#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4k s ASP 2 N 0.00 2.99 -0.21 0.00 1.01 -1.26 -5.04 116.67 114.16 3d4k s ASP 2 Ca 0.00 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.24 3d4k s ASP 2 Cb 0.00 -1.59 -0.00 0.00 1.01 0.00 0.00 42.92 42.34 3d4k s ASP 2 CO 0.00 -2.88 -0.07 -0.89 0.21 0.00 0.00 175.17 171.54 3d4k s THR 3 N -3.16 3.12 -0.04 -1.27 2.01 -1.26 -5.03 115.64 110.00 3d4k s THR 3 Ca 0.65 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.11 3d4k s THR 3 Cb -0.16 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 3d4k s THR 3 CO 0.55 0.44 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.11 3d4k s ILE 4 N 1.44 1.49 -0.09 1.82 -1.09 -1.26 -3.36 121.20 120.15 3d4k s ILE 4 Ca 0.06 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 3d4k s ILE 4 Cb -0.14 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.48 3d4k s ILE 4 CO -0.05 0.43 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.26 3d4k s VAL 5 N 0.01 1.29 0.19 2.92 1.01 -0.81 -0.05 120.40 124.96 3d4k s VAL 5 Ca -0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 3d4k s VAL 5 Cb -0.12 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3d4k s VAL 5 CO 0.02 0.40 0.44 0.00 0.00 0.00 0.00 175.10 175.96 3d4k s ALA 6 N 0.94 -0.56 -0.21 5.51 0.00 0.19 -0.62 121.76 127.02 3d4k s ALA 6 Ca -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3d4k s ALA 6 Cb -0.15 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.87 3d4k s ALA 6 CO 0.00 -0.76 -0.16 0.08 0.00 0.00 0.00 175.76 174.92 3d4k s VAL 7 N -3.92 2.15 -0.06 0.00 1.01 -0.43 -0.05 120.40 119.11 3d4k s VAL 7 Ca 0.13 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 3d4k s VAL 7 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3d4k s VAL 7 CO -0.01 0.35 0.05 -1.83 0.00 0.00 0.00 175.10 173.66 3d4k s GLU 8 N 1.24 3.06 -0.84 2.72 -1.05 0.50 -1.72 118.70 122.61 3d4k s GLU 8 Ca 0.01 -0.41 -0.01 0.00 -0.15 0.00 0.00 54.97 54.40 3d4k s GLU 8 Cb -0.15 -2.87 0.21 0.00 -0.44 0.00 0.00 34.13 30.88 3d4k s GLU 8 CO -0.10 0.69 0.71 -0.51 0.95 0.00 0.00 175.26 176.99 3d4k s LEU 9 N -1.26 5.46 -0.52 1.83 1.02 0.12 -0.98 118.68 124.34 3d4k s LEU 9 Ca 0.17 -3.59 -0.28 0.00 0.02 0.00 0.00 54.13 50.46 3d4k s LEU 9 Cb -0.12 -1.88 0.03 0.00 0.02 0.00 0.00 46.19 44.24 3d4k s LEU 9 CO 0.07 -0.21 1.11 -0.62 0.02 0.00 0.00 176.35 176.73 3d4k s ASP 10 N -0.09 6.52 0.25 2.29 -1.08 0.10 -1.85 116.67 122.81 3d4k s ASP 10 Ca 0.25 0.21 0.23 0.00 -0.52 0.00 0.00 52.55 52.72 3d4k s ASP 10 Cb -0.09 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 39.01 3d4k s ASP 10 CO -0.11 -1.32 1.26 0.71 0.52 0.00 0.00 175.17 176.24 3d4k h THR 11 N 6.17 0.00 -3.31 1.71 1.35 -1.72 -0.67 112.91 116.43 3d4k h THR 11 Ca -0.24 -0.90 -0.67 0.00 -0.55 0.00 0.00 66.41 64.05 3d4k h THR 11 Cb 1.06 1.57 -0.36 0.00 -1.73 0.00 0.00 68.15 68.69 3d4k h THR 11 CO 1.14 0.00 -0.84 -0.47 -0.25 0.00 0.00 175.52 175.10 3d4k s TYR 12 N -3.28 2.93 -0.08 4.73 6.14 -1.24 -4.56 117.35 121.99 3d4k s TYR 12 Ca 0.03 -1.85 -0.30 0.00 0.64 0.00 0.00 57.07 55.59 3d4k s TYR 12 Cb 0.09 -1.93 -0.04 0.00 0.42 0.00 0.00 41.96 40.51 3d4k s TYR 12 CO 0.74 -0.83 1.35 -1.25 0.64 0.00 0.00 175.55 176.20 3d4k s PRO 13 N 1.23 4.27 -0.83 4.97 0.04 -1.26 -4.94 135.00 138.48 3d4k s PRO 13 Ca 0.01 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.89 3d4k s PRO 13 Cb -0.15 -3.69 0.20 0.00 0.04 0.00 0.00 34.50 30.90 3d4k s PRO 13 CO -0.10 -0.63 0.69 0.09 0.04 0.00 0.00 177.00 177.09 3d4k n ASN 14 N 5.99 3.79 0.27 6.66 4.13 -1.26 -4.93 115.26 129.92 3d4k n ASN 14 Ca 0.13 -3.17 0.17 0.00 1.68 0.00 0.00 54.58 53.39 3d4k n ASN 14 Cb 0.44 -0.94 0.92 0.00 -1.54 0.00 0.00 39.78 38.67 3d4k n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3d4k h THR 15 N 4.14 0.43 0.00 3.41 1.35 -1.85 -1.45 112.91 118.93 3d4k h THR 15 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3d4k h THR 15 Cb 0.78 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3d4k h THR 15 CO 0.81 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.18 3d4k n ASP 16 N -3.71 0.67 -0.46 5.36 5.75 -1.26 -2.67 116.55 120.22 3d4k n ASP 16 Ca -0.01 0.66 0.07 0.00 -0.01 0.00 0.00 54.79 55.50 3d4k n ASP 16 Cb 0.17 -0.81 0.18 0.00 -1.03 0.00 0.00 41.12 39.64 3d4k n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3d4k n ILE 17 N -2.24 2.12 0.00 2.12 -5.35 -0.57 -4.98 119.36 110.46 3d4k n ILE 17 Ca 0.02 -2.64 0.00 0.00 -0.27 0.00 0.00 62.75 59.86 3d4k n ILE 17 Cb 0.23 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 3d4k n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d4k n GLY 18 N -1.20 1.00 3.76 3.28 0.00 -1.09 -4.70 105.19 106.24 3d4k n GLY 18 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3d4k n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d4k s ASP 19 N -1.96 5.57 0.86 1.61 1.01 -1.06 -4.96 116.67 117.74 3d4k s ASP 19 Ca 0.00 2.62 -0.12 0.00 0.71 0.00 0.00 52.55 55.76 3d4k s ASP 19 Cb 0.00 -2.63 0.11 0.00 1.01 0.00 0.00 42.92 41.41 3d4k s ASP 19 CO 0.00 -1.36 1.11 -2.16 0.21 0.00 0.00 175.17 172.97 3d4k s PRO 20 N -2.84 1.59 0.00 8.23 0.04 -1.26 -4.10 135.00 136.66 3d4k s PRO 20 Ca 0.69 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 3d4k s PRO 20 Cb -0.37 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 3d4k s PRO 20 CO 0.44 -1.94 2.22 0.45 0.04 0.00 0.00 177.00 178.20 3d4k n SER 21 N -3.63 4.62 -3.55 6.66 2.88 -1.26 -4.63 113.62 114.70 3d4k n SER 21 Ca 0.07 -2.27 -0.07 0.00 -1.33 0.00 0.00 58.87 55.27 3d4k n SER 21 Cb 0.57 -1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 62.94 3d4k n SER 21 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3d4k s TYR 22 N 0.59 -0.27 0.57 0.66 -0.85 -1.26 -5.01 117.35 111.78 3d4k s TYR 22 Ca 0.19 0.25 -0.20 0.00 -0.52 0.00 0.00 57.07 56.79 3d4k s TYR 22 Cb 0.09 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 42.88 3d4k s TYR 22 CO 0.00 -0.37 1.00 -2.30 -1.52 0.00 0.00 175.55 172.36 3d4k n PRO 23 N 0.04 1.03 -3.86 -3.49 -0.02 -1.26 -4.66 135.00 122.78 3d4k n PRO 23 Ca -0.06 0.39 -0.07 0.00 -2.02 0.00 0.00 63.50 61.74 3d4k n PRO 23 Cb 0.60 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3d4k n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3d4k s HIS 24 N -1.46 -0.13 0.04 6.00 -3.43 -0.26 -1.72 115.29 114.32 3d4k s HIS 24 Ca 0.73 -0.35 0.07 0.00 -0.80 0.00 0.00 55.06 54.71 3d4k s HIS 24 Cb -0.44 0.72 -0.03 0.00 -1.43 0.00 0.00 32.58 31.40 3d4k s HIS 24 CO 0.49 -1.28 -0.19 0.96 -2.00 0.00 0.00 174.74 172.72 3d4k s ILE 25 N -3.70 2.70 0.17 -5.38 -4.36 -0.72 -0.72 121.20 109.18 3d4k s ILE 25 Ca 0.12 -1.22 -0.13 0.00 -0.26 0.00 0.00 60.65 59.16 3d4k s ILE 25 Cb -0.06 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.54 3d4k s ILE 25 CO 0.08 0.34 0.38 -0.83 0.24 0.00 0.00 174.94 175.15 3d4k s GLY 26 N -1.42 0.21 -0.25 6.27 0.00 -0.15 -1.54 107.32 110.44 3d4k s GLY 26 Ca 0.14 -0.59 -0.06 0.00 0.00 0.00 0.00 44.72 44.22 3d4k s GLY 26 CO 0.05 -0.59 0.03 -0.42 0.00 0.00 0.00 173.10 172.17 3d4k s ILE 27 N -3.92 3.82 -0.21 0.90 1.01 -0.54 -0.37 121.20 121.88 3d4k s ILE 27 Ca 0.13 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 3d4k s ILE 27 Cb 0.02 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 3d4k s ILE 27 CO -0.02 0.29 0.02 -1.81 0.00 0.00 0.00 174.94 173.43 3d4k s ASP 28 N 1.52 4.97 -0.39 3.58 1.01 0.93 -0.85 116.67 127.45 3d4k s ASP 28 Ca 0.05 -0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.15 3d4k s ASP 28 Cb -0.15 -1.86 0.11 0.00 1.01 0.00 0.00 42.92 42.02 3d4k s ASP 28 CO 0.00 0.04 0.12 -0.63 0.21 0.00 0.00 175.17 174.92 3d4k s ILE 29 N 1.15 2.51 -1.82 0.77 -1.09 -1.26 -0.63 121.20 120.82 3d4k s ILE 29 Ca 0.03 -2.51 0.00 0.00 -2.23 0.00 0.00 60.65 55.94 3d4k s ILE 29 Cb -0.14 -2.