.67 125.80 3k5r s ASP 102 Ca 0.32 -1.67 0.16 0.00 0.43 0.00 0.00 52.55 51.79 3k5r s ASP 102 Cb 0.17 -2.12 0.78 0.00 -0.30 0.00 0.00 42.92 41.45 3k5r s ASP 102 CO 0.22 -0.72 1.71 0.59 -0.17 0.00 0.00 175.17 176.80 3k5r n ASN 103 N 5.11 5.39 -4.77 -0.34 3.02 -1.26 -4.80 115.26 117.61 3k5r n ASN 103 Ca -0.12 -2.79 -0.40 0.00 -0.03 0.00 0.00 54.58 51.25 3k5r n ASN 103 Cb 0.41 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 38.94 3k5r n ASN 103 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3k5r s ARG 104 N -2.49 3.80 0.46 3.52 0.52 -1.26 -4.94 118.95 118.56 3k5r s ARG 104 Ca 0.53 2.33 -0.25 0.00 -0.52 0.00 0.00 55.73 57.82 3k5r s ARG 104 Cb 0.39 -2.70 -0.08 0.00 0.52 0.00 0.00 34.95 33.08 3k5r s ARG 104 CO 0.19 -0.69 1.42 -1.25 0.02 0.00 0.00 175.30 174.98 3k5r s PRO 105 N -2.37 3.63 -0.06 3.54 0.04 -1.26 -4.95 135.00 133.57 3k5r s PRO 105 Ca 0.59 2.41 0.02 0.00 0.04 0.00 0.00 61.00 64.06 3k5r s PRO 105 Cb -0.42 -2.62 0.02 0.00 0.04 0.00 0.00 34.50 31.52 3k5r s PRO 105 CO 0.54 -0.86 -0.11 0.42 0.04 0.00 0.00 177.00 177.03 3k5r s ILE 106 N -1.21 1.04 -0.44 0.56 1.01 -1.26 -3.95 121.20 116.94 3k5r s ILE 106 Ca 0.62 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.61 3k5r s ILE 106 Cb -0.43 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.09 3k5r s ILE 106 CO 0.56 0.34 0.87 -0.36 0.00 0.00 0.00 174.94 176.34 3k5r s PHE 107 N 0.76 2.97 -1.37 3.97 0.08 -1.26 -0.37 117.98 122.75 3k5r s PHE 107 Ca -0.13 0.36 0.23 0.00 0.12 0.00 0.00 56.93 57.50 3k5r s PHE 107 Cb -0.15 -3.82 0.08 0.00 -0.57 0.00 0.00 43.02 38.56 3k5r s PHE 107 CO 0.03 -1.02 1.12 0.54 -0.10 0.00 0.00 175.22 175.79 3k5r n ARG 108 N 6.95 0.42 -0.74 0.44 1.74 -1.26 -4.48 116.66 119.74 3k5r n ARG 108 Ca 0.05 -0.33 0.08 0.00 -0.77 0.00 0.00 57.85 56.88 3k5r n ARG 108 Cb 0.48 -1.49 0.37 0.00 -1.02 0.00 0.00 32.46 30.80 3k5r n ARG 108 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3k5r n GLU 109 N -1.00 4.25 -2.10 5.56 -0.58 -1.26 -4.77 120.64 120.74 3k5r n GLU 109 Ca 0.07 -3.02 -0.27 0.00 -0.42 0.00 0.00 57.16 53.51 3k5r n GLU 109 Cb 0.37 -2.08 0.11 0.00 -0.57 0.00 0.00 31.44 29.27 3k5r n GLU 109 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3k5r s GLY 110 N -1.02 1.70 0.35 0.62 0.00 -1.26 -4.65 107.32 103.06 3k5r s GLY 110 Ca 0.51 -1.03 -0.28 0.00 0.00 0.00 0.00 44.72 43.92 3k5r s GLY 110 CO 0.17 -0.49 1.43 -1.55 0.00 0.00 0.00 173.10 172.66 3k5r n PRO 111 N -3.23 2.46 -3.49 2.90 -0.04 -1.26 -4.22 135.00 128.11 3k5r n PRO 111 Ca 0.11 0.86 -0.40 0.00 -0.04 0.00 0.00 63.50 64.03 3k5r n PRO 111 Cb 0.60 -2.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.41 3k5r n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3k5r s TYR 112 N -0.93 3.22 -0.13 0.54 2.02 -1.26 -5.03 117.35 115.79 3k5r s TYR 112 Ca 0.56 -0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 57.11 3k5r s TYR 112 Cb -0.52 -2.53 0.03 0.00 -0.40 0.00 0.00 41.96 38.54 3k5r s TYR 112 CO 0.61 -0.38 -0.04 0.42 -1.57 0.00 0.00 175.55 174.60 3k5r s ILE 113 N 1.81 0.83 0.31 2.71 1.01 -1.26 -1.26 121.20 125.36 3k5r s ILE 113 Ca 0.08 -0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.51 3k5r s ILE 113 Cb -0.17 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 3k5r s ILE 113 CO 0.11 0.21 -0.03 -0.83 0.00 0.00 0.00 174.94 174.40 3k5r s GLY 114 N 1.77 1.95 -0.01 6.18 0.00 0.13 -4.98 107.32 112.35 3k5r s GLY 114 Ca 0.03 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 42.86 3k5r s GLY 114 CO -0.07 -1.88 0.03 0.30 0.00 0.00 0.00 173.10 171.48 3k5r s HIS 115 N -2.48 -0.03 -0.02 1.90 3.76 -1.26 -1.78 115.29 115.38 3k5r s HIS 115 Ca 0.33 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 3k5r s HIS 115 Cb -0.02 0.00 0.02 0.00 1.11 0.00 0.00 32.58 33.69 3k5r s HIS 115 CO 0.19 -0.02 -0.01 0.54 -0.85 0.00 0.00 174.74 174.59 3k5r s VAL 116 N 0.05 0.22 0.32 -0.90 0.11 -0.31 -4.82 120.40 115.07 3k5r s VAL 116 Ca -0.00 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 3k5r s VAL 116 Cb -0.01 -0.28 -0.10 0.00 -1.53 0.00 0.00 36.38 34.47 3k5r s VAL 116 CO -0.00 