#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 4.87 -0.23 0.00 1.01 -1.26 -5.02 116.67 116.04 3d4k s ASP 2 Ca 0.00 2.08 -0.03 0.00 0.71 0.00 0.00 52.55 55.31 3d4k s ASP 2 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3d4k s ASP 2 CO 0.00 -1.80 -0.05 -0.89 0.21 0.00 0.00 175.17 172.64 3d4k s THR 3 N -2.27 3.21 -0.05 -1.27 2.01 -1.26 -5.03 115.64 110.98 3d4k s THR 3 Ca 0.68 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 62.09 3d4k s THR 3 Cb -0.22 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 3d4k s THR 3 CO 0.43 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.89 3d4k s ILE 4 N 1.44 1.64 -0.09 1.82 -1.09 -1.26 -3.32 121.20 120.33 3d4k s ILE 4 Ca 0.04 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 3d4k s ILE 4 Cb -0.15 -1.40 0.02 0.00 -1.58 0.00 0.00 42.46 39.36 3d4k s ILE 4 CO -0.04 0.46 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.36 3d4k s VAL 5 N -0.05 0.99 0.14 2.92 1.01 -0.85 0.20 120.40 124.76 3d4k s VAL 5 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 3d4k s VAL 5 Cb -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3d4k s VAL 5 CO 0.03 0.35 0.31 0.00 0.00 0.00 0.00 175.10 175.79 3d4k s ALA 6 N 1.41 -0.40 -0.23 5.51 0.00 -0.08 -0.62 121.76 127.35 3d4k s ALA 6 Ca -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3d4k s ALA 6 Cb -0.13 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3d4k s ALA 6 CO -0.05 -0.63 -0.09 0.08 0.00 0.00 0.00 175.76 175.08 3d4k s VAL 7 N -3.89 2.73 -0.06 0.00 1.01 -0.01 -0.41 120.40 119.77 3d4k s VAL 7 Ca 0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3d4k s VAL 7 Cb 0.03 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3d4k s VAL 7 CO -0.06 0.27 0.12 -1.83 0.00 0.00 0.00 175.10 173.59 3d4k s GLU 8 N 1.32 3.27 -0.82 2.72 -1.05 -0.04 -1.52 118.70 122.58 3d4k s GLU 8 Ca 0.01 -0.31 0.01 0.00 -0.15 0.00 0.00 54.97 54.53 3d4k s GLU 8 Cb -0.16 -3.02 0.20 0.00 -0.44 0.00 0.00 34.13 30.71 3d4k s GLU 8 CO -0.06 0.71 0.67 -0.51 0.95 0.00 0.00 175.26 177.02 3d4k s LEU 9 N -1.43 5.27 -0.59 1.83 1.02 0.12 -1.23 118.68 123.67 3d4k s LEU 9 Ca 0.20 -3.78 -0.28 0.00 0.02 0.00 0.00 54.13 50.29 3d4k s LEU 9 Cb -0.12 -1.80 0.03 0.00 0.02 0.00 0.00 46.19 44.32 3d4k s LEU 9 CO 0.10 -0.14 1.19 -0.62 0.02 0.00 0.00 176.35 176.90 3d4k s ASP 10 N -0.66 6.43 0.28 2.29 -1.08 -0.31 -1.83 116.67 121.80 3d4k s ASP 10 Ca 0.26 0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.60 3d4k s ASP 10 Cb -0.06 -2.55 0.20 0.00 -1.46 0.00 0.00 42.92 39.05 3d4k s ASP 10 CO -0.14 -1.49 1.32 0.71 0.52 0.00 0.00 175.17 176.09 3d4k h THR 11 N 6.15 0.00 -3.09 1.71 1.35 -1.77 -1.20 112.91 116.07 3d4k h THR 11 Ca -0.25 -0.92 -0.67 0.00 -0.55 0.00 0.00 66.41 64.02 3d4k h THR 11 Cb 1.06 1.64 -0.35 0.00 -1.73 0.00 0.00 68.15 68.77 3d4k h THR 11 CO 1.19 0.00 -0.85 -0.47 -0.25 0.00 0.00 175.52 175.14 3d4k s TYR 12 N -3.27 2.79 -0.12 4.73 6.14 -1.25 -4.56 117.35 121.81 3d4k s TYR 12 Ca 0.04 -1.62 -0.29 0.00 0.64 0.00 0.00 57.07 55.83 3d4k s TYR 12 Cb 0.08 -1.93 -0.02 0.00 0.42 0.00 0.00 41.96 40.51 3d4k s TYR 12 CO 0.73 -0.80 1.30 -1.25 0.64 0.00 0.00 175.55 176.17 3d4k s PRO 13 N 1.30 4.25 -0.84 4.97 0.04 -1.26 -4.93 135.00 138.53 3d4k s PRO 13 Ca 0.05 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.84 3d4k s PRO 13 Cb -0.13 -3.73 0.23 0.00 0.04 0.00 0.00 34.50 30.91 3d4k s PRO 13 CO -0.12 -0.66 0.84 0.09 0.04 0.00 0.00 177.00 177.19 3d4k n ASN 14 N 6.31 4.28 0.21 6.66 4.13 -1.26 -4.92 115.26 130.67 3d4k n ASN 14 Ca 0.14 -3.26 0.14 0.00 1.68 0.00 0.00 54.58 53.27 3d4k n ASN 14 Cb 0.45 -0.95 0.74 0.00 -1.54 0.00 0.00 39.78 38.48 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 3.78 0.00 0.00 3.41 1.35 -1.83 -1.69 112.91 117.92 3d4k h THR 15 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3d4k h THR 15 Cb 0.74 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3d4k h THR 15 CO 0.91 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.28 3d4k n ASP 16 N -2.47 0.23 -0.64 5.36 5.75 -1.26 -3.41 116.55 120.11 3d4k n ASP 16 Ca -0.02 0.53 0.06 0.00 -0.01 0.00 0.00 54.79 55.35 3d4k n ASP 16 Cb 0.06 -0.59 0.20 