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 3d4k s ILE 29 CO 0.02 -0.66 0.00 0.29 -1.23 0.00 0.00 174.94 173.36 3d4k n LYS 30 N 4.06 -1.64 -3.62 2.79 5.02 0.93 -4.94 118.16 120.77 3d4k n LYS 30 Ca 0.04 1.02 -0.10 0.00 -2.02 0.00 0.00 58.31 57.25 3d4k n LYS 30 Cb 0.40 -5.56 -0.06 0.00 -0.02 0.00 0.00 35.03 29.78 3d4k n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3d4k s SER 31 N -2.29 -0.46 0.28 4.39 0.15 -1.26 -4.96 113.70 109.55 3d4k s SER 31 Ca 0.00 0.79 0.25 0.00 0.70 0.00 0.00 55.95 57.69 3d4k s SER 31 Cb 0.00 0.76 0.96 0.00 -1.71 0.00 0.00 66.02 66.03 3d4k s SER 31 CO 0.00 -0.23 1.75 1.62 1.20 0.00 0.00 173.24 177.59 3d4k h VAL 32 N 3.34 0.00 -2.12 4.45 3.04 -1.84 -3.38 116.25 119.73 3d4k h VAL 32 Ca -0.26 -0.35 -0.63 0.00 -1.01 0.00 0.00 66.70 64.45 3d4k h VAL 32 Cb 1.17 1.19 -0.13 0.00 -2.01 0.00 0.00 31.29 31.51 3d4k h VAL 32 CO 0.17 0.00 0.96 -0.13 -1.01 0.00 0.00 177.57 177.56 3d4k s ARG 33 N -3.29 3.41 0.30 4.17 0.52 -1.26 -4.98 118.95 117.81 3d4k s ARG 33 Ca 0.06 -1.14 -0.26 0.00 -0.52 0.00 0.00 55.73 53.86 3d4k s ARG 33 Cb 0.10 -4.75 -0.15 0.00 0.52 0.00 0.00 34.95 30.67 3d4k s ARG 33 CO 0.47 -1.95 0.66 0.43 0.02 0.00 0.00 175.30 174.93 3d4k n SER 34 N 7.86 -0.41 0.19 0.23 7.64 -1.26 -4.82 113.62 123.06 3d4k n SER 34 Ca 0.16 1.07 0.10 0.00 1.01 0.00 0.00 58.87 61.21 3d4k n SER 34 Cb 0.49 -1.10 0.12 0.00 -1.01 0.00 0.00 64.21 62.71 3d4k n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3d4k h LYS 35 N 1.24 0.00 -2.12 1.43 1.79 -1.34 -3.45 116.57 114.11 3d4k h LYS 35 Ca -0.35 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.06 3d4k h LYS 35 Cb 1.40 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.83 3d4k h LYS 35 CO 0.56 0.12 0.07 0.21 -1.08 0.00 0.00 179.45 179.33 3d4k s LYS 36 N -3.16 0.78 0.22 3.15 2.47 -1.25 -5.02 119.74 116.93 3d4k s LYS 36 Ca 0.06 0.94 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 3d4k s LYS 36 Cb 0.06 0.37 -0.05 0.00 -1.46 0.00 0.00 37.83 36.75 3d4k s LYS 36 CO 0.70 -0.10 0.10 0.95 0.16 0.00 0.00 175.35 177.16 3d4k s THR 37 N 0.40 0.32 -0.15 3.43 -4.23 -1.26 -1.47 115.64 112.68 3d4k s THR 37 Ca -0.00 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.36 3d4k s THR 37 Cb -0.05 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.33 3d4k s THR 37 CO 0.00 -0.07 0.44 0.00 -0.54 0.00 0.00 174.62 174.45 3d4k s ALA 38 N -3.92 -1.09 0.19 3.99 0.00 -0.59 -4.98 121.76 115.36 3d4k s ALA 38 Ca 0.36 1.17 -0.33 0.00 0.00 0.00 0.00 51.96 53.17 3d4k s ALA 38 Cb 0.07 -0.64 -0.13 0.00 0.00 0.00 0.00 23.12 22.43 3d4k s ALA 38 CO 0.11 -0.22 1.67 1.17 0.00 0.00 0.00 175.76 178.49 3d4k n LYS 39 N 2.65 2.53 -4.17 0.00 4.81 -1.26 -1.76 118.16 120.96 3d4k n LYS 39 Ca -0.14 0.91 -0.30 0.00 -0.87 0.00 0.00 58.31 57.91 3d4k n LYS 39 Cb 0.57 -2.73 -0.16 0.00 0.02 0.00 0.00 35.03 32.72 3d4k n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 3d4k s TRP 40 N 1.06 2.15 -1.16 5.64 -0.00 -0.70 -4.76 118.94 121.17 3d4k s TRP 40 Ca 0.76 -1.16 -0.14 0.00 -0.00 0.00 0.00 56.10 55.57 3d4k s TRP 40 Cb -0.57 -1.57 0.17 0.00 -0.00 0.00 0.00 33.47 31.50 3d4k s TRP 40 CO 0.34 -0.62 1.36 -0.80 -0.00 0.00 0.00 176.95 177.23 3d4k s ASN 41 N 1.32 7.03 0.27 5.86 0.01 -1.26 -4.35 114.94 123.82 3d4k s ASN 41 Ca 0.01 -2.91 -0.29 0.00 -0.71 0.00 0.00 52.86 48.96 3d4k s ASN 41 Cb -0.13 -2.38 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 3d4k s ASN 41 CO -0.08 -0.75 1.33 -0.32 -1.51 0.00 0.00 177.10 175.77 3d4k s MET 42 N 1.49 4.35 -0.36 -0.60 -2.45 -1.26 -5.00 119.30 115.48 3d4k s MET 42 Ca 0.40 2.18 -0.04 0.00 -1.25 0.00 0.00 55.69 56.97 3d4k s MET 42 Cb -0.04 -3.12 0.07 0.00 1.25 0.00 0.00 34.83 32.99 3d4k s MET 42 CO -0.02 -0.25 0.12 -0.65 1.05 0.00 0.00 175.02 175.27 3d4k s GLN 43 N -0.90 2.38 -0.01 4.11 -0.21 -1.26 -5.07 119.66 118.70 3d4k s GLN 43 Ca 0.54 -1.43 -0.33 0.00 0.02 0.00 0.00 55.36 54.16 3d4k s GLN 43 Cb -0.39 -3.45 -0.11 0.00 1.00 0.00 0.00 33.01 30.05 3d4k s GLN 43 CO 0.45 -0.81 1.86 -1.71 -2.12 0.00 0.00 175.29 172.97 3d4k n ASN 44 N 4.71 3.65 0.00 5.90 2.85 -1.26 -1.94 115.26 129.17 3d4k n ASN 44 Ca -0.09 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.35 3d4k n ASN 44 Cb 0.43 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 40.02 3d4k n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3d4k n GLY 45 N 4.31 0.77 3.61 8.20 0.00 0.07 -4.97 105.19 117.18 3d4k n GLY 45 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3d4k n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4k s LYS 46 N -0.34 2.58 -0.21 1.61 -0.14 -0.82 -4.96 119.74 117.47 3d4k s LYS 46 Ca 0.00 -0.71 -0.29 0.00 -1.36 0.00 0.00 55.97 53.60 3d4k s LYS 46 Cb 0.00 -2.53 0.01 0.00 -1.68 0.00 0.00 37.83 33.63 3d4k s LYS 46 CO 0.00 0.60 1.04 0.08 -0.76 0.00 0.00 175.35 176.31 3d4k s VAL 47 N -1.03 4.68 0.47 3.17 1.01 -1.26 -4.24 120.40 123.21 3d4k s VAL 47 Ca 0.18 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.23 3d4k s VAL 47 Cb -0.11 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 3d4k s VAL 47 CO 0.08 -0.15 0.25 -0.83 0.00 0.00 0.00 175.10 174.45 3d4k s GLY 48 N 1.21 2.42 -0.01 4.51 0.00 0.22 -4.64 107.32 111.03 3d4k s GLY 48 Ca 0.45 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.62 3d4k s GLY 48 CO 0.08 -1.94 -0.11 -1.59 0.00 0.00 0.00 173.10 169.54 3d4k s THR 49 N -2.68 0.86 -0.05 0.90 2.01 -0.18 -1.31 115.64 115.18 3d4k s THR 49 Ca 0.35 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.92 3d4k s THR 49 Cb 0.01 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.80 3d4k s THR 49 CO 0.20 0.24 -0.17 0.00 -0.69 0.00 0.00 174.62 174.20 3d4k s ALA 50 N -0.26 1.52 -0.09 7.40 0.00 -0.30 -1.18 121.76 128.85 3d4k s ALA 50 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3d4k s ALA 50 Cb -0.04 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.55 3d4k s ALA 50 CO -0.00 0.25 -0.14 -1.58 0.00 0.00 0.00 175.76 174.29 3d4k s HIS 51 N 0.18 1.75 -0.03 0.00 2.46 0.14 -1.80 115.29 117.99 3d4k s HIS 51 Ca -0.07 -0.77 0.07 0.00 0.47 0.00 0.00 55.06 54.77 3d4k s HIS 51 Cb -0.13 -1.28 -0.02 0.00 -0.13 0.00 0.00 32.58 31.02 3d4k s HIS 51 CO 0.03 -0.41 -0.25 0.42 -2.47 0.00 0.00 174.74 172.06 3d4k s ILE 52 N 0.93 2.00 0.00 0.89 1.01 0.33 -0.92 121.20 125.44 3d4k s ILE 52 Ca -0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 3d4k s ILE 52 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3d4k s ILE 52 CO 0.00 0.56 0.06 0.27 0.00 0.00 0.00 174.94 175.83 3d4k s ILE 53 N -0.42 0.08 -0.14 2.92 -4.36 -0.16 -0.79 121.20 118.34 3d4k s ILE 53 Ca 0.04 -0.68 -0.18 0.00 -0.26 0.00 0.00 60.65 59.58 3d4k s ILE 53 Cb -0.11 -0.32 0.04 0.00 1.25 0.00 0.00 42.46 43.33 3d4k s ILE 53 CO 0.01 -0.37 0.46 -0.47 0.24 0.00 0.00 174.94 174.81 3d4k s TYR 54 N -1.21 -0.47 -0.10 1.37 6.14 -0.44 -1.55 117.35 121.10 3d4k s TYR 54 Ca -0.13 1.08 -0.09 0.00 0.64 0.00 0.00 57.07 58.57 3d4k s TYR 54 Cb -0.08 0.19 0.02 0.00 0.42 0.00 0.00 41.96 42.51 3d4k s TYR 54 CO 0.00 -0.31 0.26 0.54 0.64 0.00 0.00 175.55 176.68 3d4k s ASN 55 N -0.16 -0.27 0.00 4.32 2.20 -1.26 -1.33 114.94 118.45 3d4k s ASN 55 Ca -0.03 0.52 0.13 0.00 -0.94 0.00 0.00 52.86 52.54 3d4k s ASN 55 Cb -0.03 0.52 0.66 0.00 -2.00 0.00 0.00 41.25 40.40 3d4k s ASN 55 CO 0.02 -0.09 1.36 -1.54 -2.94 0.00 0.00 177.10 173.91 3d4k n SER 56 N 2.94 0.00 -0.02 3.54 3.41 0.16 -0.57 113.62 123.07 3d4k n SER 56 Ca -0.13 0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.48 3d4k n SER 56 Cb 0.58 -0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 64.08 3d4k n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3d4k h VAL 57 N 0.00 1.64 0.00 -3.33 2.07 -1.92 -3.35 116.25 111.36 3d4k h VAL 57 Ca 0.00 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.26 3d4k h VAL 57 Cb 0.14 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3d4k h VAL 57 CO 0.00 0.61 -1.54 0.47 0.02 0.00 0.00 177.57 177.13 3d4k n ASP 58 N -4.46 0.41 -3.62 0.57 8.00 -1.19 -4.98 116.55 111.28 3d4k n ASP 58 Ca -0.11 0.16 -0.23 0.00 0.71 0.00 0.00 54.79 55.32 3d4k n ASP 58 Cb 0.57 1.21 0.04 0.00 -0.02 0.00 0.00 41.12 42.92 3d4k n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3d4k n LYS 59 N -2.48 -3.33 -4.11 -1.24 5.02 0.27 -4.87 118.16 107.41 3d4k n LYS 59 Ca -0.03 0.61 -0.22 0.00 -2.02 0.00 0.00 58.31 56.65 3d4k n LYS 59 Cb 0.59 -4.96 -0.17 0.00 -0.02 0.00 0.00 35.03 30.47 3d4k n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3d4k s ARG 60 N -5.72 0.95 -0.29 1.97 3.52 -1.25 -1.55 118.95 116.57 3d4k s ARG 60 Ca 0.22 -0.11 -0.12 0.00 -0.13 0.00 0.00 55.73 55.58 3d4k s ARG 60 Cb -0.06 -1.00 -0.04 0.00 -1.56 0.00 0.00 34.95 32.29 3d4k s ARG 60 CO 0.82 -0.13 0.23 -1.17 -0.81 0.00 0.00 175.30 174.24 3d4k s LEU 61 N 1.16 4.12 0.14 -0.88 2.96 0.01 -4.06 118.68 122.14 3d4k s LEU 61 Ca -0.07 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3d4k s LEU 61 Cb -0.14 