0.13 1.23 -0.32 -3.33 0.00 0.00 175.10 172.81 3k5r s MET 117 N 0.71 4.43 0.64 1.54 1.75 -1.26 -0.29 119.30 126.81 3k5r s MET 117 Ca -0.07 2.06 -0.18 0.00 -1.25 0.00 0.00 55.69 56.25 3k5r s MET 117 Cb -0.10 -3.08 -0.01 0.00 2.84 0.00 0.00 34.83 34.47 3k5r s MET 117 CO -0.01 -0.07 1.30 -1.83 -0.65 0.00 0.00 175.02 173.76 3k5r s GLU 118 N -1.71 2.57 0.00 4.11 -1.05 -0.49 -2.30 118.70 119.83 3k5r s GLU 118 Ca 0.48 2.08 0.00 0.00 -0.15 0.00 0.00 54.97 57.38 3k5r s GLU 118 Cb -0.37 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.46 3k5r s GLU 118 CO 0.48 -1.59 0.00 0.41 0.95 0.00 0.00 175.26 175.51 3k5r n GLY 119 N 0.90 0.44 3.77 -3.83 0.00 0.13 -4.99 105.19 101.61 3k5r n GLY 119 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3k5r n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k5r s SER 120 N -2.14 6.61 0.62 1.61 0.01 -0.97 -4.75 113.70 114.69 3k5r s SER 120 Ca 0.00 2.80 -0.18 0.00 1.31 0.00 0.00 55.95 59.89 3k5r s SER 120 Cb 0.00 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 3k5r s SER 120 CO 0.00 -0.66 0.80 -2.65 0.41 0.00 0.00 173.24 171.14 3k5r n PRO 121 N 0.65 0.69 -1.73 12.44 -0.02 -1.26 -3.90 135.00 141.88 3k5r n PRO 121 Ca 0.00 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3k5r n PRO 121 Cb 0.41 -2.01 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3k5r n PRO 121 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3k5r n THR 122 N -1.87 1.92 -0.59 3.45 -1.04 -1.26 -2.09 114.28 112.81 3k5r n THR 122 Ca 0.13 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3k5r n THR 122 Cb 0.48 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 3k5r n THR 122 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k5r n GLY 123 N 0.77 0.69 3.70 3.41 0.00 0.13 -5.00 105.19 108.89 3k5r n GLY 123 Ca 0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3k5r n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5r s THR 124 N -2.00 3.49 -0.01 2.61 2.01 -0.89 -4.73 115.64 116.12 3k5r s THR 124 Ca 0.00 0.97 -0.30 0.00 0.31 0.00 0.00 61.69 62.67 3k5r s THR 124 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3k5r s THR 124 CO 0.00 0.03 1.14 -0.89 -0.69 0.00 0.00 174.62 174.21 3k5r s THR 125 N 1.93 4.34 -0.22 -0.82 2.01 -1.26 -1.15 115.64 120.48 3k5r s THR 125 Ca 0.65 1.67 -0.20 0.00 0.31 0.00 0.00 61.69 64.13 3k5r s THR 125 Cb -0.34 -4.07 -0.17 0.00 0.01 0.00 0.00 72.50 67.92 3k5r s THR 125 CO 0.29 0.07 0.08 0.52 -0.69 0.00 0.00 174.62 174.89 3k5r n VAL 126 N 4.23 1.53 -3.76 3.82 0.31 0.25 -4.97 118.33 119.73 3k5r n VAL 126 Ca 0.09 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.32 3k5r n VAL 126 Cb 0.47 -2.03 -0.01 0.00 -0.91 0.00 0.00 33.84 31.37 3k5r n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k5r s MET 127 N -2.39 1.08 -0.04 5.55 0.23 -1.22 -4.62 119.30 117.89 3k5r s MET 127 Ca -0.30 -0.62 0.06 0.00 -1.03 0.00 0.00 55.69 53.80 3k5r s MET 127 Cb 0.07 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.71 3k5r s MET 127 CO 0.55 -0.50 -0.21 0.50 -2.03 0.00 0.00 175.02 173.34 3k5r s ARG 128 N -2.90 2.04 -0.08 3.16 3.52 -1.26 0.26 118.95 123.69 3k5r s ARG 128 Ca 0.15 -0.75 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3k5r s ARG 128 Cb -0.01 -1.80 0.02 0.00 -1.56 0.00 0.00 34.95 31.60 3k5r s ARG 128 CO 0.02 0.35 -0.11 -1.64 -0.81 0.00 0.00 175.30 173.10 3k5r s MET 129 N -0.17 1.72 0.04 5.12 -1.94 0.47 -4.95 119.30 119.60 3k5r s MET 129 Ca -0.01 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.59 3k5r s MET 129 Cb -0.11 -1.52 -0.03 0.00 2.01 0.00 0.00 34.83 35.18 3k5r s MET 129 CO 0.02 -0.06 -0.05 0.95 -0.01 0.00 0.00 175.02 175.86 3k5r s THR 130 N 0.98 0.36 0.24 2.05 -4.23 -1.26 -4.42 115.64 109.36 3k5r s THR 130 Ca -0.08 -1.27 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 3k5r s THR 130 Cb -0.15 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 72.87 3k5r s THR 130 CO -0.00 -0.60 0.36 0.00 -0.54 0.00 0.00 174.62 173.84 3k5r s ALA 131 N -2.16 3.93 0.00 3.99 0.00 -1.26 -4.45 121.76 121.81 3k5r s ALA 131 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3k5r