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.72 2.07 -0.26 2.12 -5.35 -0.65 -4.96 119.36 110.60 3d4k n ILE 17 Ca 0.06 -3.09 0.00 0.00 -0.27 0.00 0.00 62.75 59.45 3d4k n ILE 17 Cb 0.32 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -1.03 0.65 3.78 3.28 0.00 -1.22 -4.71 105.19 105.95 3d4k n GLY 18 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.97 7.31 0.93 1.61 -0.00 -1.15 -4.90 116.67 117.50 3d4k s ASP 19 Ca 0.00 1.74 -0.12 0.00 -0.00 0.00 0.00 52.55 54.17 3d4k s ASP 19 Cb 0.00 -2.54 0.15 0.00 -0.00 0.00 0.00 42.92 40.53 3d4k s ASP 19 CO 0.00 -0.00 1.09 -2.16 -0.00 0.00 0.00 175.17 174.10 3d4k s PRO 20 N -1.88 1.01 -0.02 8.23 0.04 -1.26 -3.93 135.00 137.19 3d4k s PRO 20 Ca 0.47 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 3d4k s PRO 20 Cb -0.19 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3d4k s PRO 20 CO 0.24 -2.40 2.72 0.43 0.04 0.00 0.00 177.00 178.03 3d4k n SER 21 N -3.98 5.36 -3.57 6.66 7.64 -1.26 -4.61 113.62 119.85 3d4k n SER 21 Ca 0.07 -2.47 -0.06 0.00 1.01 0.00 0.00 58.87 57.41 3d4k n SER 21 Cb 0.56 -1.26 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 3d4k n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3d4k s TYR 22 N 0.35 -0.20 0.46 1.43 -0.85 -1.26 -5.02 117.35 112.26 3d4k s TYR 22 Ca 0.31 0.17 -0.23 0.00 -0.52 0.00 0.00 57.07 56.79 3d4k s TYR 22 Cb 0.15 0.51 -0.09 0.00 0.38 0.00 0.00 41.96 42.91 3d4k s TYR 22 CO -0.00 -0.29 1.03 -2.30 -1.52 0.00 0.00 175.55 172.47 3d4k n PRO 23 N -0.00 1.33 -3.82 -3.49 -0.02 -1.26 -4.68 135.00 123.05 3d4k n PRO 23 Ca -0.03 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 3d4k n PRO 23 Cb 0.59 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.32 -0.10 0.03 6.00 -3.43 -0.45 -1.55 115.29 114.47 3d4k s HIS 24 Ca 0.66 -0.30 0.07 0.00 -0.80 0.00 0.00 55.06 54.69 3d4k s HIS 24 Cb -0.52 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.13 3d4k s HIS 24 CO 0.55 -1.09 -0.20 0.96 -2.00 0.00 0.00 174.74 172.96 3d4k s ILE 25 N -3.91 2.67 0.18 -5.38 -4.36 -0.59 -1.16 121.20 108.64 3d4k s ILE 25 Ca 0.12 -1.19 -0.13 0.00 -0.26 0.00 0.00 60.65 59.19 3d4k s ILE 25 Cb -0.03 -2.10 0.01 0.00 1.25 0.00 0.00 42.46 41.59 3d4k s ILE 25 CO 0.04 0.37 0.40 -0.83 0.24 0.00 0.00 174.94 175.16 3d4k s GLY 26 N -1.33 0.22 -0.28 6.27 0.00 -0.36 -1.28 107.32 110.56 3d4k s GLY 26 Ca 0.14 -0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.20 3d4k s GLY 26 CO 0.04 -0.57 0.08 -0.42 0.00 0.00 0.00 173.10 172.23 3d4k s ILE 27 N -3.93 4.08 -0.25 0.90 -1.09 -0.43 -0.86 121.20 119.62 3d4k s ILE 27 Ca 0.14 -0.50 -0.08 0.00 -2.23 0.00 0.00 60.65 57.98 3d4k s ILE 27 Cb 0.01 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 3d4k s ILE 27 CO -0.01 0.18 0.08 -1.81 -1.23 0.00 0.00 174.94 172.15 3d4k s ASP 28 N 1.54 5.19 -0.40 3.58 1.01 0.45 -0.70 116.67 127.35 3d4k s ASP 28 Ca 0.04 -0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.10 3d4k s ASP 28 Cb -0.16 -1.94 0.11 0.00 1.01 0.00 0.00 42.92 41.94 3d4k s ASP 28 CO 0.03 -0.04 0.16 -0.63 0.21 0.00 0.00 175.17 174.90 3d4k s ILE 29 N 1.62 2.90 -1.79 0.77 -1.09 -1.26 -0.90 121.20 121.46 3d4k s ILE 29 Ca 0.06 -2.26 0.00 0.00 -2.23 0.00 0.00 60.65 56.22 3d4k s ILE 29 Cb -0.15 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 3d4k s ILE 29 CO 0.04 -0.67 0.00 0.29 -1.23 0.00 0.00 174.94 173.37 3d4k n LYS 30 N 4.35 -1.53 -3.60 2.79 5.02 0.13 -4.93 118.16 120.40 3d4k n LYS 30 Ca 0.01 1.07 -0.15 0.00 -2.02 0.00 0.00 58.31 57.22 3d4k n LYS 30 Cb 0.41 -5.45 -0.07 0.00 -0.02 0.00 0.00 35.03 29.90 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 -2.58 -0.71 0.42 4.39 0.15 -1.26 -4.93 113.70 109.18 3d4k s SER 31 Ca 0.00 1.21 0.29 0.00 0.70 0.00 0.00 55.95 58.15 3d4k s SER 31 Cb 0.00 1.16 1.18 0.00 -1.71 0.00 0.00 66.02 66.65 3d4k s SER 31 CO 0.00 -0.36 1.86 1.62 1.20 0.00 0.00 173.24 177.56 3d4k h VAL 32 N 3.67 0.00 -2.14 4.45 3.04 -1.90 -3.38 116.25 119.99 3d4k h VAL 32 Ca -0.28 -0.41 -0.62 0.00 -1.01 0.00 0.00 66.70 64.37 3d4k h VAL 32 Cb 1.15 1.31 -0.13 0.00 -2.01 0.00 0.00 31.29 31.61 3d4k h VAL 32 CO 0.16 0.00 0.96 -0.13 -1.01 0.00 0.00 177.57 177.55 3d4k s ARG 33 N -3.50 3.38 0.24 4.17 0.52 -1.26 -4.98 118.95 117.52 3d4k s ARG 33 Ca 0.03 -1.05 -0.28 0.00 -0.52 0.00 0.00 55.73 53.91 3d4k s ARG 33 Cb 0.09 -4.70 -0.16 0.00 0.52 0.00 0.00 34.95 30.71 3d4k s ARG 33 CO 0.49 -1.97 0.67 0.43 0.02 0.00 0.00 175.30 174.94 3d4k n SER 34 N 8.01 -0.44 0.18 0.23 7.64 -1.26 -4.80 113.62 123.17 3d4k n SER 34 Ca 0.14 1.14 0.12 0.00 1.01 0.00 0.00 58.87 61.28 3d4k n SER 34 Cb 0.48 -1.06 0.16 0.00 -1.01 0.00 0.00 64.21 62.78 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 1.30 0.00 -2.22 1.43 1.79 -1.26 -3.46 116.57 114.16 3d4k h LYS 35 Ca -0.32 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.08 3d4k h LYS 35 Cb 1.41 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.84 3d4k h LYS 35 CO 0.58 0.00 0.04 0.21 -1.08 0.00 0.00 179.45 179.20 3d4k s LYS 36 N -3.23 0.79 0.16 3.15 2.47 -1.24 -5.01 119.74 116.83 3d4k s LYS 36 Ca 0.06 0.72 -0.03 0.00 -1.56 0.00 0.00 55.97 55.16 3d4k s LYS 36 Cb 0.07 0.38 -0.03 0.00 -1.46 0.00 0.00 37.83 36.78 3d4k s LYS 36 CO 0.69 -0.13 0.13 0.95 0.16 0.00 0.00 175.35 177.15 3d4k s THR 37 N -0.01 0.06 -0.10 3.43 -4.23 -1.26 -1.32 115.64 112.21 3d4k s THR 37 Ca -0.03 -1.83 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 3d4k s THR 37 Cb -0.04 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.68 3d4k s THR 37 CO 0.03 -0.28 0.32 0.00 -0.54 0.00 0.00 174.62 174.14 3d4k s ALA 38 N -4.07 -0.78 0.30 3.99 0.00 -0.41 -4.98 121.76 115.81 3d4k s ALA 38 Ca 0.27 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 3d4k s ALA 38 Cb 0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 23.12 22.64 3d4k s ALA 38 CO 0.05 -0.17 1.56 0.21 0.00 0.00 0.00 175.76 177.41 3d4k s LYS 39 N -0.08 4.14 -0.11 0.00 2.20 -1.26 -1.55 119.74 123.09 3d4k s LYS 39 Ca -0.02 2.53 0.01 0.00 -0.36 0.00 0.00 55.97 58.13 3d4k s LYS 39 Cb -0.03 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.28 3d4k s LYS 39 CO 0.01 -0.59 -0.12 -0.46 -0.36 0.00 0.00 175.35 173.83 3d4k s TRP 40 N -0.14 1.82 -1.21 4.03 -0.00 -0.60 -4.79 118.94 118.05 3d4k s TRP 40 Ca 0.61 -0.89 -0.13 0.00 -0.00 0.00 0.00 56.10 55.69 3d4k s TRP 40 Cb -0.47 -1.36 0.18 0.00 -0.00 0.00 0.00 33.47 31.82 3d4k s TRP 40 CO 0.49 -0.51 1.43 0.09 -0.00 0.00 0.00 176.95 178.46 3d4k n ASN 41 N 4.49 5.25 -4.75 5.86 3.02 -1.26 -4.39 115.26 123.48 3d4k n ASN 41 Ca -0.17 -2.99 -0.41 0.00 -0.03 0.00 0.00 54.58 50.98 3d4k n ASN 41 Cb 0.51 -1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.10 3d4k n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3d4k s MET 42 N 1.28 4.31 -0.47 3.52 -2.45 -1.26 -4.98 119.30 119.25 3d4k s MET 42 Ca 0.42 2.24 -0.05 0.00 -1.25 0.00 0.00 55.69 57.04 3d4k s MET 42 Cb -0.03 -3.12 0.12 0.00 1.25 0.00 0.00 34.83 33.06 3d4k s MET 42 CO -0.00 -0.35 0.30 -0.65 1.05 0.00 0.00 175.02 175.37 3d4k s GLN 43 N -0.57 2.28 -0.14 4.11 -0.21 -1.26 -5.06 119.66 118.80 3d4k s GLN 43 Ca 0.57 -1.91 -0.37 0.00 0.02 0.00 0.00 55.36 53.67 3d4k s GLN 43 Cb -0.40 -3.74 -0.14 0.00 1.00 0.00 0.00 33.01 29.72 3d4k s GLN 43 CO 0.44 -1.14 1.78 -1.71 -2.12 0.00 0.00 175.29 172.54 3d4k n ASN 44 N 4.54 2.89 0.00 5.90 2.85 -1.26 -1.60 115.26 128.59 3d4k n ASN 44 Ca -0.02 1.03 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 3d4k n ASN 44 Cb 0.41 -1.27 0.00 0.00 1.24 0.00 0.00 39.78 40.16 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 4.15 0.90 3.71 8.20 0.00 -0.02 -4.96 105.19 117.18 3d4k n GLY 45 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.61 2.79 -0.12 1.61 -0.14 -0.62 -4.95 119.74 117.70 3d4k s LYS 46 Ca 0.00 -0.64 -0.30 0.00 -1.36 0.00 0.00 55.97 53.67 3d4k s LYS 46 Cb 0.00 -2.68 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 3d4k s LYS 46 CO 0.00 0.61 1.18 0.08 -0.76 0.00 0.00 175.35 176.45 3d4k s VAL 47 N -1.17 4.38 0.42 3.17 1.01 -1.26 -4.30 120.40 122.65 3d4k s VAL 47 Ca 0.22 1.68 0.07 0.00 0.00 0.00 0.00 61.98 63.95 3d4k s VAL 47 Cb -0.12 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3d4k s VAL 47 CO 0.13 -0.06 0.21 -0.83 0.00 0.00 0.00 175.10 174.55 3d4k s GLY 48 N 1.55 2.33 -0.02 4.51 0.00 0.36 -4.59 107.32 111.46 3d4k s GLY 48 Ca 0.53 -2.03 0.03 0.00 0.00 0.00 0.00 44.72 43.25 3d4k s GLY 48 CO 0.17 -1.89 -0.11 -1.59 0.00 0.00 0.00 173.10 169.68 3d4k s THR 49 N -2.59 0.88 -0.07 0.90 2.01 0.21 -1.11 115.64 115.88 3d4k s THR 49 Ca 0.41 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.01 3d4k s THR 49 Cb 0.03 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.77 3d4k s THR 49 CO 0.23 0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 174.23 3d4k s ALA 50 N 0.00 1.74 -0.09 7.40 0.00 -0.31 -0.81 121.76 129.69 3d4k s ALA 50 Ca -0.00 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3d4k s ALA 50 Cb -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3d4k s ALA 50 CO 0.00 0.26 -0.15 -1.58 0.00 0.00 0.00 175.76 174.29 3d4k s HIS 51 N 0.28 1.79 -0.04 0.00 2.46 -0.08 -1.72 115.29 117.97 3d4k s HIS 51 Ca -0.11 -0.74 0.06 0.00 0.47 0.00 0.00 55.06 54.74 3d4k s HIS 51 Cb -0.15 -1.28 -0.01 0.00 -0.13 0.00 0.00 32.58 31.00 3d4k s HIS 51 CO 0.05 -0.37 -0.24 0.42 -2.47 0.00 0.00 174.74 172.13 3d4k s ILE 52 N 0.74 1.97 0.02 0.89 1.09 0.34 -1.04 121.20 125.21 3d4k s ILE 52 Ca -0.12 -1.03 -0.00 0.00 -1.10 0.00 0.00 60.65 58.39 3d4k s ILE 52 Cb -0.16 -1.66 -0.02 0.00 -1.06 0.00 0.00 42.46 39.57 3d4k s ILE 52 CO 0.03 0.55 -0.02 0.27 -0.10 0.00 0.00 174.94 175.67 3d4k s ILE 53 N -0.27 0.10 -0.22 2.92 -4.36 -0.12 -0.70 121.20 118.55 3d4k s ILE 53 Ca 0.00 -0.86 -0.22 0.00 -0.26 0.00 0.00 60.65 59.31 3d4k s ILE 53 Cb -0.12 -0.26 0.06 0.00 1.25 0.00 0.00 42.46 43.39 3d4k s ILE 53 CO 0.02 -0.47 0.62 -0.47 0.24 0.00 0.00 174.94 174.88 3d4k s TYR 54 N -1.40 -0.67 -0.04 1.37 6.14 -0.61 -1.25 117.35 120.89 3d4k s TYR 54 Ca -0.15 1.61 -0.06 0.00 0.64 0.00 0.00 57.07 59.11 3d4k s TYR 54 Cb -0.09 0.24 0.01 0.00 0.42 0.00 0.00 41.96 42.54 3d4k s TYR 54 CO -0.01 -0.35 0.16 0.54 0.64 0.00 0.00 175.55 176.53 3d4k s ASN 55 N 0.20 -0.12 0.17 4.32 2.20 -1.25 -1.07 114.94 119.38 3d4k s ASN 55 Ca -0.01 0.18 0.22 0.00 -0.94 0.00 0.00 52.86 52.31 3d4k s ASN 55 Cb -0.04 0.30 0.89 0.00 -2.00 0.00 0.00 41.25 40.40 3d4k s ASN 55 CO 0.02 -0.15 1.68 -1.54 -2.94 0.00 0.00 177.10 174.17 3d4k n SER 56 N 2.54 0.48 0.12 3.54 3.41 0.14 -0.61 113.62 123.24 3d4k n SER 56 Ca -0.15 0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 3d4k n SER 56 Cb 0.58 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.86 0.00 -3.33 2.07 -1.91 -3.26 116.25 110.67 3d4k h VAL 57 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3d4k h VAL 57 Cb 0.41 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3d4k h VAL 57 CO 0.00 0.11 -1.16 0.47 0.02 0.00 0.00 177.57 177.02 3d4k n ASP 58 N -5.10 0.62 -3.66 0.57 8.00 -1.21 -4.98 116.55 110.77 3d4k n ASP 58 Ca -0.09 0.09 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 3d4k n ASP 58 Cb 0.22 0.80 0.04 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.34 -4.03 -4.33 -1.24 5.02 0.22 -4.88 118.16 106.58 3d4k n LYS 59 Ca 0.00 0.61 -0.21 0.00 -2.02 0.00 0.00 58.31 56.69 3d4k n LYS 59 Cb 0.51 -5.06 -0.16 0.00 -0.02 0.00 0.00 35.03 30.30 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 -5.83 1.14 -0.26 1.97 3.52 -1.24 -1.31 118.95 116.93 3d4k s ARG 60 Ca 0.12 -0.22 -0.09 0.00 -0.13 0.00 0.00 55.73 55.41 3d4k s ARG 60 Cb -0.03 -1.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.29 3d4k s ARG 60 CO 0.81 -0.03 0.13 -1.17 -0.81 0.00 0.00 175.30 174.23 3d4k s LEU 61 N 0.78 3.78 0.14 -0.88 2.96 -0.32 -3.91 118.68 121.23 3d4k s LEU 61 Ca -0.12 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3d4k s LEU 61 Cb -0.15 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3d4k s LEU 61 CO 0.02 -0.02 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.43 3d4k s SER 62 N 1.54 2.26 -0.03 3.68 0.01 -0.38 -0.97 113.70 119.81 3d4k s SER 62 Ca 0.06 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 56.35 3d4k s SER 62 Cb -0.15 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.00 3d4k s SER 62 CO 0.07 -0.12 0.27 0.00 0.41 0.00 0.00 173.24 173.87 3d4k s ALA 63 N -2.21 -0.67 -0.03 1.44 0.00 -0.32 -0.94 121.76 119.03 3d4k s ALA 63 Ca 0.12 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3d4k s ALA 63 Cb -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3d4k s ALA 63 CO 0.04 -0.22 -0.02 0.54 