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3d4k s LEU 61 CO -0.01 -0.11 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.27 3d4k s SER 62 N 1.74 2.63 -0.04 3.68 0.01 -0.60 -0.81 113.70 120.30 3d4k s SER 62 Ca 0.08 -0.80 -0.09 0.00 1.31 0.00 0.00 55.95 56.44 3d4k s SER 62 Cb -0.16 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 65.93 3d4k s SER 62 CO 0.11 -0.01 0.22 0.00 0.41 0.00 0.00 173.24 173.98 3d4k s ALA 63 N -1.76 -0.55 -0.04 1.44 0.00 -0.05 -0.99 121.76 119.81 3d4k s ALA 63 Ca 0.13 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3d4k s ALA 63 Cb -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3d4k s ALA 63 CO 0.06 -0.18 -0.03 0.54 0.00 0.00 0.00 175.76 176.15 3d4k s VAL 64 N -0.67 0.41 -0.03 0.00 0.11 -0.10 -1.40 120.40 118.73 3d4k s VAL 64 Ca -0.08 -0.06 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 3d4k s VAL 64 Cb -0.04 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 3d4k s VAL 64 CO 0.02 0.19 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.11 3d4k s VAL 65 N 0.90 1.48 0.26 2.04 1.01 -0.09 -0.68 120.40 125.31 3d4k s VAL 65 Ca -0.11 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3d4k s VAL 65 Cb -0.14 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.02 3d4k s VAL 65 CO -0.00 0.42 0.72 -0.94 0.00 0.00 0.00 175.10 175.30 3d4k s SER 66 N -0.18 -0.29 0.09 3.32 1.04 -0.32 -0.97 113.70 116.40 3d4k s SER 66 Ca 0.01 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.00 3d4k s SER 66 Cb -0.10 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 3d4k s SER 66 CO 0.01 -1.27 -0.22 -0.31 0.98 0.00 0.00 173.24 172.43 3d4k s TYR 67 N -3.85 1.90 0.35 5.02 2.02 -1.26 -1.01 117.35 120.52 3d4k s TYR 67 Ca 0.10 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.12 3d4k s TYR 67 Cb -0.05 -1.06 -0.12 0.00 -0.40 0.00 0.00 41.96 40.32 3d4k s TYR 67 CO 0.04 0.20 1.29 -2.30 -1.57 0.00 0.00 175.55 173.21 3d4k n PRO 68 N 1.25 2.11 -3.63 -1.71 -0.02 -1.26 -2.82 135.00 128.93 3d4k n PRO 68 Ca -0.19 0.74 -0.21 0.00 -2.02 0.00 0.00 63.50 61.82 3d4k n PRO 68 Cb 0.53 -2.34 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 3d4k n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3d4k n ASN 69 N 0.70 -2.27 -3.47 2.55 5.03 -1.26 -5.00 115.26 111.54 3d4k n ASN 69 Ca 0.05 -0.73 -0.15 0.00 0.87 0.00 0.00 54.58 54.62 3d4k n ASN 69 Cb 0.36 -4.47 -0.04 0.00 -1.02 0.00 0.00 39.78 34.62 3d4k n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d4k s ALA 70 N -3.50 -1.68 0.45 5.41 0.00 -1.13 -5.15 121.76 116.16 3d4k s ALA 70 Ca 0.12 0.91 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 3d4k s ALA 70 Cb -0.06 0.43 -0.08 0.00 0.00 0.00 0.00 23.12 23.42 3d4k s ALA 70 CO 0.78 -0.56 1.20 -0.51 0.00 0.00 0.00 175.76 176.67 3d4k s ASP 71 N -1.95 6.18 0.45 0.00 1.01 -1.26 -4.64 116.67 116.46 3d4k s ASP 71 Ca -0.05 2.40 0.03 0.00 0.71 0.00 0.00 52.55 55.64 3d4k s ASP 71 Cb -0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.32 3d4k s ASP 71 CO -0.01 -0.91 0.64 -0.94 0.21 0.00 0.00 175.17 174.16 3d4k s SER 72 N -1.20 5.69 -0.07 0.27 1.04 -1.26 -4.70 113.70 113.47 3d4k s SER 72 Ca 0.62 0.02 0.03 0.00 0.48 0.00 0.00 55.95 57.10 3d4k s SER 72 Cb -0.31 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.60 3d4k s SER 72 CO 0.38 -0.77 -0.15 0.00 0.98 0.00 0.00 173.24 173.68 3d4k s ALA 73 N -2.50 2.58 0.03 5.32 0.00 -0.14 -4.97 121.76 122.08 3d4k s ALA 73 Ca 0.51 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3d4k s ALA 73 Cb -0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3d4k s ALA 73 CO 0.36 0.46 -0.09 0.99 0.00 0.00 0.00 175.76 177.48 3d4k s THR 74 N -0.38 0.68 -0.05 0.00 2.01 -1.26 -0.91 115.64 115.73 3d4k s THR 74 Ca 0.04 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 3d4k s THR 74 Cb -0.12 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.74 3d4k s THR 74 CO 0.02 -0.15 0.13 0.54 -0.69 0.00 0.00 174.62 174.47 3d4k s VAL 75 N -0.92 -0.02 0.01 3.82 0.11 -0.49 -4.75 120.40 118.16 3d4k s VAL 75 Ca -0.04 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 3d4k s VAL 75 Cb -0.07 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 3d4k s VAL 75 CO 0.01 0.02 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.30 3d4k s SER 76 N 0.42 0.67 -0.09 3.54 0.01 -1.26 -0.87 113.70 116.12 3d4k s SER 76 Ca -0.03 -0.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 3d4k s SER 76 Cb -0.04 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.19 3d4k s SER 76 CO -0.02 -0.04 0.22 -0.47 0.41 0.00 0.00 173.24 173.34 3d4k s TYR 77 N -0.59 -0.27 -0.06 2.43 5.04 0.01 -4.97 117.35 118.94 3d4k s TYR 77 Ca -0.03 0.65 -0.30 0.00 -2.44 0.00 0.00 57.07 54.96 3d4k s TYR 77 Cb -0.05 0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.29 3d4k s TYR 77 CO 0.00 -0.16 1.13 -0.51 -1.34 0.00 0.00 175.55 174.67 3d4k s ASP 78 N 0.65 7.13 -0.28 4.32 1.11 -1.26 -0.81 116.67 127.53 3d4k s ASP 78 Ca -0.04 1.74 -0.22 0.00 0.18 0.00 0.00 52.55 54.20 3d4k s ASP 78 Cb -0.06 -2.56 0.10 0.00 1.07 0.00 0.00 42.92 41.47 3d4k s ASP 78 CO -0.04 -0.52 0.83 0.54 1.18 0.00 0.00 175.17 177.17 3d4k s VAL 79 N 2.02 0.00 -0.65 -1.27 0.11 -0.60 -4.95 120.40 115.06 3d4k s VAL 79 Ca 0.54 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.43 3d4k s VAL 79 Cb -0.23 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.78 3d4k s VAL 79 CO 0.21 0.00 0.62 -0.62 -3.33 0.00 0.00 175.10 171.98 3d4k s ASP 80 N 0.71 6.39 0.64 3.54 -1.08 -1.26 -4.27 116.67 121.33 3d4k s ASP 80 Ca -0.02 -2.07 0.33 0.00 -0.52 0.00 0.00 52.55 50.27 3d4k s ASP 80 Cb -0.05 -2.22 1.80 0.00 -1.46 0.00 0.00 42.92 40.99 3d4k s ASP 80 CO -0.07 -0.79 2.06 -0.07 0.52 0.00 0.00 175.17 176.82 3d4k h LEU 81 N 8.64 0.00 -1.91 -1.34 3.38 -1.98 -0.41 115.31 121.69 3d4k h LEU 81 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3d4k h LEU 81 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3d4k h LEU 81 CO 0.95 0.00 -0.10 0.44 0.09 0.00 0.00 178.44 179.82 3d4k h ASP 82 N 0.00 0.00 -0.23 -0.43 5.19 -1.91 -1.00 116.42 118.04 3d4k h ASP 82 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3d4k h ASP 82 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3d4k h ASP 82 CO -0.00 0.10 0.00 0.59 -3.12 0.00 0.00 179.24 176.81 3d4k n ASN 83 N -3.50 3.05 -0.01 6.45 5.03 -0.16 -4.63 115.26 121.48 3d4k n ASN 83 Ca -0.01 -1.91 -0.02 0.00 0.87 0.00 0.00 54.58 53.51 3d4k n ASN 83 Cb 0.24 -0.14 -0.01 0.00 -1.02 0.00 0.00 39.78 38.86 3d4k n ASN 83 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3d4k n VAL 84 N 1.24 0.10 -3.98 2.41 0.31 -0.85 -5.08 118.33 112.48 3d4k n VAL 84 Ca 0.15 -0.03 -0.23 0.00 -0.01 0.00 0.00 64.34 64.22 3d4k n VAL 84 Cb 0.54 -1.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 3d4k n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3d4k s LEU 85 N -5.78 4.26 0.89 7.52 1.43 -0.44 -4.96 118.68 121.60 3d4k s LEU 85 Ca -0.03 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 3d4k s LEU 85 Cb 0.01 -2.81 0.13 0.00 0.03 0.00 0.00 46.19 43.54 3d4k s LEU 85 CO 0.04 -0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.54 3d4k s PRO 86 N -3.66 1.31 0.22 1.29 0.04 -1.26 -4.77 135.00 128.17 3d4k s PRO 86 Ca 0.34 0.60 -0.08 0.00 0.04 0.00 0.00 61.00 61.89 3d4k s PRO 86 Cb -0.10 -1.83 0.25 0.00 0.04 0.00 0.00 34.50 32.86 3d4k s PRO 86 CO 0.28 -2.15 1.83 1.49 0.04 0.00 0.00 177.00 178.49 3d4k h GLU 87 N -1.47 0.77 -5.89 4.56 4.81 -1.95 -3.41 114.58 112.00 3d4k h GLU 87 Ca -0.50 -0.05 -0.67 0.00 -0.13 0.00 0.00 59.36 58.01 3d4k h GLU 87 Cb 1.30 -0.17 -0.18 0.00 0.63 0.00 0.00 28.75 30.32 3d4k h GLU 87 CO 0.58 0.51 -0.66 -1.58 -0.73 0.00 0.00 179.01 177.13 3d4k s TRP 88 N -6.09 3.03 0.28 0.92 0.52 -1.26 -2.32 118.94 114.02 3d4k s TRP 88 Ca -0.13 -0.00 0.03 0.00 0.02 0.00 0.00 56.10 56.02 3d4k s TRP 88 Cb 0.16 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 3d4k s TRP 88 CO 0.77 0.29 0.31 1.33 0.02 0.00 0.00 176.95 179.66 3d4k n VAL 89 N 2.52 0.00 -4.21 4.03 0.24 -0.13 -4.28 118.33 116.50 3d4k n VAL 89 Ca -0.18 -1.82 -0.19 0.00 -2.04 0.00 0.00 64.34 60.11 3d4k n VAL 89 Cb 0.53 0.98 -0.12 0.00 -1.47 0.00 0.00 33.84 33.76 3d4k n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3d4k s ARG 90 N -2.95 0.86 0.17 7.34 0.52 -0.64 0.11 118.95 124.36 3d4k s ARG 90 Ca 0.30 -0.93 0.10 0.00 -0.52 0.00 0.00 55.73 54.67 3d4k s ARG 90 Cb 0.01 -0.88 -0.04 0.00 0.52 0.00 0.00 34.95 34.55 3d4k s ARG 90 CO 0.21 0.20 -0.16 0.14 0.02 0.00 0.00 175.30 175.71 3d4k s VAL 91 N -1.19 2.86 0.07 3.52 -7.23 -1.26 -1.72 120.40 115.45 3d4k s VAL 91 Ca -0.01 -1.74 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 3d4k s VAL 91 Cb -0.10 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.49 3d4k s VAL 91 CO 0.02 -0.07 0.42 0.61 -0.31 0.00 0.00 175.10 175.78 3d4k n GLY 92 N 0.27 1.01 3.20 2.32 0.00 -0.35 -1.30 105.19 110.34 3d4k n GLY 92 Ca -0.12 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 3d4k n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4k s LEU 93 N 0.00 2.10 0.10 0.99 1.43 -0.24 -0.63 118.68 122.43 3d4k s LEU 93 Ca 0.09 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3d4k s LEU 93 Cb -0.01 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 3d4k s LEU 93 CO 0.02 0.18 -0.07 -0.55 0.23 0.00 0.00 176.35 176.16 3d4k s SER 94 N -0.77 1.18 0.05 2.29 0.15 0.47 -1.18 113.70 115.90 3d4k s SER 94 Ca 0.07 -0.96 -0.27 0.00 0.70 0.00 0.00 55.95 55.49 3d4k s SER 94 Cb -0.08 0.08 0.09 0.00 -1.71 0.00 0.00 66.02 64.40 3d4k s SER 94 CO 0.00 -0.43 0.75 0.00 1.20 0.00 0.00 173.24 174.77 3d4k s ALA 95 N -3.37 -1.73 0.29 5.45 0.00 -0.89 -0.47 121.76 121.04 3d4k s ALA 95 Ca 0.10 0.86 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 3d4k s ALA 95 Cb 0.03 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.67 3d4k s ALA 95 CO -0.04 -0.67 0.63 -1.54 0.00 0.00 0.00 175.76 174.15 3d4k s SER 96 N -2.38 -0.09 0.08 0.00 1.04 -1.09 -2.25 113.70 109.02 3d4k s SER 96 Ca 0.01 -0.85 -0.07 0.00 0.48 0.00 0.00 55.95 55.52 3d4k s SER 96 Cb -0.01 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 3d4k s SER 96 CO -0.08 -1.32 0.15 0.42 0.98 0.00 0.00 173.24 173.38 3d4k s THR 97 N -3.67 0.15 0.00 2.02 -4.23 -0.37 -0.64 115.64 108.91 3d4k s THR 97 Ca 0.17 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3d4k s THR 97 Cb -0.04 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.46 3d4k s THR 97 CO 0.09 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 3d4k n GLY 98 N 0.02 2.99 0.21 3.99 0.00 -1.26 -1.23 105.19 109.91 3d4k n GLY 98 Ca -0.15 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 3d4k n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d4k h LEU 99 N 0.00 0.86-10.11 0.99 5.85 -1.97 0.31 115.31 111.25 3d4k h LEU 99 Ca 0.00 -0.60 -0.51 0.00 0.84 0.00 0.00 57.88 57.61 3d4k h LEU 99 Cb 0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3d4k h LEU 99 CO 0.00 1.32 -0.39 -0.31 -0.34 0.00 0.00 178.44 178.72 3d4k s TYR 100 N -3.85 3.48 0.36 1.25 2.02 -1.26 -4.85 117.35 114.49 3d4k s TYR 100 Ca -0.11 0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.81 3d4k s TYR 100 Cb 0.08 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3d4k s TYR 100 CO 0.88 0.42 0.19 -1.59 -1.57 0.00 0.00 175.55 173.88 3d4k s LYS 101 N -3.56 1.79 -0.12 -0.62 0.00 -1.25 -4.34 119.74 111.63 3d4k s LYS 101 Ca 0.36 -2.06 -0.32 0.00 0.00 0.00 0.00 55.97 53.95 3d4k s LYS 101 Cb -0.10 -0.13 0.13 0.00 0.00 0.00 0.00 37.83 37.73 3d4k s LYS 101 CO 0.30 -0.54 1.07 -1.83 0.00 0.00 0.00 175.35 174.34 3d4k s GLU 102 N -3.63 0.52 0.25 1.78 -1.05 -1.10 -3.36 118.70 112.11 3d4k s GLU 102 Ca 0.33 -0.16 -0.22 0.00 -0.15 0.00 0.00 54.97 54.77 3d4k s GLU 102 Cb 0.03 0.24 -0.09 0.00 -0.44 0.00 0.00 34.13 33.87 3d4k s GLU 102 CO 0.20 -0.22 0.79 0.95 0.95 0.00 0.00 175.26 177.93 3d4k s THR 103 N -2.55 4.47 -0.55 1.83 -4.23 0.48 -4.78 115.64 110.29 3d4k s THR 103 Ca 0.07 1.44 0.07 0.00 -1.18 0.00 0.00 61.69 62.09 3d4k s THR 103 Cb -0.01 -3.90 0.29 0.00 1.34 0.00 0.00 72.50 70.22 3d4k s THR 103 CO -0.06 0.19 0.79 0.59 -0.54 0.00 0.00 174.62 175.60 3d4k n ASN 104 N 0.69 3.23 -4.71 3.99 4.13 -1.26 -3.58 115.26 117.75 3d4k n ASN 104 Ca -0.01 -3.39 -0.41 0.00 1.68 0.00 0.00 54.58 52.45 3d4k n ASN 104 Cb 0.51 -0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 38.09 3d4k n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3d4k s THR 105 N -3.04 4.98 -0.22 3.41 2.01 -1.16 -1.94 115.64 119.67 3d4k s THR 105 Ca 0.43 1.66 -0.05 0.00 0.31 0.00 0.00 61.69 64.04 3d4k s THR 105 Cb 0.22 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3d4k s THR 105 CO -0.08 0.21 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.42 3d4k s ILE 106 N 0.94 3.69 -0.15 1.82 -1.09 0.74 -0.93 121.20 126.22 3d4k s ILE 106 Ca 0.42 -0.39 0.21 0.00 -2.23 0.00 0.00 60.65 58.66 3d4k s ILE 106 Cb -0.19 -2.68 -0.14 0.00 -1.58 0.00 0.00 42.46 37.87 3d4k s ILE 106 CO 0.21 0.41 0.79 0.18 -1.23 0.00 0.00 174.94 175.30 3d4k n LEU 107 N 4.63 0.56 -3.52 2.97 4.77 -0.50 -1.41 117.00 124.52 3d4k n LEU 107 Ca -0.18 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3d4k n LEU 107 Cb 0.51 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3d4k n LEU 107 CO 0.30 -0.03 0.61 -0.94 -1.33 0.00 0.00 177.39 176.00 3d4k s SER 108 N -5.21 -0.47 -0.26 -1.43 1.04 -1.23 -4.49 113.70 101.66 3d4k s SER 108 Ca -0.04 0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.54 3d4k s SER 108 Cb 0.10 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.74 3d4k s SER 108 CO 0.83 -0.59 0.61 0.86 0.98 0.00 0.00 173.24 175.93 3d4k s TRP 109 N -2.19 -0.99 0.09 5.02 -0.00 -0.08 -1.79 118.94 119.00 3d4k s TRP 109 Ca -0.01 1.96 0.03 0.00 -0.00 0.00 0.00 56.10 58.08 3d4k s TRP 109 Cb -0.01 0.57 -0.03 0.00 -0.00 0.00 0.00 33.47 34.00 3d4k s TRP 109 CO -0.02 -0.50 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.79 3d4k s SER 110 N 1.78 1.34 -0.12 5.86 1.04 0.52 -0.54 113.70 123.58 3d4k s SER 110 Ca -0.09 -0.78 -0.18 0.00 0.48 0.00 0.00 55.95 55.38 3d4k s SER 110 Cb -0.07 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.11 3d4k s SER 110 CO -0.18 -0.26 0.46 0.12 0.98 0.00 0.00 173.24 174.36 3d4k s PHE 111 N -2.32 -0.46 -0.06 5.02 2.19 -0.48 -1.21 117.98 120.67 3d4k s PHE 111 Ca 0.03 1.00 -0.03 0.00 0.33 0.00 0.00 56.93 58.26 3d4k s PHE 111 Cb -0.04 0.19 0.03 0.00 -1.31 0.00 0.00 43.02 41.89 3d4k s PHE 111 CO -0.00 -0.34 0.14 0.99 1.83 0.00 0.00 175.22 177.84 3d4k s THR 112 N -0.35 -0.03 -0.01 0.12 2.01 -0.49 -1.46 115.64 115.43 3d4k s THR 112 Ca -0.05 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.09 3d4k s THR 112 Cb -0.03 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 3d4k s THR 112 CO 0.03 0.05 -0.07 -0.94 -0.69 0.00 0.00 174.62 173.00 3d4k s SER 113 N 0.82 0.81 0.01 3.53 1.04 -0.08 -1.05 113.70 118.78 3d4k s SER 113 Ca -0.06 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3d4k s SER 113 Cb -0.08 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 3d4k s SER 113 CO -0.04 0.08 -0.06 -0.54 0.98 0.00 0.00 173.24 173.66 3d4k s LYS 114 N -0.12 0.49 -0.08 4.02 1.02 0.21 -1.31 119.74 123.98 3d4k s LYS 114 Ca 0.02 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.68 3d4k s LYS 114 Cb -0.03 -0.43 0.03 0.00 -0.52 0.00 0.00 37.83 36.87 3d4k s LYS 114 CO -0.00 0.11 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.00 3d4k s LEU 115 N -0.44 0.88 -0.21 3.17 1.43 0.16 -1.65 118.68 122.03 3d4k s LEU 115 Ca -0.00 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3d4k s LEU 115 Cb -0.04 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 3d4k s LEU 115 CO -0.00 -0.15 0.03 -0.75 0.23 0.00 0.00 176.35 175.71 3d4k s LYS 116 N 1.69 3.71 0.53 1.70 2.20 0.11 0.07 119.74 129.76 3d4k s LYS 116 Ca 0.02 -0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 54.94 3d4k s LYS 116 Cb -0.13 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 3d4k s LYS 116 CO -0.05 0.03 1.30 0.45 -0.36 0.00 0.00 175.35 176.72 3d4k s SER 117 N 0.98 5.46 0.19 1.43 0.15 0.14 0.15 113.70 122.20 3d4k s SER 117 Ca 0.03 2.62 0.22 0.00 0.70 0.00 0.00 55.95 59.52 3d4k s SER 117 Cb -0.14 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.53 3d4k s SER 117 CO 0.02 -1.43 1.02 -3.20 1.20 0.00 0.00 173.24 170.86 3d4k n ASN 118 N -0.96 0.83 -0.01 5.45 5.15 0.10 -1.53 115.26 124.29 3d4k n ASN 118 Ca 0.10 0.32 0.05 0.00 -0.60 0.00 0.00 54.58 54.45 3d4k n ASN 118 Cb 0.46 0.48 -0.13 0.00 -0.53 0.00 0.00 39.78 40.07 3d4k n ASN 118 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3d4k n SER 119 N -2.67 0.25 0.00 1.20 3.41 -1.26 -4.55 113.62 110.00 3d4k n SER 119 Ca -0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3d4k n SER 119 Cb 0.56 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 3d4k n SER 119 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3d4k n THR 120 N -2.52 0.00 -1.73 6.66 -2.24 -1.26 -5.00 114.28 108.19 3d4k n THR 120 Ca -0.10 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 3d4k n THR 120 Cb 0.73 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 3d4k n THR 120 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3d4k n HIS 121 N -1.02 -0.21 -3.58 4.78 8.25 -0.58 -4.97 115.22 117.89 3d4k n HIS 121 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 3d4k n HIS 121 Cb 0.00 -3.24 -0.05 0.00 1.12 0.00 0.00 29.99 27.82 3d4k n HIS 121 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3d4k s GLU 122 N -3.88 3.69 0.10 -0.41 0.41 -1.26 -4.69 118.70 112.66 3d4k s GLU 122 Ca 0.00 0.05 0.09 0.00 -0.41 0.00 0.00 54.97 54.70 3d4k s GLU 122 Cb 0.00 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 3d4k s GLU 122 CO 0.00 0.42 -0.19 -0.08 -0.49 0.00 0.00 175.26 174.92 3d4k s THR 123 N -1.70 2.76 -0.05 3.63 -1.32 -1.26 0.26 115.64 117.95 3d4k s THR 123 Ca 0.43 -1.46 0.01 0.00 -1.21 0.00 0.00 61.69 59.46 3d4k s THR 123 Cb -0.12 -2.23 -0.03 0.00 -1.51 0.00 0.00 72.50 68.61 3d4k s THR 123 CO 0.23 0.15 -0.05 0.20 -2.21 0.00 0.00 174.62 172.94 3d4k s ASN 124 N -1.97 4.78 0.07 8.08 -0.87 0.11 -4.94 114.94 120.20 3d4k s ASN 124 Ca 0.17 -0.02 -0.09 0.00 -1.57 0.00 0.00 52.86 51.35 3d4k s ASN 124 Cb -0.10 -1.22 -0.00 0.00 -0.02 0.00 0.00 41.25 39.91 3d4k s ASN 124 CO 0.08 0.34 0.19 0.00 -2.57 0.00 0.00 177.10 175.15 3d4k s ALA 125 N -0.88 -0.27 -0.04 0.60 0.00 -1.26 -0.67 121.76 119.24 3d4k s ALA 125 Ca 0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 3d4k s ALA 125 Cb -0.11 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.44 3d4k s ALA 125 CO 0.03 -0.46 0.09 -1.17 0.00 0.00 0.00 175.76 174.26 3d4k s LEU 126 N -2.59 1.24 -0.09 0.00 2.96 -0.43 -5.00 118.68 114.77 3d4k s LEU 126 Ca 0.01 0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 3d4k s LEU 126 Cb 0.03 0.23 0.03 0.00 0.50 0.00 0.00 46.19 46.98 3d4k s LEU 126 CO -0.09 -0.09 0.23 -2.28 -1.32 0.00 0.00 176.35 172.80 3d4k s HIS 127 N 0.64 -0.27 -0.02 5.38 5.65 -1.26 -0.90 115.29 124.52 3d4k s HIS 127 Ca -0.05 0.65 -0.07 0.00 0.25 0.00 0.00 55.06 55.84 3d4k s HIS 127 Cb -0.07 0.07 0.01 0.00 -1.18 0.00 0.00 32.58 31.41 3d4k s HIS 127 CO -0.03 -0.15 0.15 -0.59 -0.65 0.00 0.00 174.74 173.47 3d4k s PHE 128 N 0.40 -0.02 -0.05 3.88 -0.12 -0.53 -5.00 117.98 116.53 3d4k s PHE 128 Ca -0.02 0.03 -0.02 0.00 -0.05 0.00 0.00 56.93 56.87 3d4k s PHE 128 Cb -0.04 -0.02 0.04 0.00 -0.63 0.00 0.00 43.02 42.37 3d4k s PHE 128 CO -0.02 -0.23 0.10 1.41 -0.05 0.00 0.00 175.22 176.43 3d4k s MET 129 N -0.97 0.01 -0.22 1.99 1.75 -1.26 -1.38 119.30 119.22 3d4k s MET 129 Ca -0.11 0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.72 3d4k s MET 129 Cb -0.06 -0.30 0.03 0.00 2.84 0.00 0.00 34.83 37.35 3d4k s MET 129 CO 0.01 -0.24 -0.13 -0.06 -0.65 0.00 0.00 175.02 173.95 3d4k s PHE 130 N 1.67 2.99 -0.27 4.11 0.08 0.30 -4.92 117.98 121.93 3d4k s PHE 130 Ca -0.03 -1.75 0.06 0.00 0.12 0.00 0.00 56.93 55.34 3d4k s PHE 130 Cb -0.12 -1.97 -0.07 0.00 -0.57 0.00 0.00 43.02 40.29 3d4k s PHE 130 CO -0.05 -0.79 0.25 0.09 -0.10 0.00 0.00 175.22 174.63 3d4k n ASN 131 N 4.60 0.53 -3.74 1.36 3.02 -1.26 -0.90 115.26 118.86 3d4k n ASN 131 Ca -0.18 -0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 53.65 3d4k n ASN 131 Cb 0.47 1.02 -0.13 0.00 -0.61 0.00 0.00 39.78 40.53 3d4k n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3d4k s GLN 132 N -1.65 0.20 -0.14 3.52 0.74 -1.26 -4.75 119.66 116.32 3d4k s GLN 132 Ca 0.02 0.47 -0.03 0.00 0.05 0.00 0.00 55.36 55.87 3d4k s GLN 132 Cb 0.05 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.04 3d4k s GLN 132 CO 0.25 -0.14 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.74 3d4k s PHE 133 N 1.07 3.00 0.24 1.67 0.08 0.98 -5.01 117.98 120.00 3d4k s PHE 133 Ca -0.08 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.73 3d4k s PHE 133 Cb -0.09 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 3d4k s PHE 133 CO -0.07 0.01 0.39 -1.54 -0.10 0.00 0.00 175.22 173.91 3d4k s SER 134 N 0.18 6.33 0.52 1.36 1.04 -1.26 -3.66 113.70 118.21 3d4k s SER 134 Ca -0.02 0.21 0.29 0.00 0.48 0.00 0.00 55.95 56.90 3d4k s SER 134 Cb -0.14 -1.92 1.42 0.00 0.10 0.00 0.00 66.02 65.48 3d4k s SER 134 CO 0.03 -0.09 1.90 0.07 0.98 0.00 0.00 173.24 176.13 3d4k h LYS 135 N 1.39 0.05 -2.23 4.02 -0.00 -1.84 -2.99 116.57 114.97 3d4k h LYS 135 Ca -0.50 -0.00 -0.59 0.00 -0.00 0.00 0.00 60.65 59.56 3d4k h LYS 135 Cb 1.22 -0.01 -0.40 0.00 -0.00 0.00 0.00 32.23 33.03 3d4k h LYS 135 CO 0.63 0.03 -0.83 -3.47 -0.00 0.00 0.00 179.45 175.82 3d4k n ASP 136 N -4.31 1.85 -4.55 7.07 2.03 -1.26 -4.74 116.55 112.63 3d4k n ASP 136 Ca 0.18 -3.02 -0.41 0.00 0.52 0.00 0.00 54.79 52.06 3d4k n ASP 136 Cb 0.89 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 3d4k n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3d4k s GLN 137 N -1.61 3.55 0.51 -0.67 2.00 -1.13 -4.88 119.66 117.44 3d4k s GLN 137 Ca 0.36 -1.08 0.34 0.00 -2.00 0.00 0.00 55.36 52.98 3d4k s GLN 137 Cb 0.13 -5.23 1.78 0.00 0.80 0.00 0.00 33.01 30.49 3d4k s GLN 137 CO -0.09 -2.18 2.04 0.87 -0.50 0.00 0.00 175.29 175.44 3d4k h LYS 138 N 9.76 0.00 -0.64 1.67 1.57 -1.96 -2.20 116.57 124.76 3d4k h LYS 138 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3d4k h LYS 138 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3d4k h LYS 138 CO 1.40 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.88 3d4k n ASP 139 N -2.75 4.02 -4.09 0.86 5.68 -1.26 -4.85 116.55 114.16 3d4k n ASP 139 Ca -0.02 -2.46 -0.21 0.00 -0.50 0.00 0.00 54.79 51.60 3d4k n ASP 139 Cb 0.10 -0.55 -0.15 0.00 -1.14 0.00 0.00 41.12 39.38 3d4k n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3d4k s LEU 140 N -1.70 2.04 -0.35 -2.12 1.43 -0.83 -1.37 118.68 115.78 3d4k s LEU 140 Ca 0.40 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3d4k s LEU 140 Cb 0.27 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 45.88 3d4k s LEU 140 CO 0.17 0.14 0.14 -0.63 0.23 0.00 0.00 176.35 176.40 3d4k s ILE 141 N -0.36 4.05 -0.06 -0.59 1.01 0.28 -4.87 121.20 120.67 3d4k s ILE 141 Ca 0.05 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 3d4k s ILE 141 Cb -0.05 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 3d4k s ILE 141 CO -0.00 -0.19 0.45 -0.76 0.00 0.00 0.00 174.94 174.43 3d4k s LEU 142 N 1.46 4.38 0.10 2.97 1.43 -1.26 -1.09 118.68 126.67 3d4k s LEU 142 Ca -0.00 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.06 3d4k s LEU 142 Cb -0.19 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 3d4k s LEU 142 CO 0.04 0.16 -0.18 -1.10 0.23 0.00 0.00 176.35 175.51 3d4k s GLN 143 N -0.23 1.04 6.75 1.70 -0.21 -0.11 -4.98 119.66 123.61 3d4k s GLN 143 Ca 0.25 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.48 3d4k s GLN 143 Cb -0.16 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.70 3d4k s GLN 143 CO 0.12 0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 3d4k n GLY 144 N 0.97 2.66 0.34 3.09 0.00 -1.26 -1.72 105.19 109.28 3d4k n GLY 144 Ca -0.19 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.59 3d4k n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d4k n ASP 145 N 4.00 1.02 -4.76 1.61 8.00 0.25 -4.94 116.55 121.72 3d4k n ASP 145 Ca 0.00 -1.62 -0.41 0.00 0.71 0.00 0.00 54.79 53.47 3d4k n ASP 145 Cb 0.00 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 3d4k n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d4k s ALA 146 N -1.87 3.56 0.06 2.24 0.00 -1.13 -4.23 121.76 120.40 3d4k s ALA 146 Ca 0.30 1.36 -0.06 0.00 0.00 0.00 0.00 51.96 53.56 3d4k s ALA 146 Cb 0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3d4k s ALA 146 CO 0.24 -0.78 0.10 0.95 0.00 0.00 0.00 175.76 176.27 3d4k s THR 147 N -0.81 0.16 0.15 0.00 -4.23 -0.38 -4.73 115.64 105.80 3d4k s THR 147 Ca 0.53 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 3d4k s THR 147 Cb -0.42 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 3d4k s THR 147 CO 0.53 -0.72 -0.01 0.42 -0.54 0.00 0.00 174.62 174.29 3d4k s THR 148 N -3.41 0.68 0.00 3.99 -4.23 -1.26 -0.38 115.64 111.02 3d4k s