s ALA 131 Cb -0.05 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3k5r s ALA 131 CO -0.03 0.25 0.00 1.19 0.00 0.00 0.00 175.76 177.18 3k5r n PHE 132 N -1.36 -1.74 0.00 0.00 0.99 0.50 -4.69 117.46 111.16 3k5r n PHE 132 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 3k5r n PHE 132 Cb 0.57 0.27 0.00 0.00 -1.00 0.00 0.00 39.48 39.31 3k5r n PHE 132 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3k5r n ASP 133 N -2.81 0.00 -0.57 4.37 -0.08 -1.26 -4.78 116.55 111.41 3k5r n ASP 133 Ca 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 3k5r n ASP 133 Cb 0.00 -0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.31 3k5r n ASP 133 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k5r n ALA 134 N -0.95 -2.51 0.00 -1.67 0.00 -1.26 -4.87 120.51 109.25 3k5r n ALA 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k5r n ALA 134 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3k5r n ALA 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k5r n ASP 135 N 0.00 0.00 -4.82 0.00 8.00 -1.26 -5.08 116.55 113.39 3k5r n ASP 135 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 3k5r n ASP 135 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 3k5r n ASP 135 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3k5r s ASP 136 N -2.46 4.24 -0.47 -2.24 3.84 -1.26 -4.98 116.67 113.33 3k5r s ASP 136 Ca 0.00 0.76 -0.43 0.00 -0.00 0.00 0.00 52.55 52.89 3k5r s ASP 136 Cb 0.00 -1.23 -0.18 0.00 -1.38 0.00 0.00 42.92 40.13 3k5r s ASP 136 CO 0.00 -2.07 1.78 -2.65 -0.00 0.00 0.00 175.17 172.22 3k5r n PRO 137 N -3.42 0.00 -1.41 2.11 -0.02 -1.26 -4.16 135.00 126.83 3k5r n PRO 137 Ca 0.08 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 61.04 3k5r n PRO 137 Cb 0.61 -1.42 -0.08 0.00 -0.02 0.00 0.00 33.50 32.59 3k5r n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k5r n ALA 138 N 5.52 0.92 0.23 3.55 0.00 -1.26 -4.83 120.51 124.64 3k5r n ALA 138 Ca 0.41 -0.01 0.17 0.00 0.00 0.00 0.00 53.44 54.01 3k5r n ALA 138 Cb -0.05 -2.46 0.73 0.00 0.00 0.00 0.00 19.45 17.67 3k5r n ALA 138 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3k5r h THR 139 N 7.06 0.13 -1.10 0.00 2.02 -1.99 -3.00 112.91 116.03 3k5r h THR 139 Ca -0.24 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.29 3k5r h THR 139 Cb 1.34 0.60 -0.13 0.00 -1.74 0.00 0.00 68.15 68.21 3k5r h THR 139 CO 1.03 0.00 0.67 0.44 0.37 0.00 0.00 175.52 178.03 3k5r h ASP 140 N 0.00 0.42 0.35 4.18 3.45 -1.91 -2.68 116.42 120.22 3k5r h ASP 140 Ca 0.09 0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.66 3k5r h ASP 140 Cb 0.97 0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 3k5r h ASP 140 CO -0.00 -0.12 -0.21 0.78 -1.57 0.00 0.00 179.24 178.12 3k5r h ASN 141 N 0.26 0.00 1.34 6.45 2.35 -1.92 -2.75 115.58 121.30 3k5r h ASN 141 Ca 0.74 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.46 3k5r h ASN 141 Cb 1.92 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.29 3k5r h ASN 141 CO -0.50 0.21 -0.14 0.00 -1.65 0.00 0.00 177.43 175.36 3k5r h ALA 142 N 1.79 0.96 -6.50 -0.83 0.00 -1.68 -3.07 119.26 109.92 3k5r h ALA 142 Ca -0.00 -0.12 -0.48 0.00 0.00 0.00 0.00 54.91 54.30 3k5r h ALA 142 Cb 0.44 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.25 3k5r h ALA 142 CO 0.03 0.17 -0.94 -0.11 0.00 0.00 0.00 179.25 178.39 3k5r n LEU 143 N -3.20 -1.98 -4.76 0.00 7.94 -1.04 -1.02 117.00 112.94 3k5r n LEU 143 Ca 0.02 -1.07 -0.41 0.00 -1.11 0.00 0.00 56.01 53.43 3k5r n LEU 143 Cb 0.47 -2.07 -0.03 0.00 0.53 0.00 0.00 43.42 42.31 3k5r n LEU 143 CO 0.33 0.52 0.90 -0.76 -1.11 0.00 0.00 177.39 177.27 3k5r s LEU 144 N -6.56 4.48 0.02 -1.96 1.43 -1.26 -1.35 118.68 113.47 3k5r s LEU 144 Ca 0.41 2.47 0.06 0.00 -1.03 0.00 0.00 54.13 56.04 3k5r s LEU 144 Cb -0.18 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3k5r s LEU 144 CO 0.90 -0.37 -0.17 -0.13 0.23 0.00 0.00 176.35 176.81 3k5r s ARG 145 N -1.36 1.19 0.11 1.70 1.81 -0.25 -4.69 118.95 117.45 3k5r s ARG 145 Ca 0.48 -0.73 0.08 0.00 -1.72 0.00 0.00 55.73 53.84 3k5r s ARG 145 Cb -0.36 -1.21 -0.04 0.00 -0.45 0.00 0.00 34.95 32.89 3k5r s ARG 145 CO 0.46 0.31 -0.15 0.71 -0.68 0.00 0.00 175.30 175.95 3k5r s TYR 146 N -0.65 2.61 -0.10 -0.53 1.51 0.11 -1.20 117.35 119.09 3k5r s TYR 146 Ca 0.05 -0.22 -0.16 0.00 -1.01 0.00 0.00 57.07 55.72 3k5r s TYR 146 Cb -0.07 -1.38 0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3k5r s TYR 146 CO 0.01 0.39 0.41 1.21 -1.11 0.00 0.00 175.55 176.46 3k5r s ASN 147 N -2.12 -0.38 -0.43 2.29 3.04 -0.67 -4.16 114.94 112.51 3k5r s ASN 147 Ca 0.19 0.60 -0.23 0.00 0.04 0.00 0.00 52.86 53.46 3k5r s ASN 147 Cb -0.11 0.66 0.02 0.00 -1.54 0.00 0.00 41.25 40.29 3k5r s ASN 147 CO 0.11 -0.28 0.78 -0.63 -3.04 0.00 0.00 177.10 174.04 3k5r s ILE 148 N -0.38 4.67 0.08 -5.21 1.01 -1.26 -0.45 121.20 119.66 3k5r s ILE 148 Ca -0.05 0.53 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 3k5r s ILE 148 Cb -0.03 -4.29 -0.26 0.00 0.01 0.00 0.00 42.46 37.89 3k5r s ILE 148 CO 0.03 -0.64 1.17 0.03 0.00 0.00 0.00 174.94 175.52 3k5r h ARG 149 N 8.86 0.50 -2.56 2.79 3.08 -0.68 -3.47 114.38 122.89 3k5r h ARG 149 Ca -0.25 -0.65 -0.10 0.00 0.07 0.00 0.00 59.98 59.05 3k5r h ARG 149 Cb 1.09 0.21 -0.21 0.00 0.08 0.00 0.00 29.97 31.14 3k5r h ARG 149 CO 0.95 1.27 -0.10 -1.14 -1.07 0.00 0.00 179.97 179.88 3k5r s GLN 150 N -3.00 0.71 -0.09 0.04 0.74 -1.16 -4.97 119.66 111.93 3k5r s GLN 150 Ca -0.07 0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.71 3k5r s GLN 150 Cb 0.07 0.33 0.02 0.00 1.10 0.00 0.00 33.01 34.53 3k5r s GLN 150 CO 0.91 -0.16 -0.12 -1.14 -0.55 0.00 0.00 175.29 174.23 3k5r s GLN 151 N -0.49 1.84 -0.07 1.67 0.74 -1.26 -1.22 119.66 120.88 3k5r s GLN 151 Ca -0.06 -0.43 0.03 0.00 0.05 0.00 0.00 55.36 54.95 3k5r s GLN 151 Cb -0.03 -1.60 0.01 0.00 1.10 0.00 0.00 33.01 32.49 3k5r s GLN 151 CO 0.04 -0.06 -0.14 0.99 -0.55 0.00 0.00 175.29 175.57 3k5r s THR 152 N 0.98 1.26 0.91 -0.34 2.01 -0.28 -3.94 115.64 116.24 3k5r s THR 152 Ca -0.08 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 3k5r s THR 152 Cb -0.15 -1.14 0.13 0.00 0.01 0.00 0.00 72.50 71.36 3k5r s THR 152 CO -0.00 0.38 1.13 -2.16 -0.69 0.00 0.00 174.62 173.28 3k5r s PRO 153 N 0.54 1.19 -0.31 4.92 0.04 -1.26 -0.41 135.00 139.71 3k5r s PRO 153 Ca -0.14 0.32 0.05 0.00 0.04 0.00 0.00 61.00 61.27 3k5r s PRO 153 Cb -0.15 -1.84 0.55 0.00 0.04 0.00 0.00 34.50 33.09 3k5r s PRO 153 CO 0.04 -2.17 1.67 -0.40 0.04 0.00 0.00 177.00 176.18 3k5r n ASP 154 N -3.75 3.83 -4.03 6.66 3.85 -1.25 -4.90 116.55 116.96 3k5r n ASP 154 Ca 0.06 -3.14 -0.11 0.00 -0.71 0.00 0.00 54.79 50.89 3k5r n ASP 154 Cb 0.59 -0.74 -0.11 0.00 -1.35 0.00 0.00 41.12 39.51 3k5r n ASP 154 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3k5r s LYS 155 N -2.53 0.45 0.34 0.11 1.02 -1.26 -3.05 119.74 114.81 3k5r s LYS 155 Ca 0.44 -0.72 0.24 0.00 0.02 0.00 0.00 55.97 55.95 3k5r s LYS 155 Cb 0.36 -0.12 0.42 0.00 -0.52 0.00 0.00 37.83 37.97 3k5r s LYS 155 CO 0.09 0.01 1.57 -1.00 -0.92 0.00 0.00 175.35 175.10 3k5r h PRO 156 N 4.49 0.00 -6.55 -1.68 0.13 -1.93 -3.46 132.00 123.00 3k5r h PRO 156 Ca -0.34 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.09 3k5r h PRO 156 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 3k5r h PRO 156 CO 0.42 0.00 -0.85 0.45 -0.23 0.00 0.00 178.00 177.79 3k5r s SER 157 N -5.57 3.42 0.31 1.44 0.15 -1.26 -5.03 113.70 107.16 3k5r s SER 157 Ca 0.07 -0.41 0.25 0.00 0.70 0.00 0.00 55.95 56.56 3k5r s SER 157 Cb 0.08 -0.50 1.09 0.00 -1.71 0.00 0.00 66.02 64.98 3k5r s SER 157 CO 0.67 0.31 1.75 1.55 1.20 0.00 0.00 173.24 178.72 3k5r h PRO 158 N 5.25 0.00 -2.21 5.44 0.13 -1.89 -3.34 132.00 135.38 3k5r h PRO 158 Ca -0.45 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 3k5r h PRO 158 Cb 1.14 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.87 3k5r h PRO 158 CO 0.47 0.00 -0.98 0.27 -0.23 0.00 0.00 178.00 177.53 3k5r n ASN 159 N -2.36 0.48 0.22 1.44 6.94 -1.26 -4.72 115.26 116.01 3k5r n ASN 159 Ca 0.01 -2.69 0.06 0.00 -0.02 0.00 0.00 54.58 51.94 3k5r n ASN 159 Cb 0.20 -0.62 0.51 0.00 -2.36 0.00 0.00 39.78 37.51 3k5r n ASN 159 