0.00 0.00 0.00 175.76 176.10 3d4k s VAL 64 N -1.03 0.30 -0.07 0.00 0.11 -0.21 -1.59 120.40 117.92 3d4k s VAL 64 Ca -0.11 0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.00 3d4k s VAL 64 Cb -0.05 -0.37 -0.00 0.00 -1.53 0.00 0.00 36.38 34.42 3d4k s VAL 64 CO 0.03 0.17 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.06 3d4k s VAL 65 N 0.96 1.84 0.20 2.04 1.01 -0.08 -0.90 120.40 125.46 3d4k s VAL 65 Ca -0.11 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 3d4k s VAL 65 Cb -0.14 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3d4k s VAL 65 CO -0.01 0.51 0.52 -0.94 0.00 0.00 0.00 175.10 175.19 3d4k s SER 66 N 0.08 -0.25 0.07 3.32 1.04 0.01 -1.08 113.70 116.88 3d4k s SER 66 Ca -0.09 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 55.94 3d4k s SER 66 Cb -0.14 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 3d4k s SER 66 CO 0.05 -1.06 -0.24 -0.31 0.98 0.00 0.00 173.24 172.66 3d4k s TYR 67 N -3.88 2.12 0.28 5.02 2.02 -1.26 -0.61 117.35 121.04 3d4k s TYR 67 Ca 0.10 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 3d4k s TYR 67 Cb -0.01 -1.23 -0.14 0.00 -0.40 0.00 0.00 41.96 40.18 3d4k s TYR 67 CO -0.02 0.17 1.15 -2.30 -1.57 0.00 0.00 175.55 172.98 3d4k n PRO 68 N 1.53 1.62 -3.70 -1.71 -0.02 -1.26 -2.73 135.00 128.73 3d4k n PRO 68 Ca -0.17 0.57 -0.23 0.00 -2.02 0.00 0.00 63.50 61.65 3d4k n PRO 68 Cb 0.53 -2.05 0.03 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.30 -1.95 -3.51 2.55 4.13 -1.26 -5.00 115.26 111.52 3d4k n ASN 69 Ca 0.09 -0.87 -0.16 0.00 1.68 0.00 0.00 54.58 55.33 3d4k n ASN 69 Cb 0.32 -3.90 -0.05 0.00 -1.54 0.00 0.00 39.78 34.61 3d4k n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d4k s ALA 70 N -3.66 -1.62 0.36 5.41 0.00 -1.10 -5.14 121.76 116.00 3d4k s ALA 70 Ca 0.10 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.73 3d4k s ALA 70 Cb -0.03 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.28 3d4k s ALA 70 CO 0.82 -0.49 1.35 -0.51 0.00 0.00 0.00 175.76 176.94 3d4k s ASP 71 N -1.71 6.55 0.43 0.00 1.11 -1.26 -4.65 116.67 117.13 3d4k s ASP 71 Ca -0.07 2.77 -0.01 0.00 0.18 0.00 0.00 52.55 55.41 3d4k s ASP 71 Cb -0.01 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.31 3d4k s ASP 71 CO 0.02 -0.70 0.66 -0.94 1.18 0.00 0.00 175.17 175.40 3d4k s SER 72 N -0.47 6.09 -0.12 0.27 1.04 -1.26 -4.75 113.70 114.50 3d4k s SER 72 Ca 0.52 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 57.45 3d4k s SER 72 Cb -0.41 -1.89 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 3d4k s SER 72 CO 0.54 -0.54 -0.05 0.00 0.98 0.00 0.00 173.24 174.17 3d4k s ALA 73 N -2.53 3.00 0.06 5.32 0.00 -0.24 -4.97 121.76 122.40 3d4k s ALA 73 Ca 0.45 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3d4k s ALA 73 Cb -0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3d4k s ALA 73 CO 0.39 0.36 -0.13 0.99 0.00 0.00 0.00 175.76 177.37 3d4k s THR 74 N -0.11 1.00 -0.14 0.00 2.01 -1.26 -0.90 115.64 116.24 3d4k s THR 74 Ca 0.02 -1.17 -0.11 0.00 0.31 0.00 0.00 61.69 60.74 3d4k s THR 74 Cb -0.13 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.46 3d4k s THR 74 CO 0.03 -0.19 0.36 0.54 -0.69 0.00 0.00 174.62 174.66 3d4k s VAL 75 N -1.17 -0.01 0.03 3.82 0.11 -0.62 -4.73 120.40 117.84 3d4k s VAL 75 Ca -0.02 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3d4k s VAL 75 Cb -0.09 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 3d4k s VAL 75 CO 0.02 0.01 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.29 3d4k s SER 76 N 0.45 0.70 -0.10 3.54 0.01 -1.26 -1.17 113.70 115.86 3d4k s SER 76 Ca -0.02 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 3d4k s SER 76 Cb -0.04 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.26 3d4k s SER 76 CO -0.02 -0.18 0.26 -0.47 0.41 0.00 0.00 173.24 173.23 3d4k s TYR 77 N -1.20 -0.33 -0.03 2.43 5.04 -0.15 -4.96 117.35 118.15 3d4k s TYR 77 Ca -0.09 0.78 -0.30 0.00 -2.44 0.00 0.00 57.07 55.01 3d4k s TYR 77 Cb -0.09 0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.26 3d4k s TYR 77 CO 0.00 -0.20 1.15 -0.51 -1.34 0.00 0.00 175.55 174.64 3d4k s ASP 78 N 0.86 7.12 -0.28 4.32 1.11 -1.26 -1.17 116.67 127.37 3d4k s ASP 78 