THR 148 Ca 0.02 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3d4k s THR 148 Cb 0.03 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.86 3d4k s THR 148 CO -0.08 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 3d4k n GLY 149 N -0.19 3.18 3.60 3.99 0.00 -1.06 -4.21 105.19 110.49 3d4k n GLY 149 Ca -0.08 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 3d4k n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4k s THR 150 N -0.12 3.26 -1.94 2.61 2.01 -1.26 -2.11 115.64 118.08 3d4k s THR 150 Ca 0.00 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.26 3d4k s THR 150 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3d4k s THR 150 CO 0.00 -0.22 0.00 0.47 -0.69 0.00 0.00 174.62 174.18 3d4k n ASP 151 N 10.96 -5.59 -0.85 3.53 8.00 -1.26 -1.56 116.55 129.78 3d4k n ASP 151 Ca 0.26 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.90 3d4k n ASP 151 Cb 0.46 -4.75 -0.05 0.00 -0.02 0.00 0.00 41.12 36.77 3d4k n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4k n GLY 152 N -0.75 1.22 3.84 0.44 0.00 -0.90 -4.94 105.19 104.10 3d4k n GLY 152 Ca -0.22 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 3d4k n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d4k s ASN 153 N -2.77 4.88 -0.25 1.61 0.01 -0.60 -0.01 114.94 117.81 3d4k s ASN 153 Ca 0.00 -0.83 -0.04 0.00 -0.71 0.00 0.00 52.86 51.28 3d4k s ASN 153 Cb 0.00 -0.56 0.00 0.00 0.41 0.00 0.00 41.25 41.11 3d4k s ASN 153 CO 0.00 -0.61 -0.01 -0.22 -1.51 0.00 0.00 177.10 174.75 3d4k s LEU 154 N -4.06 3.27 -0.44 0.60 2.96 -0.50 -2.58 118.68 117.94 3d4k s LEU 154 Ca 0.46 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.64 3d4k s LEU 154 Cb -0.01 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.97 3d4k s LEU 154 CO 0.26 -0.10 0.32 -1.61 -1.32 0.00 0.00 176.35 173.91 3d4k s GLU 155 N 1.45 2.86 0.28 1.98 0.41 0.49 -0.19 118.70 125.99 3d4k s GLU 155 Ca 0.03 -1.29 0.02 0.00 -0.41 0.00 0.00 54.97 53.32 3d4k s GLU 155 Cb -0.16 -3.96 0.42 0.00 -1.78 0.00 0.00 34.13 28.65 3d4k s GLU 155 CO -0.02 -0.92 1.74 -0.07 -0.49 0.00 0.00 175.26 175.50 3d4k h LEU 156 N 8.60 0.49 -9.18 1.80 3.38 -1.65 -1.01 115.31 117.75 3d4k h LEU 156 Ca -0.26 -0.16 -0.62 0.00 0.09 0.00 0.00 57.88 56.93 3d4k h LEU 156 Cb 1.10 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 3d4k h LEU 156 CO 0.80 0.72 -0.77 0.42 0.09 0.00 0.00 178.44 179.69 3d4k s THR 157 N -4.55 2.50 0.25 0.22 -4.23 -1.26 -2.92 115.64 105.64 3d4k s THR 157 Ca -0.07 -2.27 -0.31 0.00 -1.18 0.00 0.00 61.69 57.86 3d4k s THR 157 Cb 0.14 -2.28 -0.13 0.00 1.34 0.00 0.00 72.50 71.57 3d4k s THR 157 CO 0.79 -0.32 1.53 -1.14 -0.54 0.00 0.00 174.62 174.94 3d4k n ARG 158 N -0.38 2.36 -4.45 3.99 3.00 -1.26 -4.77 116.66 115.14 3d4k n ARG 158 Ca -0.07 0.84 -0.22 0.00 -0.00 0.00 0.00 57.85 58.40 3d4k n ARG 158 Cb 0.59 -2.57 -0.16 0.00 0.00 0.00 0.00 32.46 30.31 3d4k n ARG 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3d4k s VAL 159 N 0.20 0.89 0.87 5.15 1.01 -1.26 -1.73 120.40 125.52 3d4k s VAL 159 Ca 0.69 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 3d4k s VAL 159 Cb -0.58 -0.80 0.11 0.00 0.00 0.00 0.00 36.38 35.11 3d4k s VAL 159 CO 0.46 0.28 1.11 -0.94 0.00 0.00 0.00 175.10 176.01 3d4k s SER 160 N 0.36 3.80 0.54 3.32 1.04 0.11 -4.87 113.70 118.00 3d4k s SER 160 Ca -0.07 1.25 0.23 0.00 0.48 0.00 0.00 55.95 57.85 3d4k s SER 160 Cb -0.11 -1.92 1.41 0.00 0.10 0.00 0.00 66.02 65.49 3d4k s SER 160 CO 0.01 -2.40 2.05 0.77 0.98 0.00 0.00 173.24 174.66 3d4k h SER 161 N -1.39 0.00 -0.05 7.02 4.64 -2.01 0.36 113.55 122.12 3d4k h SER 161 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3d4k h SER 161 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3d4k h SER 161 CO 0.59 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 3d4k n ASN 162 N -4.31 0.53 0.00 4.97 0.23 -1.26 -4.89 115.26 110.53 3d4k n ASN 162 Ca 0.05 -1.46 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 3d4k n ASN 162 Cb 0.42 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3d4k n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d4k n GLY 163 N 0.93 0.77 3.76 4.83 0.00 0.13 -5.05 105.19 110.56 3d4k n GLY 163 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3d4k n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d4k s SER 164 N -2.63 7.17 0.28 1.61 0.01 -1.25 -4.74 113.70 114.15 3d4k s SER 164 Ca 0.00 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.36 3d4k s SER 164 Cb 0.00 -2.44 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 3d4k s SER 164 CO 0.00 0.09 1.12 -2.16 0.41 0.00 0.00 173.24 172.71 3d4k s PRO 165 N -0.37 4.61 0.13 12.44 0.04 -1.26 0.06 135.00 150.64 3d4k s PRO 165 Ca 0.35 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3d4k s PRO 165 Cb -0.20 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 3d4k s PRO 165 CO 0.22 0.16 0.24 -0.65 0.04 0.00 0.00 177.00 177.00 3d4k s GLN 166 N -1.39 3.33 0.87 4.56 -0.21 -0.71 -4.78 119.66 121.34 3d4k s GLN 166 Ca 0.45 -0.61 -0.11 0.00 0.02 0.00 0.00 55.36 55.11 3d4k s GLN 166 Cb -0.33 -2.92 0.16 0.00 1.00 0.00 0.00 33.01 30.93 3d4k s GLN 166 CO 0.42 0.54 1.21 0.20 -2.12 0.00 0.00 175.29 175.53 3d4k s GLY 167 N -3.03 1.76 -1.63 3.09 0.00 -1.26 -4.34 107.32 101.91 3d4k s GLY 167 Ca 0.34 -1.28 -0.13 0.00 0.00 0.00 0.00 44.72 43.64 3d4k s GLY 167 CO 0.27 -0.61 0.64 1.44 0.00 0.00 0.00 173.10 174.85 3d4k n SER 168 N -3.44 -2.26 -4.45 1.64 7.64 0.10 -4.86 113.62 107.99 3d4k n SER 168 Ca 0.14 -1.04 -0.28 0.00 1.01 0.00 0.00 58.87 58.71 3d4k n SER 168 Cb 0.60 -2.72 -0.12 0.00 -1.01 0.00 0.00 64.21 60.96 3d4k n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3d4k s SER 169 N -3.63 3.63 -0.16 6.43 0.15 -1.16 -4.96 113.70 114.01 3d4k s SER 169 Ca 0.52 -0.73 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 3d4k s SER 169 Cb -0.28 -0.38 0.04 0.00 -1.71 0.00 0.00 66.02 63.69 3d4k s SER 169 CO 0.93 0.14 0.42 0.54 1.20 0.00 0.00 173.24 176.47 3d4k s VAL 170 N -1.42 -0.00 0.01 4.45 0.11 -1.26 -1.24 120.40 121.05 3d4k s VAL 170 Ca 0.19 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.97 3d4k s VAL 170 Cb -0.09 -0.59 0.08 0.00 -1.53 0.00 0.00 36.38 34.25 3d4k s VAL 170 CO 0.10 0.00 0.70 -0.83 -3.33 0.00 0.00 175.10 171.74 3d4k s GLY 171 N 0.32 -0.56 0.14 6.54 0.00 -0.95 -0.58 107.32 112.23 3d4k s GLY 171 Ca -0.01 1.11 -0.06 0.00 0.00 0.00 0.00 44.72 45.76 3d4k s GLY 171 CO -0.01 0.68 0.20 0.50 0.00 0.00 0.00 173.10 174.48 3d4k s ARG 172 N -2.09 1.04 -0.04 2.90 0.52 -0.70 -2.09 118.95 118.49 3d4k s ARG 172 Ca -0.05 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 53.91 3d4k s ARG 172 Cb -0.00 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.83 3d4k s ARG 172 CO 0.01 -0.35 0.08 0.00 0.02 0.00 0.00 175.30 175.06 3d4k s ALA 173 N -3.98 0.06 0.06 2.13 0.00 -0.33 -0.93 121.76 118.77 3d4k s ALA 173 Ca 0.17 0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.57 3d4k s ALA 173 Cb 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3d4k s ALA 173 CO -0.01 -0.35 -0.25 -0.51 0.00 0.00 0.00 175.76 174.65 3d4k s LEU 174 N 1.74 2.30 0.28 0.00 1.02 -0.25 -1.07 118.68 122.69 3d4k s LEU 174 Ca -0.01 -0.58 -0.29 0.00 0.02 0.00 0.00 54.13 53.27 3d4k s LEU 174 Cb -0.12 -1.33 -0.10 0.00 0.02 0.00 0.00 46.19 44.66 3d4k s LEU 174 CO -0.04 0.25 1.22 0.12 0.02 0.00 0.00 176.35 177.92 3d4k s PHE 175 N -0.88 3.31 0.16 0.29 5.36 -0.42 -0.55 117.98 125.26 3d4k s PHE 175 Ca 0.13 1.49 -0.16 0.00 -0.96 0.00 0.00 56.93 57.42 3d4k s PHE 175 Cb -0.10 -3.50 0.09 0.00 -0.34 0.00 0.00 43.02 39.17 3d4k s PHE 175 CO 0.03 -1.32 1.70 -0.92 -1.46 0.00 0.00 175.22 173.25 3d4k h TYR 176 N 4.02 -0.01 -3.38 10.12 3.20 -1.56 -3.43 116.97 125.93 3d4k h TYR 176 Ca -0.47 0.03 -0.53 0.00 3.14 0.00 0.00 58.73 60.90 3d4k h TYR 176 Cb 1.22 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3d4k h TYR 176 CO 0.58 -0.07 0.50 0.00 -1.64 0.00 0.00 178.16 177.54 3d4k s ALA 177 N -6.18 3.35 0.70 1.82 0.00 -1.26 -5.02 121.76 115.17 3d4k s ALA 177 Ca -0.13 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 3d4k s ALA 177 Cb 0.13 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.89 3d4k s ALA 177 CO 0.71 -0.31 1.18 -2.14 0.00 0.00 0.00 175.76 175.19 3d4k s PRO 178 N 0.42 2.36 -0.07 0.00 0.02 -1.26 -4.79 135.00 131.68 3d4k s PRO 178 Ca 0.54 1.64 0.05 0.00 