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3k5r h MET 160 N 4.65 0.00 -5.12 -3.83 2.86 -1.97 -3.44 114.93 108.08 3k5r h MET 160 Ca 0.15 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.36 3k5r h MET 160 Cb 0.86 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.38 3k5r h MET 160 CO 0.48 0.22 -0.61 -0.06 1.06 0.00 0.00 176.91 178.00 3k5r s PHE 161 N -4.44 1.83 -0.13 -0.22 0.40 -1.26 -1.16 117.98 113.00 3k5r s PHE 161 Ca -0.03 -1.03 -0.09 0.00 -0.60 0.00 0.00 56.93 55.17 3k5r s PHE 161 Cb 0.15 -1.16 0.04 0.00 0.51 0.00 0.00 43.02 42.56 3k5r s PHE 161 CO 0.68 -0.10 0.32 -0.47 0.70 0.00 0.00 175.22 176.35 3k5r s TYR 162 N -3.44 -0.41 -0.21 0.36 5.04 -0.09 -4.81 117.35 113.79 3k5r s TYR 162 Ca 0.37 0.95 -0.10 0.00 -2.44 0.00 0.00 57.07 55.85 3k5r s TYR 162 Cb 0.08 0.14 -0.05 0.00 0.35 0.00 0.00 41.96 42.48 3k5r s TYR 162 CO 0.15 -0.23 0.13 -1.50 -1.34 0.00 0.00 175.55 172.76 3k5r s ILE 163 N 0.80 5.34 -0.14 3.14 2.07 -1.26 -0.77 121.20 130.38 3k5r s ILE 163 Ca -0.05 0.17 -0.34 0.00 -1.41 0.00 0.00 60.65 59.01 3k5r s ILE 163 Cb -0.06 -3.45 -0.11 0.00 0.13 0.00 0.00 42.46 38.97 3k5r s ILE 163 CO -0.06 0.42 1.93 -0.67 -1.91 0.00 0.00 174.94 174.66 3k5r n ASP 164 N 3.67 3.25 -0.31 4.50 -0.08 0.47 -4.82 116.55 123.23 3k5r n ASP 164 Ca -0.16 0.87 0.10 0.00 -1.51 0.00 0.00 54.79 54.09 3k5r n ASP 164 Cb 0.52 -1.36 0.27 0.00 2.34 0.00 0.00 41.12 42.89 3k5r n ASP 164 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3k5r h PRO 165 N 9.84 0.58 0.06 -0.67 0.11 -1.92 -0.70 132.00 139.29 3k5r h PRO 165 Ca -0.46 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3k5r h PRO 165 Cb 1.28 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3k5r h PRO 165 CO 0.96 0.38 -0.76 1.49 -0.21 0.00 0.00 178.00 179.86 3k5r h GLU 166 N 0.60 0.12 0.00 1.05 4.81 -1.88 0.34 114.58 119.62 3k5r h GLU 166 Ca 0.52 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3k5r h GLU 166 Cb 0.83 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 3k5r h GLU 166 CO -0.41 1.10 -1.33 1.63 -0.73 0.00 0.00 179.01 179.27 3k5r n LYS 167 N -4.31 0.62 -1.00 1.92 5.02 -1.17 -4.90 118.16 114.34 3k5r n LYS 167 Ca -0.19 0.04 -0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3k5r n LYS 167 Cb 0.69 -1.74 -0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3k5r n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k5r n GLY 168 N 1.23 0.48 3.67 0.72 0.00 -0.28 -4.69 105.19 106.33 3k5r n GLY 168 Ca -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3k5r n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k5r s ASP 169 N -2.09 6.93 -0.21 1.61 1.01 -1.26 -0.39 116.67 122.28 3k5r s ASP 169 Ca 0.00 1.86 -0.15 0.00 0.71 0.00 0.00 52.55 54.96 3k5r s ASP 169 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 3k5r s ASP 169 CO 0.00 -0.72 0.38 -0.63 0.21 0.00 0.00 175.17 174.41 3k5r s ILE 170 N 3.00 5.21 0.19 0.77 1.01 0.14 -0.39 121.20 131.13 3k5r s ILE 170 Ca 0.59 0.67 0.09 0.00 0.00 0.00 0.00 60.65 62.00 3k5r s ILE 170 Cb -0.25 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3k5r s ILE 170 CO 0.20 0.25 -0.18 0.68 0.00 0.00 0.00 174.94 175.89 3k5r s VAL 171 N 1.32 1.96 0.31 2.92 -7.23 0.05 0.87 120.40 120.60 3k5r s VAL 171 Ca 0.18 -2.07 -0.27 0.00 -1.81 0.00 0.00 61.98 58.01 3k5r s VAL 171 Cb -0.15 -1.99 -0.10 0.00 0.56 0.00 0.00 36.38 34.71 3k5r s VAL 171 CO 0.08 -0.37 0.98 0.42 -0.31 0.00 0.00 175.10 175.89 3k5r s THR 172 N -2.29 4.02 0.00 5.32 -4.23 -0.30 -0.92 115.64 117.25 3k5r s THR 172 Ca 0.20 1.78 0.00 0.00 -1.18 0.00 0.00 61.69 62.49 3k5r s THR 172 Cb -0.05 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3k5r s THR 172 CO 0.08 0.23 0.84 1.33 -0.54 0.00 0.00 174.62 176.57 3k5r n VAL 173 N 0.76 0.71 -3.92 2.29 0.24 -0.31 0.17 118.33 118.27 3k5r n VAL 173 Ca 0.01 -0.77 -0.21 0.00 -2.04 0.00 0.00 64.34 61.33 3k5r n VAL 173 Cb 0.49 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 3k5r n VAL 173 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3k5r s VAL 174 N -0.71 4.68 0.61 3.34 -7.23 -1.24 -4.92 120.40 114.92 3k5r s VAL 174 Ca 