Ca -0.06 1.80 -0.19 0.00 0.18 0.00 0.00 52.55 54.28 3d4k s ASP 78 Cb -0.07 -2.56 0.10 0.00 1.07 0.00 0.00 42.92 41.46 3d4k s ASP 78 CO -0.06 -0.50 0.83 0.54 1.18 0.00 0.00 175.17 177.17 3d4k s VAL 79 N 1.77 0.00 -0.54 -1.27 0.11 -0.43 -4.95 120.40 115.09 3d4k s VAL 79 Ca 0.55 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.42 3d4k s VAL 79 Cb -0.24 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.70 3d4k s VAL 79 CO 0.24 0.00 0.60 -0.62 -3.33 0.00 0.00 175.10 171.98 3d4k s ASP 80 N 1.09 6.19 0.61 3.54 -1.08 -1.26 -4.23 116.67 121.53 3d4k s ASP 80 Ca -0.06 -1.34 0.33 0.00 -0.52 0.00 0.00 52.55 50.97 3d4k s ASP 80 Cb -0.05 -2.26 1.92 0.00 -1.46 0.00 0.00 42.92 41.07 3d4k s ASP 80 CO -0.13 -0.93 2.24 -0.07 0.52 0.00 0.00 175.17 176.81 3d4k h LEU 81 N 9.51 0.00 -2.06 -1.34 3.38 -1.97 -1.57 115.31 121.26 3d4k h LEU 81 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3d4k h LEU 81 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3d4k h LEU 81 CO 1.02 0.00 -0.03 0.44 0.09 0.00 0.00 178.44 179.96 3d4k h ASP 82 N 0.00 0.00 -0.35 -0.43 5.19 -1.91 -0.82 116.42 118.09 3d4k h ASP 82 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3d4k h ASP 82 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3d4k h ASP 82 CO -0.00 0.03 0.00 -3.20 -3.12 0.00 0.00 179.24 172.95 3d4k n ASN 83 N -4.31 3.34 -0.01 6.45 5.15 -0.60 -4.61 115.26 120.68 3d4k n ASN 83 Ca -0.03 -1.98 -0.04 0.00 -0.60 0.00 0.00 54.58 51.93 3d4k n ASN 83 Cb 0.12 -0.23 -0.01 0.00 -0.53 0.00 0.00 39.78 39.13 3d4k n ASN 83 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3d4k n VAL 84 N 1.42 0.29 -3.92 3.44 0.31 -0.48 -5.08 118.33 114.32 3d4k n VAL 84 Ca 0.19 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.30 3d4k n VAL 84 Cb 0.59 -1.56 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 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 -6.27 4.29 0.80 7.52 1.43 -0.44 -4.96 118.68 121.05 3d4k s LEU 85 Ca -0.05 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3d4k s LEU 85 Cb 0.02 -2.88 0.07 0.00 0.03 0.00 0.00 46.19 43.43 3d4k s LEU 85 CO 0.06 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.48 3d4k s PRO 86 N -4.01 2.07 0.21 1.29 0.04 -1.26 -4.76 135.00 128.58 3d4k s PRO 86 Ca 0.35 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 3d4k s PRO 86 Cb -0.09 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 32.81 3d4k s PRO 86 CO 0.29 -1.65 1.75 1.49 0.04 0.00 0.00 177.00 178.93 3d4k h GLU 87 N -1.11 0.42 -5.85 4.56 4.81 -1.94 -3.41 114.58 112.07 3d4k h GLU 87 Ca -0.47 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.06 3d4k h GLU 87 Cb 1.26 -0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 3d4k h GLU 87 CO 0.58 0.28 -0.61 -1.58 -0.73 0.00 0.00 179.01 176.95 3d4k s TRP 88 N -6.09 3.19 0.33 0.92 0.52 -1.26 -2.29 118.94 114.27 3d4k s TRP 88 Ca -0.13 0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.18 3d4k s TRP 88 Cb 0.17 -1.83 -0.00 0.00 -1.15 0.00 0.00 33.47 30.65 3d4k s TRP 88 CO 0.75 0.43 0.41 1.33 0.02 0.00 0.00 176.95 179.89 3d4k n VAL 89 N 2.33 0.00 -4.35 4.03 0.24 -0.49 -4.30 118.33 115.78 3d4k n VAL 89 Ca -0.18 -1.90 -0.22 0.00 -2.04 0.00 0.00 64.34 60.00 3d4k n VAL 89 Cb 0.54 1.09 -0.13 0.00 -1.47 0.00 0.00 33.84 33.87 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 -2.93 1.04 0.09 7.34 0.52 -0.40 0.47 118.95 125.09 3d4k s ARG 90 Ca 0.31 -0.94 0.08 0.00 -0.52 0.00 0.00 55.73 54.66 3d4k s ARG 90 Cb -0.00 -1.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.29 3d4k s ARG 90 CO 0.22 0.27 -0.15 0.14 0.02 0.00 0.00 175.30 175.80 3d4k s VAL 91 N -1.01 3.02 0.15 3.52 -7.23 -1.26 -1.53 120.40 116.07 3d4k s VAL 91 Ca 0.03 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.77 3d4k s VAL 91 Cb -0.09 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.53 3d4k s VAL 91 CO 0.02 0.18 0.55 0.61 -0.31 0.00 0.00 175.10 176.15 3d4k n GLY 92 N 1.00 1.08 3.24 2.32 0.00 -0.43 -0.98 105.19 111.41 3d4k n GLY 92 Ca -0.15 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 2.08 0.10 0.99 1.43 -0.07 -0.79 118.68 122.42 3d4k s LEU 93 Ca 0.12 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3d4k