0.02 0.00 0.00 61.00 63.26 3d4k s PRO 178 Cb -0.28 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 3d4k s PRO 178 CO 0.32 -1.64 -0.24 0.08 -0.33 0.00 0.00 177.00 175.18 3d4k s VAL 179 N -2.09 2.08 -0.88 3.83 1.01 0.30 -4.94 120.40 119.72 3d4k s VAL 179 Ca 0.72 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3d4k s VAL 179 Cb -0.26 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.46 3d4k s VAL 179 CO 0.44 0.57 1.13 -2.28 0.00 0.00 0.00 175.10 174.96 3d4k s HIS 180 N -0.03 2.95 0.25 5.22 2.46 -1.26 -0.95 115.29 123.93 3d4k s HIS 180 Ca -0.08 -1.14 0.04 0.00 0.47 0.00 0.00 55.06 54.35 3d4k s HIS 180 Cb -0.15 -4.34 0.32 0.00 -0.13 0.00 0.00 32.58 28.28 3d4k s HIS 180 CO 0.05 -1.58 1.62 0.97 -2.47 0.00 0.00 174.74 173.33 3d4k h ILE 181 N 5.99 1.34 -2.90 0.89 6.09 -1.78 -3.46 117.51 123.68 3d4k h ILE 181 Ca 0.07 -1.72 -0.08 0.00 -1.37 0.00 0.00 64.86 61.76 3d4k h ILE 181 Cb 1.03 1.79 -0.17 0.00 0.47 0.00 0.00 36.82 39.94 3d4k h ILE 181 CO 1.16 0.52 -0.07 -1.66 -3.07 0.00 0.00 178.15 175.03 3d4k s TRP 182 N -4.00 -0.32 -0.23 2.19 1.48 -1.24 -4.77 118.94 112.06 3d4k s TRP 182 Ca -0.05 0.35 -0.05 0.00 -1.06 0.00 0.00 56.10 55.29 3d4k s TRP 182 Cb 0.13 0.24 0.12 0.00 -1.16 0.00 0.00 33.47 32.80 3d4k s TRP 182 CO 0.79 -0.57 0.42 -2.00 -4.06 0.00 0.00 176.95 171.54 3d4k s GLU 183 N -2.23 0.36 0.35 3.25 2.12 -1.26 -4.77 118.70 116.51 3d4k s GLU 183 Ca -0.07 0.82 0.15 0.00 0.36 0.00 0.00 54.97 56.23 3d4k s GLU 183 Cb -0.01 0.00 1.14 0.00 0.26 0.00 0.00 34.13 35.52 3d4k s GLU 183 CO -0.00 -0.45 1.61 1.03 -0.54 0.00 0.00 175.26 176.90 3d4k h SER 184 N 8.16 0.22 -0.08 -1.70 0.87 -2.01 0.29 113.55 119.30 3d4k h SER 184 Ca -0.18 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3d4k h SER 184 Cb 1.13 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 3d4k h SER 184 CO 0.20 -0.32 0.02 -1.54 -0.53 0.00 0.00 176.83 174.65 3d4k n SER 185 N -5.24 1.95 -4.52 6.23 3.41 -1.26 -4.84 113.62 109.35 3d4k n SER 185 Ca 0.33 -2.13 -0.34 0.00 -0.26 0.00 0.00 58.87 56.48 3d4k n SER 185 Cb 1.08 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 3d4k n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d4k s ALA 186 N -0.98 2.92 0.11 7.33 0.00 0.10 -0.72 121.76 130.52 3d4k s ALA 186 Ca 0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 3d4k s ALA 186 Cb 0.05 -1.31 -0.12 0.00 0.00 0.00 0.00 23.12 21.74 3d4k s ALA 186 CO 0.02 0.42 1.36 0.28 0.00 0.00 0.00 175.76 177.84 3d4k h VAL 187 N 4.68 1.28 -3.41 0.00 2.07 -0.47 -3.45 116.25 116.94 3d4k h VAL 187 Ca -0.40 -1.81 -0.21 0.00 0.82 0.00 0.00 66.70 65.10 3d4k h VAL 187 Cb 1.18 1.78 -0.28 0.00 -1.52 0.00 0.00 31.29 32.45 3d4k h VAL 187 CO 0.56 0.58 -0.59 -0.69 0.02 0.00 0.00 177.57 177.44 3d4k s VAL 188 N -3.98 -0.01 -0.01 2.57 1.01 -1.24 -4.93 120.40 113.81 3d4k s VAL 188 Ca -0.11 0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3d4k s VAL 188 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.29 3d4k s VAL 188 CO 0.89 0.02 -0.07 0.00 0.00 0.00 0.00 175.10 175.94 3d4k s ALA 189 N 0.36 0.60 0.11 5.51 0.00 -1.26 -0.71 121.76 126.38 3d4k s ALA 189 Ca -0.03 -0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 3d4k s ALA 189 Cb -0.04 -0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.00 3d4k s ALA 189 CO -0.01 0.14 0.70 -1.54 0.00 0.00 0.00 175.76 175.04 3d4k s SER 190 N -0.13 -0.49 0.07 0.00 1.04 -0.66 0.37 113.70 113.91 3d4k s SER 190 Ca 0.02 -0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.18 3d4k s SER 190 Cb -0.03 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.69 3d4k s SER 190 CO -0.00 -0.88 0.60 0.72 0.98 0.00 0.00 173.24 174.66 3d4k s PHE 191 N -3.56 -0.54 -0.00 5.02 -0.12 -0.44 -0.62 117.98 117.71 3d4k s PHE 191 Ca 0.03 0.59 -0.09 0.00 -0.05 0.00 0.00 56.93 57.40 3d4k s PHE 191 Cb -0.01 0.46 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 3d4k s PHE 191 CO -0.11 -0.73 0.19 -1.83 -0.05 0.00 0.00 175.22 172.69 3d4k s GLU 192 N -2.70 0.54 0.00 1.99 -1.05 -0.21 -1.32 118.70 115.95 3d4k s GLU 192 Ca -0.04 -0.34 -0.03 0.00 -0.15 0.00 0.00 54.97 54.41 3d4k s GLU 192 Cb -0.01 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 3d4k s GLU 192 CO -0.04 -0.13 0.04 0.00 0.95 0.00 0.00 175.26 176.08 3d4k s ALA 193 N -1.37 -0.07 -0.03 -0.84 0.00 0.03 -1.40 121.76 118.08 3d4k s ALA 193 Ca -0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 3d4k s ALA 193 Cb -0.07 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3d4k s ALA 193 CO 0.02 -0.14 0.13 0.99 0.00 0.00 0.00 175.76 176.76 3d4k s THR 194 N -1.07 0.03 -0.11 0.00 2.01 -0.35 -0.52 115.64 115.63 3d4k s THR 194 Ca -0.12 -0.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.42 3d4k s THR 194 Cb -0.07 -0.26 0.06 0.00 0.01 0.00 0.00 72.50 72.24 3d4k s THR 194 CO -0.00 -0.12 0.57 0.72 -0.69 0.00 0.00 174.62 175.10 3d4k s PHE 195 N -0.38 -0.56 -0.04 4.92 -0.12 -0.74 -0.35 117.98 120.70 3d4k s PHE 195 Ca -0.05 1.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.98 3d4k s PHE 195 Cb -0.03 0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 3d4k s PHE 195 CO 0.00 -0.45 -0.00 0.95 -0.05 0.00 0.00 175.22 175.67 3d4k s THR 196 N -0.63 4.18 0.11 -4.49 -4.23 -0.74 -1.14 115.64 108.69 3d4k s THR 196 Ca -0.07 -0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3d4k s THR 196 Cb -0.03 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 3d4k s THR 196 CO 0.05 0.48 0.00 0.72 -0.54 0.00 0.00 174.62 175.33 3d4k s PHE 197 N -0.99 0.81 -0.25 3.99 -0.12 -0.43 -1.41 117.98 119.58 3d4k s PHE 197 Ca 0.17 -1.11 -0.03 0.00 -0.05 0.00 0.00 56.93 55.90 3d4k s PHE 197 Cb -0.11 -0.49 0.08 0.00 -0.63 0.00 0.00 43.02 41.87 3d4k s PHE 197 CO 0.07 -0.38 0.10 -1.17 -0.05 0.00 0.00 175.22 173.78 3d4k s LEU 198 N -3.02 1.00 -0.31 -1.99 2.96 -0.10 -0.61 118.68 116.59 3d4k s LEU 198 Ca 0.17 -1.13 -0.10 0.00 -0.22 0.00 0.00 54.13 52.85 3d4k s LEU 198 Cb 0.07 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 3d4k s LEU 198 CO -0.03 -0.39 0.15 -0.63 -1.32 0.00 0.00 176.35 174.14 3d4k s ILE 199 N 1.95 4.63 -0.01 6.68 1.01 -1.26 -3.01 121.20 131.19 3d4k s ILE 199 Ca 0.06 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.35 3d4k s ILE 199 Cb -0.16 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 3d4k s ILE 199 CO -0.23 0.08 -0.12 -0.75 0.00 0.00 0.00 174.94 173.91 3d4k s LYS 200 N 1.62 1.06 -0.11 2.79 2.20 -1.24 -0.75 119.74 125.31 3d4k s LYS 200 Ca 0.05 -0.44 -0.17 0.00 -0.36 0.00 0.00 55.97 55.05 3d4k s LYS 200 Cb -0.17 -1.01 0.04 0.00 -1.51 0.00 0.00 37.83 35.18 3d4k s LYS 200 CO 0.06 0.25 0.44 0.45 -0.36 0.00 0.00 175.35 176.19 3d4k s SER 201 N -0.21 -0.41 0.27 1.43 0.15 -1.26 -0.39 113.70 113.28 3d4k s SER 201 Ca 0.03 0.65 0.15 0.00 0.70 0.00 0.00 55.95 57.49 3d4k s SER 201 Cb -0.06 0.70 0.06 0.00 -1.71 0.00 0.00 66.02 65.01 3d4k s SER 201 CO -0.00 -0.29 1.42 1.55 1.20 0.00 0.00 173.24 177.11 3d4k h PRO 202 N 4.69 0.00 -7.25 5.44 0.13 -1.98 -3.47 132.00 129.56 3d4k h PRO 202 Ca -0.28 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.33 3d4k h PRO 202 Cb 1.17 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.50 3d4k h PRO 202 CO 0.29 0.48 0.18 -0.25 -0.23 0.00 0.00 178.00 178.48 3d4k n ASP 203 N -3.21 0.23 0.08 1.44 10.43 -1.26 -4.92 116.55 119.34 3d4k n ASP 203 Ca 0.01 0.42 0.12 0.00 2.57 0.00 0.00 54.79 57.91 3d4k n ASP 203 Cb 0.74 -1.47 0.25 0.00 1.84 0.00 0.00 41.12 42.48 3d4k n ASP 203 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3d4k h SER 204 N -1.90 0.00 -2.46 -2.24 4.64 -1.97 -3.39 113.55 106.23 3d4k h SER 204 Ca -0.43 -0.13 -0.55 0.00 -0.47 0.00 0.00 61.79 60.21 3d4k h SER 204 Cb 1.27 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.98 3d4k h SER 204 CO 0.41 0.07 -0.84 -1.00 -0.87 0.00 0.00 176.83 174.59 3d4k s HIS 205 N -3.15 0.61 0.78 4.77 3.76 -1.26 -5.14 115.29 115.66 3d4k s HIS 205 Ca 0.08 -1.60 -0.13 0.00 -0.15 0.00 0.00 55.06 53.25 3d4k s HIS 205 Cb 0.13 -0.83 0.07 0.00 1.11 0.00 0.00 32.58 33.05 3d4k s HIS 205 CO 0.68 -0.85 1.16 -1.25 -0.85 0.00 0.00 174.74 173.63 3d4k s PRO 206 N 0.98 1.94 0.12 8.40 0.04 -1.26 -4.67 135.00 140.55 3d4k s PRO 206 Ca 0.20 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 3d4k s PRO 206 Cb -0.18 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.59 3d4k s PRO 206 CO -0.02 -1.95 0.54 