0.00 -1.15 -0.19 0.00 -1.81 0.00 0.00 61.98 58.83 3k5r s VAL 174 Cb 0.00 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.32 3k5r s VAL 174 CO 0.00 -0.29 1.24 -0.24 -0.31 0.00 0.00 175.10 175.49 3k5r n SER 175 N -1.37 1.96 0.07 4.85 2.88 -1.26 -4.13 113.62 116.61 3k5r n SER 175 Ca -0.07 0.87 0.17 0.00 -1.33 0.00 0.00 58.87 58.51 3k5r n SER 175 Cb 0.58 -1.52 0.68 0.00 -0.75 0.00 0.00 64.21 63.19 3k5r n SER 175 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3k5r h PRO 176 N 0.77 0.00 0.00 -1.46 0.13 -1.86 -1.40 132.00 128.19 3k5r h PRO 176 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3k5r h PRO 176 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3k5r h PRO 176 CO 0.54 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.12 3k5r h ALA 177 N 1.80 1.47 0.00 -0.56 0.00 -1.89 -2.32 119.26 117.76 3k5r h ALA 177 Ca 0.19 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3k5r h ALA 177 Cb 0.77 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3k5r h ALA 177 CO -0.00 0.24 -0.60 1.25 0.00 0.00 0.00 179.25 180.14 3k5r h LEU 178 N 0.00 0.00 -8.00 0.00 5.85 -1.60 -3.40 115.31 108.17 3k5r h LEU 178 Ca -0.00 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 58.07 3k5r h LEU 178 Cb 0.39 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 3k5r h LEU 178 CO 0.02 0.60 1.57 -0.76 -0.34 0.00 0.00 178.44 179.53 3k5r s LEU 179 N -6.68 3.94 -0.20 2.25 1.02 -0.87 -4.78 118.68 113.36 3k5r s LEU 179 Ca 0.02 -1.92 -0.07 0.00 0.02 0.00 0.00 54.13 52.19 3k5r s LEU 179 Cb 0.09 -2.53 0.09 0.00 0.02 0.00 0.00 46.19 43.85 3k5r s LEU 179 CO 0.75 -1.30 0.42 -0.62 0.02 0.00 0.00 176.35 175.63 3k5r s ASP 180 N 4.42 -0.29 0.20 2.29 3.68 -1.26 0.17 116.67 125.88 3k5r s ASP 180 Ca 0.46 0.99 -0.11 0.00 2.13 0.00 0.00 52.55 56.02 3k5r s ASP 180 Cb 0.00 1.31 0.27 0.00 -1.45 0.00 0.00 42.92 43.05 3k5r s ASP 180 CO -0.05 -0.23 1.69 0.03 0.13 0.00 0.00 175.17 176.75 3k5r h ARG 181 N 8.07 0.18 0.00 4.34 3.08 -1.90 -2.37 114.38 125.78 3k5r h ARG 181 Ca -0.18 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3k5r h ARG 181 Cb 1.11 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 3k5r h ARG 181 CO 0.13 0.12 -0.02 0.93 -1.07 0.00 0.00 179.97 180.06 3k5r h GLU 182 N 0.19 0.00 0.00 0.04 5.08 -1.98 -2.57 114.58 115.33 3k5r h GLU 182 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3k5r h GLU 182 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3k5r h GLU 182 CO -0.43 0.02 -0.79 2.41 -1.00 0.00 0.00 179.01 179.22 3k5r n THR 183 N -3.24 0.00 -2.56 1.13 -1.04 -0.99 -4.89 114.28 102.69 3k5r n THR 183 Ca -0.02 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 3k5r n THR 183 Cb 0.17 0.79 -0.03 0.00 -1.82 0.00 0.00 70.33 69.44 3k5r n THR 183 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3k5r s LEU 184 N -2.87 4.26 0.18 -4.42 1.02 -0.93 -4.94 118.68 110.98 3k5r s LEU 184 Ca 0.02 1.69 -0.07 0.00 0.02 0.00 0.00 54.13 55.78 3k5r s LEU 184 Cb 0.08 -3.56 0.06 0.00 0.02 0.00 0.00 46.19 42.80 3k5r s LEU 184 CO 0.45 -0.53 1.53 -0.08 0.02 0.00 0.00 176.35 177.74 3k5r h GLU 185 N 7.31 0.80 -3.63 1.70 4.57 -1.89 -3.39 114.58 120.06 3k5r h GLU 185 Ca -0.32 -0.41 -0.49 0.00 -1.18 0.00 0.00 59.36 56.96 3k5r h GLU 185 Cb 1.15 0.01 -0.39 0.00 -0.16 0.00 0.00 28.75 29.36 3k5r h GLU 185 CO 0.87 1.04 -0.77 1.21 -1.18 0.00 0.00 179.01 180.19 3k5r s ASN 186 N -6.84 2.41 0.00 1.04 3.84 -1.26 -5.03 114.94 109.10 3k5r s ASN 186 Ca -0.10 -0.54 0.30 0.00 0.21 0.00 0.00 52.86 52.74 3k5r s ASN 186 Cb 0.12 -0.55 1.70 0.00 -0.55 0.00 0.00 41.25 41.97 3k5r s ASN 186 CO 0.86 -0.26 2.11 -0.81 -2.79 0.00 0.00 177.10 176.21 3k5r n PRO 187 N 5.08 1.12 -4.36 0.43 -0.04 -1.26 -4.66 135.00 131.32 3k5r n PRO 187 Ca -0.08 -0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 62.86 3k5r n PRO 187 Cb 0.48 -1.48 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 3k5r n PRO 187 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3k5r s LYS 188 N -2.00 3.52 -0.12 0.54 1.02 -1.26 -1.38 119.74 120.06 3k5r s LYS 188 Ca 0.45 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.80 