s LEU 93 Cb -0.02 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 3d4k s LEU 93 CO 0.05 0.23 -0.07 -0.55 0.23 0.00 0.00 176.35 176.24 3d4k s SER 94 N -0.72 1.12 0.06 2.29 0.15 0.00 -1.09 113.70 115.51 3d4k s SER 94 Ca 0.08 -0.99 -0.26 0.00 0.70 0.00 0.00 55.95 55.48 3d4k s SER 94 Cb -0.08 0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.41 3d4k s SER 94 CO 0.00 -0.45 0.76 0.00 1.20 0.00 0.00 173.24 174.74 3d4k s ALA 95 N -3.52 -1.73 0.29 5.45 0.00 -0.76 -0.68 121.76 120.82 3d4k s ALA 95 Ca 0.11 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 3d4k s ALA 95 Cb 0.05 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.77 3d4k s ALA 95 CO -0.05 -0.70 0.64 -1.54 0.00 0.00 0.00 175.76 174.11 3d4k s SER 96 N -2.53 -0.07 0.17 0.00 1.04 -1.10 -2.19 113.70 109.03 3d4k s SER 96 Ca 0.03 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 55.49 3d4k s SER 96 Cb -0.01 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 3d4k s SER 96 CO -0.10 -1.35 0.30 0.42 0.98 0.00 0.00 173.24 173.49 3d4k s THR 97 N -3.59 0.06 0.00 2.02 -4.23 -0.41 -0.77 115.64 108.72 3d4k s THR 97 Ca 0.17 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3d4k s THR 97 Cb -0.04 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.91 3d4k s THR 97 CO 0.09 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3d4k n GLY 98 N -0.23 3.57 0.23 3.99 0.00 -1.26 -0.83 105.19 110.65 3d4k n GLY 98 Ca -0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 0.85-10.05 0.99 5.85 -1.97 -0.11 115.31 110.87 3d4k h LEU 99 Ca 0.00 -0.51 -0.54 0.00 0.84 0.00 0.00 57.88 57.68 3d4k h LEU 99 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3d4k h LEU 99 CO 0.00 1.19 -0.47 -0.31 -0.34 0.00 0.00 178.44 178.51 3d4k s TYR 100 N -4.23 3.48 0.23 1.25 2.02 -1.26 -4.87 117.35 113.98 3d4k s TYR 100 Ca -0.12 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 3d4k s TYR 100 Cb 0.09 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 3d4k s TYR 100 CO 0.86 0.51 0.12 0.36 -1.57 0.00 0.00 175.55 175.83 3d4k n LYS 101 N -0.57 0.56 -3.63 -0.62 0.00 -1.25 -4.36 118.16 108.29 3d4k n LYS 101 Ca -0.07 -2.08 -0.03 0.00 -0.00 0.00 0.00 58.31 56.13 3d4k n LYS 101 Cb 0.54 1.32 -0.02 0.00 -0.00 0.00 0.00 35.03 36.86 3d4k n LYS 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3d4k s GLU 102 N -2.91 0.10 0.24 -1.58 -1.05 -1.09 -2.86 118.70 109.55 3d4k s GLU 102 Ca 0.16 -0.03 -0.24 0.00 -0.15 0.00 0.00 54.97 54.71 3d4k s GLU 102 Cb 0.01 0.05 -0.09 0.00 -0.44 0.00 0.00 34.13 33.66 3d4k s GLU 102 CO 0.12 -0.04 0.83 0.95 0.95 0.00 0.00 175.26 178.06 3d4k s THR 103 N -1.93 4.35 -0.57 1.83 -4.23 0.23 -4.75 115.64 110.58 3d4k s THR 103 Ca 0.11 1.65 0.06 0.00 -1.18 0.00 0.00 61.69 62.33 3d4k s THR 103 Cb -0.01 -4.04 0.30 0.00 1.34 0.00 0.00 72.50 70.09 3d4k s THR 103 CO -0.04 0.31 0.81 0.59 -0.54 0.00 0.00 174.62 175.75 3d4k n ASN 104 N 1.01 3.44 -4.72 3.99 5.03 -1.26 -3.64 115.26 119.11 3d4k n ASN 104 Ca -0.02 -3.43 -0.40 0.00 0.87 0.00 0.00 54.58 51.60 3d4k n ASN 104 Cb 0.50 -0.62 -0.04 0.00 -1.02 0.00 0.00 39.78 38.59 3d4k n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3d4k s THR 105 N -3.17 4.97 -0.24 3.41 2.01 -1.16 -1.99 115.64 119.47 3d4k s THR 105 Ca 0.43 1.56 -0.04 0.00 0.31 0.00 0.00 61.69 63.95 3d4k s THR 105 Cb 0.22 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 3d4k s THR 105 CO -0.08 0.26 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.47 3d4k s ILE 106 N 0.67 3.49 -0.19 1.82 -1.09 0.10 -0.87 121.20 125.14 3d4k s ILE 106 Ca 0.40 -0.60 0.22 0.00 -2.23 0.00 0.00 60.65 58.43 3d4k s ILE 106 Cb -0.19 -2.67 -0.08 0.00 -1.58 0.00 0.00 42.46 37.94 3d4k s ILE 106 CO 0.20 0.30 0.91 0.18 -1.23 0.00 0.00 174.94 175.31 3d4k n LEU 107 N 4.80 0.68 -3.51 2.97 4.77 -0.49 -1.57 117.00 124.64 3d4k n LEU 107 Ca -0.17 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3d4k n LEU 107 Cb 0.50 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3d4k n LEU 107 CO 0.29 -0.13 0.58 -0.94 -1.33 0.00 0.00 177.39 175.86 3d4k s SER 108 N -5.21 -0.50 -0.25 -1.43 1.04 -1.24 -4.42 113.70 101.68 3d4k s SER 108 Ca -0.02 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 