0.00 0.04 0.00 0.00 177.00 175.61 3d4k s ALA 207 N -2.37 -1.38 -0.09 8.56 0.00 -1.21 -3.94 121.76 121.33 3d4k s ALA 207 Ca 0.69 0.40 0.06 0.00 0.00 0.00 0.00 51.96 53.12 3d4k s ALA 207 Cb -0.24 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.49 3d4k s ALA 207 CO 0.50 -0.67 0.17 -0.25 0.00 0.00 0.00 175.76 175.51 3d4k n ASP 208 N -0.14 2.66 0.00 0.00 9.92 0.18 -2.69 116.55 126.48 3d4k n ASP 208 Ca -0.17 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.92 3d4k n ASP 208 Cb 0.63 1.22 0.00 0.00 -0.64 0.00 0.00 41.12 42.33 3d4k n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d4k n GLY 209 N 1.87 2.08 3.21 0.44 0.00 -1.23 -2.41 105.19 109.16 3d4k n GLY 209 Ca -0.01 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 3d4k n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d4k s ILE 210 N -1.56 1.28 -0.04 -0.61 1.01 -0.77 -2.67 121.20 117.85 3d4k s ILE 210 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 60.65 59.11 3d4k s ILE 210 Cb 0.00 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.23 3d4k s ILE 210 CO 0.00 -0.23 0.25 0.00 0.00 0.00 0.00 174.94 174.97 3d4k s ALA 211 N -1.41 -0.63 -0.15 9.38 0.00 0.38 0.11 121.76 129.43 3d4k s ALA 211 Ca 0.02 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 3d4k s ALA 211 Cb -0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3d4k s ALA 211 CO 0.03 -0.21 0.10 0.12 0.00 0.00 0.00 175.76 175.80 3d4k s PHE 212 N -0.91 3.41 0.10 0.00 5.36 -0.70 -0.39 117.98 124.84 3d4k s PHE 212 Ca -0.10 0.32 -0.02 0.00 -0.96 0.00 0.00 56.93 56.17 3d4k s PHE 212 Cb -0.05 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3d4k s PHE 212 CO 0.02 0.44 0.05 -0.59 -1.46 0.00 0.00 175.22 173.68 3d4k s PHE 213 N -0.28 0.69 -0.06 10.12 -0.12 0.20 -1.32 117.98 127.22 3d4k s PHE 213 Ca 0.10 -1.13 0.02 0.00 -0.05 0.00 0.00 56.93 55.87 3d4k s PHE 213 Cb -0.12 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 41.88 3d4k s PHE 213 CO 0.01 -0.49 -0.10 0.42 -0.05 0.00 0.00 175.22 175.02 3d4k s ILE 214 N -3.99 0.93 0.35 -4.49 1.01 0.21 -1.21 121.20 114.01 3d4k s ILE 214 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3d4k s ILE 214 Cb 0.07 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 3d4k s ILE 214 CO -0.03 0.31 0.45 -1.54 0.00 0.00 0.00 174.94 174.13 3d4k n SER 215 N 3.91 -1.22 -4.73 3.58 3.41 -0.70 -1.92 113.62 115.95 3d4k n SER 215 Ca -0.23 -2.98 -0.36 0.00 -0.26 0.00 0.00 58.87 55.03 3d4k n SER 215 Cb 0.51 2.37 0.06 0.00 -0.26 0.00 0.00 64.21 66.89 3d4k n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3d4k s ASN 216 N -3.22 4.68 0.39 4.04 4.22 -1.21 -1.62 114.94 122.21 3d4k s ASN 216 Ca 0.32 2.55 0.12 0.00 -2.14 0.00 0.00 52.86 53.71 3d4k s ASN 216 Cb -0.00 -2.61 0.93 0.00 1.28 0.00 0.00 41.25 40.85 3d4k s ASN 216 CO 0.23 -1.95 1.89 0.16 -2.04 0.00 0.00 177.10 175.39 3d4k h ILE 217 N 0.53 0.81 -0.42 0.54 3.07 -1.85 -2.20 117.51 117.98 3d4k h ILE 217 Ca -0.50 -0.19 -0.05 0.00 1.55 0.00 0.00 64.86 65.66 3d4k h ILE 217 Cb 1.32 0.20 -0.03 0.00 -0.27 0.00 0.00 36.82 38.04 3d4k h ILE 217 CO 0.53 0.10 0.07 -0.90 -1.05 0.00 0.00 178.15 176.90 3d4k n ASP 218 N -4.52 4.01 -4.78 2.16 5.75 -1.26 -4.83 116.55 113.09 3d4k n ASP 218 Ca 0.16 -2.68 -0.41 0.00 -0.01 0.00 0.00 54.79 51.86 3d4k n ASP 218 Cb 0.51 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 3d4k n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3d4k s SER 219 N -0.50 6.26 0.12 -1.12 0.15 -0.83 -5.03 113.70 112.74 3d4k s SER 219 Ca 0.36 3.00 0.01 0.00 0.70 0.00 0.00 55.95 60.01 3d4k s SER 219 Cb 0.28 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 3d4k s SER 219 CO 0.10 -0.92 -0.01 -0.94 1.20 0.00 0.00 173.24 172.67 3d4k s SER 220 N -0.25 0.83 0.05 5.45 1.04 -1.26 -5.07 113.70 114.49 3d4k s SER 220 Ca 0.54 -1.10 -0.30 0.00 0.48 0.00 0.00 55.95 55.57 3d4k s SER 220 Cb -0.45 0.17 -0.08 0.00 0.10 0.00 0.00 66.02 65.75 3d4k s SER 220 CO 0.61 -0.58 1.78 -0.63 0.98 0.00 0.00 173.24 175.39 3d4k s ILE 221 N -3.79 3.01 0.17 -1.02 1.01 -1.26 -4.92 121.20 114.39 3d4k s ILE 221 Ca 0.17 0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.81 3d4k s ILE 221 Cb 0.07 -3.19 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 3d4k s ILE 221 CO -0.02 -0.01 1.52 -2.84 0.00 0.00 0.00 174.94 173.59 3d4k s PRO 222 N 3.39 4.24 0.13 2.79 0.02 -1.26 -4.88 135.00 139.42 3d4k s PRO 222 Ca 0.79 2.32 -0.35 0.00 0.02 0.00 0.00 61.00 63.78 3d4k s PRO 222 Cb -0.41 -3.16 -0.15 0.00 0.02 0.00 0.00 34.50 30.80 3d4k s PRO 222 CO 0.35 -0.56 1.48 0.43 -0.33 0.00 0.00 177.00 178.37 3d4k n SER 223 N 3.69 2.50 0.00 2.53 7.64 -1.26 -1.62 113.62 127.10 3d4k n SER 223 Ca 0.12 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.10 3d4k n SER 223 Cb 0.39 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 3d4k n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d4k n GLY 224 N 3.03 0.46 1.54 0.23 0.00 -1.26 -4.93 105.19 104.26 3d4k n GLY 224 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 3d4k n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d4k n SER 225 N -0.13 4.99 -3.36 1.61 3.41 -0.64 -4.86 113.62 114.64 3d4k n SER 225 Ca 0.00 -2.32 -0.16 0.00 -0.26 0.00 0.00 58.87 56.13 3d4k n SER 225 Cb 0.07 -1.06 0.10 0.00 -0.26 0.00 0.00 64.21 63.06 3d4k n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3d4k n THR 226 N 1.55 0.00 -3.04 6.66 -2.24 -1.26 -0.34 114.28 115.61 3d4k n THR 226 Ca 0.01 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3d4k n THR 226 Cb 0.47 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 3d4k n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d4k n GLY 227 N -0.05 3.14 0.00 3.38 0.00 -0.36 -2.75 105.19 108.55 3d4k n GLY 227 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3d4k n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d4k n ARG 228 N 14.00 0.00 0.00 1.61 1.85 -1.26 -2.30 116.66 130.56 3d4k n ARG 228 Ca 0.00 0.49 0.14 0.00 -1.00 0.00 0.00 57.85 57.47 3d4k n ARG 228 Cb 0.00 -1.50 0.53 0.00 -1.05 0.00 0.00 32.46 30.44 3d4k n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3d4k n LEU 229 N -1.50 0.47 -2.15 2.89 4.77 -1.11 -4.95 117.00 115.43 3d4k n LEU 229 Ca 0.00 0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 3d4k n LEU 229 Cb 0.01 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3d4k n LEU 229 CO 0.01 0.09 -0.09 0.18 -1.33 0.00 0.00 177.39 176.24 3d4k n LEU 230 N -1.07 -0.70 -0.29 2.23 4.77 -0.97 -1.32 117.00 119.64 3d4k n LEU 230 Ca 0.12 0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 56.34 3d4k n LEU 230 Cb 0.30 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.73 3d4k n LEU 230 CO 0.26 -0.17 -0.04 0.61 -1.33 0.00 0.00 177.39 176.73 3d4k n GLY 231 N -0.56 0.47 0.07 -0.72 0.00 0.54 -4.09 105.19 100.90 3d4k n GLY 231 Ca -0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3d4k n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d4k n LEU 232 N -0.43 1.34 -4.34 0.99 4.77 -0.44 -4.38 117.00 114.51 3d4k n LEU 232 Ca -0.04 -0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.64 3d4k n LEU 232 Cb 0.42 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 3d4k n LEU 232 CO 0.06 0.51 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.73 3d4k s PHE 233 N -2.31 2.04 -0.27 -1.77 0.08 -1.17 -4.82 117.98 109.76 3d4k s PHE 233 Ca -0.13 -0.40 0.27 0.00 0.12 0.00 0.00 56.93 56.79 3d4k s PHE 233 Cb 0.04 -1.10 0.74 0.00 -0.57 0.00 0.00 43.02 42.13 3d4k s PHE 233 CO 0.45 0.28 1.75 -1.00 -0.10 0.00 0.00 175.22 176.60 3d4k h PRO 234 N 3.92 0.00 -3.52 0.24 0.13 -1.92 -3.42 132.00 127.43 3d4k h PRO 234 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 3d4k h PRO 234 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3d4k h PRO 234 CO 0.40 0.00 0.03 0.16 -0.23 0.00 0.00 178.00 178.36 3d4k s ASP 235 N -5.87 0.27 -0.29 1.44 1.47 -1.26 -4.92 116.67 107.51 3d4k s ASP 235 Ca 0.05 -1.17 0.08 0.00 1.18 0.00 0.00 52.55 52.70 3d4k s ASP 235 Cb 0.07 0.72 0.67 0.00 -0.34 0.00 0.00 42.92 44.04 3d4k s ASP 235 CO 0.61 -1.41 1.69 0.00 0.68 0.00 0.00 175.17 176.74 3d4k n ALA 236 N -0.51 4.38 0.73 2.11 0.00 -1.26 -4.71 120.51 121.25 3d4k n ALA 236 Ca -0.03 -2.05 0.06 0.00 0.00 0.00 0.00 53.44 51.41 3d4k n ALA 236 Cb 0.61 -1.23 0.35 0.00 0.00 0.00 0.00 19.45 19.17 3d4k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59