3k5r s LYS 188 Cb 0.21 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 3k5r s LYS 188 CO 0.35 0.11 0.06 0.71 -0.92 0.00 0.00 175.35 175.67 3k5r s TYR 189 N 0.68 3.34 -0.22 3.18 1.51 -0.06 -4.53 117.35 121.26 3k5r s TYR 189 Ca -0.03 0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 56.22 3k5r s TYR 189 Cb -0.15 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 3k5r s TYR 189 CO 0.02 0.48 0.10 -2.00 -1.11 0.00 0.00 175.55 173.04 3k5r s GLU 190 N -0.61 3.96 0.02 -0.62 2.12 0.46 -1.11 118.70 122.91 3k5r s GLU 190 Ca 0.11 -0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.15 3k5r s GLU 190 Cb -0.12 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 3k5r s GLU 190 CO 0.02 0.12 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.25 3k5r s LEU 191 N 0.84 3.01 -0.25 2.70 1.43 0.20 -1.13 118.68 125.49 3k5r s LEU 191 Ca 0.05 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3k5r s LEU 191 Cb -0.13 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3k5r s LEU 191 CO 0.02 0.27 0.04 -0.63 0.23 0.00 0.00 176.35 176.28 3k5r s ILE 192 N -0.99 4.01 -0.09 -0.59 1.01 -0.35 -1.18 121.20 123.01 3k5r s ILE 192 Ca 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 3k5r s ILE 192 Cb -0.11 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3k5r s ILE 192 CO 0.07 0.33 0.01 -0.63 0.00 0.00 0.00 174.94 174.73 3k5r s ILE 193 N 1.56 4.41 0.02 2.92 -1.09 -0.05 0.10 121.20 129.08 3k5r s ILE 193 Ca 0.06 -0.21 0.08 0.00 -2.23 0.00 0.00 60.65 58.34 3k5r s ILE 193 Cb -0.15 -2.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 3k5r s ILE 193 CO 0.02 0.60 -0.23 -0.70 -1.23 0.00 0.00 174.94 173.40 3k5r s GLU 194 N -0.85 1.63 -0.04 2.79 2.12 0.40 -1.16 118.70 123.60 3k5r s GLU 194 Ca 0.13 -0.93 0.05 0.00 0.36 0.00 0.00 54.97 54.58 3k5r s GLU 194 Cb -0.11 -1.70 -0.02 0.00 0.26 0.00 0.00 34.13 32.55 3k5r s GLU 194 CO 0.02 0.45 -0.18 0.00 -0.54 0.00 0.00 175.26 175.01 3k5r s ALA 195 N -0.71 2.49 -0.04 6.30 0.00 0.25 -1.67 121.76 128.38 3k5r s ALA 195 Ca 0.09 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3k5r s ALA 195 Cb -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.22 3k5r s ALA 195 CO 0.01 0.54 -0.06 -1.14 0.00 0.00 0.00 175.76 175.11 3k5r s GLN 196 N -0.66 0.91 -0.15 0.00 0.74 -0.34 -1.34 119.66 118.82 3k5r s GLN 196 Ca 0.10 -0.16 -0.29 0.00 0.05 0.00 0.00 55.36 55.06 3k5r s GLN 196 Cb -0.11 -0.87 -0.05 0.00 1.10 0.00 0.00 33.01 33.08 3k5r s GLN 196 CO 0.00 -0.04 1.98 -0.51 -0.55 0.00 0.00 175.29 176.17 3k5r s ASP 197 N 0.74 6.00 0.00 6.67 -0.00 -0.40 -1.09 116.67 128.59 3k5r s ASP 197 Ca -0.11 2.04 0.26 0.00 -0.00 0.00 0.00 52.55 54.74 3k5r s ASP 197 Cb -0.13 -2.52 0.75 0.00 -0.00 0.00 0.00 42.92 41.02 3k5r s ASP 197 CO 0.01 -1.51 1.57 0.23 -0.00 0.00 0.00 175.17 175.47 3k5r n MET 198 N 8.11 1.21 -2.95 8.23 2.81 -0.19 0.14 117.12 134.48 3k5r n MET 198 Ca 0.24 -0.76 -0.07 0.00 -1.81 0.00 0.00 57.70 55.30 3k5r n MET 198 Cb 0.44 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.48 3k5r n MET 198 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k5r n ALA 199 N -0.23 -1.14 -0.12 3.04 0.00 -0.94 -4.89 120.51 116.23 3k5r n ALA 199 Ca 0.14 -0.90 0.02 0.00 0.00 0.00 0.00 53.44 52.70 3k5r n ALA 199 Cb 0.37 0.72 -0.00 0.00 0.00 0.00 0.00 19.45 20.54 3k5r n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k5r n GLY 200 N -0.37 -1.32 0.31 0.00 0.00 -1.16 -3.47 105.19 99.18 3k5r n GLY 200 Ca -0.06 -1.51 0.20 0.00 0.00 0.00 0.00 46.02 44.66 3k5r n GLY 200 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k5r h LEU 201 N -0.11 0.00 -3.44 0.99 3.38 -1.98 -1.77 115.31 112.38 3k5r h LEU 201 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3k5r h LEU 201 Cb 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.75 3k5r h LEU 201 CO 0.00 0.01 0.06 0.47 0.09 0.00 0.00 178.44 179.07 3k5r n ASP 202 N -3.16 3.21 -4.57 -0.43 8.00 -1.26 -5.02 116.55 113.31 3k5r n ASP 202 Ca -0.02 -3.51 -0.51 0.00 0.71 0.00 0.00 54.79 51.47 3k5r n ASP 202 Cb 0.16 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 40.56 3k5r n ASP 202 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3k5r n VAL 203 N -0.88 0.50 0.00 2.53 3.14 -0.67 -1.94 118.33 121.01 3k5r n VAL 203 Ca 0.34 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 3k5r n VAL 203 Cb 1.11 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 3k5r n VAL 203 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k5r n GLY 204 N 2.16 3.23 3.77 7.55 0.00 0.12 -5.00 105.19 117.01 3k5r n GLY 204 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3k5r n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5r s LEU 205 N 0.00 4.20 0.09 0.99 1.43 -0.82 -4.78 118.68 119.79 3k5r s LEU 205 Ca 0.00 2.57 0.04 0.00 -1.03 0.00 0.00 54.13 55.71 3k5r s LEU 205 Cb 0.00 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 3k5r s LEU 205 CO 0.00 -0.81 -0.12 0.42 0.23 0.00 0.00 176.35 176.07 3k5r s THR 206 N -1.30 1.02 0.11 5.49 -4.23 -1.26 -1.28 115.64 114.19 3k5r s THR 206 Ca 0.57 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 3k5r s THR 206 Cb -0.36 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 3k5r s THR 206 CO 0.46 -0.43 0.11 -0.83 -0.54 0.00 0.00 174.62 173.39 3k5r s GLY 207 N -2.17 0.53 0.04 3.99 0.00 -0.45 -4.42 107.32 104.84 3k5r s GLY 207 Ca 0.03 -1.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.66 3k5r s GLY 207 CO 0.01 -1.11 -0.03 -0.51 0.00 0.00 0.00 173.10 171.45 3k5r s THR 208 N -3.95 0.23 0.09 0.90 -4.23 -1.26 -0.58 115.64 106.84 3k5r s THR 208 Ca 0.14 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.06 3k5r s THR 208 Cb 0.06 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 3k5r s THR 208 CO -0.05 -0.82 0.12 0.00 -0.54 0.00 0.00 174.62 173.33 3k5r s ALA 209 N -3.08 0.12 0.15 3.99 0.00 -0.31 -4.77 121.76 117.86 3k5r s ALA 209 Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3k5r s ALA 209 Cb 0.02 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3k5r s ALA 209 CO -0.07 -0.48 0.29 0.95 0.00 0.00 0.00 175.76 176.45 3k5r s THR 210 N -3.91 5.32 0.04 0.00 -4.23 -1.26 -0.87 115.64 110.73 3k5r s THR 210 Ca 0.08 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 3k5r s THR 210 Cb 0.06 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 3k5r s THR 210 CO -0.08 -0.09 -0.04 0.00 -0.54 0.00 0.00 174.62 173.87 3k5r s ALA 211 N -1.74 0.36 0.04 3.99 0.00 -0.33 -4.25 121.76 119.83 3k5r s ALA 211 Ca 0.35 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.56 3k5r s ALA 211 Cb -0.11 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3k5r s ALA 211 CO 0.29 -0.17 -0.13 0.95 0.00 0.00 0.00 175.76 176.69 3k5r s THR 212 N -2.07 3.18 -0.09 0.00 -4.23 -0.39 0.61 115.64 112.65 3k5r s THR 212 Ca -0.08 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 3k5r s THR 212 Cb -0.05 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3k5r s THR 212 CO -0.03 0.32 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.66 3k5r s ILE 213 N -1.00 0.97 -0.14 2.99 1.01 -0.26 0.19 121.20 124.96 3k5r s ILE 213 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 3k5r s ILE 213 Cb -0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 3k5r s ILE 213 CO 0.07 0.34 0.05 -0.69 0.00 0.00 0.00 174.94 174.72 3k5r s VAL 214 N 1.30 4.71 -0.28 2.92 1.01 -0.73 -0.88 120.40 128.45 3k5r s VAL 214 Ca -0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 3k5r s VAL 214 Cb -0.14 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3k5r s VAL 214 CO -0.03 0.54 0.56 -0.63 0.00 0.00 0.00 175.10 175.54 3k5r s ILE 215 N -0.33 5.02 0.21 2.22 1.09 -0.48 -1.16 121.20 127.78 3k5r s ILE 215 Ca 0.08 0.88 0.07 0.00 -1.10 0.00 0.00 60.65 60.57 3k5r s ILE 215 Cb -0.12 -3.90 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 3k5r s ILE 215 CO 0.02 -0.01 0.13 -1.81 -0.10 0.00 0.00 174.94 173.17 3k5r s ASP 216 N 1.57 5.34 0.00 3.58 1.01 0.60 -4.81 116.67 123.96 3k5r s ASP 216 Ca 0.23 -0.26 0.30 0.00 0.71 0.00 0.00 52.55 53.53 3k5r s ASP 216 Cb -0.15 -1.32 1.54 0.00 1.01 0.00 0.00 42.92 43.99 3k5r s ASP 216 CO 0.10 0.02 2.02 0.47 0.21 0.00 0.00 175.17 177.99