3d4k s SER 108 Cb 0.10 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.77 3d4k s SER 108 CO 0.82 -0.60 0.58 0.86 0.98 0.00 0.00 173.24 175.87 3d4k s TRP 109 N -2.03 -1.06 0.12 5.02 -0.00 -0.23 -1.69 118.94 119.08 3d4k s TRP 109 Ca -0.03 1.97 0.07 0.00 -0.00 0.00 0.00 56.10 58.10 3d4k s TRP 109 Cb -0.01 0.58 -0.04 0.00 -0.00 0.00 0.00 33.47 34.01 3d4k s TRP 109 CO -0.00 -0.55 -0.16 -1.54 -0.00 0.00 0.00 176.95 174.70 3d4k s SER 110 N 2.31 2.14 -0.13 5.86 1.04 0.86 -0.86 113.70 124.93 3d4k s SER 110 Ca -0.07 -0.78 -0.17 0.00 0.48 0.00 0.00 55.95 55.41 3d4k s SER 110 Cb -0.10 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 65.98 3d4k s SER 110 CO -0.17 -0.09 0.45 0.12 0.98 0.00 0.00 173.24 174.53 3d4k s PHE 111 N -1.92 -0.45 -0.08 5.02 2.19 -0.42 -1.29 117.98 121.04 3d4k s PHE 111 Ca 0.09 1.02 -0.03 0.00 0.33 0.00 0.00 56.93 58.33 3d4k s PHE 111 Cb -0.06 0.18 0.04 0.00 -1.31 0.00 0.00 43.02 41.87 3d4k s PHE 111 CO 0.04 -0.32 0.17 0.99 1.83 0.00 0.00 175.22 177.93 3d4k s THR 112 N -0.25 -0.07 -0.00 0.12 2.01 -0.55 -1.44 115.64 115.46 3d4k s THR 112 Ca -0.04 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.18 3d4k s THR 112 Cb -0.03 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 3d4k s THR 112 CO 0.02 0.08 -0.11 -0.94 -0.69 0.00 0.00 174.62 172.99 3d4k s SER 113 N 1.32 1.25 -0.00 3.53 1.04 -0.08 -1.28 113.70 119.48 3d4k s SER 113 Ca -0.08 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.16 3d4k s SER 113 Cb -0.11 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 3d4k s SER 113 CO -0.07 0.12 -0.06 -0.54 0.98 0.00 0.00 173.24 173.67 3d4k s LYS 114 N -0.32 0.51 -0.08 4.02 1.02 -0.21 -1.38 119.74 123.31 3d4k s LYS 114 Ca 0.04 -0.27 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 3d4k s LYS 114 Cb -0.04 -0.48 0.02 0.00 -0.52 0.00 0.00 37.83 36.81 3d4k s LYS 114 CO -0.00 0.13 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.00 3d4k s LEU 115 N -0.26 1.03 -0.23 3.17 1.43 0.05 -1.94 118.68 121.93 3d4k s LEU 115 Ca 0.02 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 3d4k s LEU 115 Cb -0.03 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 3d4k s LEU 115 CO -0.00 -0.12 0.07 -0.54 0.23 0.00 0.00 176.35 175.99 3d4k s LYS 116 N 1.56 3.77 0.49 1.70 3.01 -0.35 -0.57 119.74 129.36 3d4k s LYS 116 Ca 0.00 -0.43 -0.24 0.00 -1.01 0.00 0.00 55.97 54.30 3d4k s LYS 116 Cb -0.13 -3.30 -0.07 0.00 -1.01 0.00 0.00 37.83 33.32 3d4k s LYS 116 CO -0.04 -0.03 1.38 0.45 0.51 0.00 0.00 175.35 177.61 3d4k s SER 117 N 1.21 5.65 0.08 2.83 0.15 0.58 0.42 113.70 124.61 3d4k s SER 117 Ca 0.05 2.80 0.24 0.00 0.70 0.00 0.00 55.95 59.74 3d4k s SER 117 Cb -0.14 -2.64 0.33 0.00 -1.71 0.00 0.00 66.02 61.85 3d4k s SER 117 CO 0.04 -1.32 1.29 -3.20 1.20 0.00 0.00 173.24 171.25 3d4k n ASN 118 N -0.55 0.63 -0.08 5.45 5.15 0.65 -1.57 115.26 124.94 3d4k n ASN 118 Ca 0.07 -0.02 -0.23 0.00 -0.60 0.00 0.00 54.58 53.81 3d4k n ASN 118 Cb 0.44 0.30 -0.12 0.00 -0.53 0.00 0.00 39.78 39.87 3d4k n ASN 118 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3d4k n SER 119 N -1.94 1.95 -0.09 1.20 2.88 -1.26 -4.60 113.62 111.75 3d4k n SER 119 Ca 0.03 0.33 0.04 0.00 -1.33 0.00 0.00 58.87 57.94 3d4k n SER 119 Cb 0.42 -0.90 -0.02 0.00 -0.75 0.00 0.00 64.21 62.95 3d4k n SER 119 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3d4k n THR 120 N -4.11 0.00 -1.24 2.46 -2.24 -1.26 -4.99 114.28 102.90 3d4k n THR 120 Ca -0.35 -0.36 -0.08 0.00 -2.27 0.00 0.00 64.05 60.98 3d4k n THR 120 Cb 0.82 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.76 0.00 -2.22 4.78 -0.00 -0.61 -4.97 115.22 111.45 3d4k n HIS 121 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.45 3d4k n HIS 121 Cb 0.15 -2.30 0.01 0.00 -0.00 0.00 0.00 29.99 27.84 3d4k n HIS 121 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3d4k s GLU 122 N -2.52 3.48 0.08 -0.41 2.02 -1.26 -4.59 118.70 115.50 3d4k s GLU 122 Ca 0.00 0.46 0.09 0.00 0.02 0.00 0.00 54.97 55.53 3d4k s GLU 122 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3d4k s GLU 122 CO 0.00 -0.46 -0.21 0.99 0.02 0.00 0.00 175.26 175.60 3d4k s THR 123 N -3.00 2.63 -0.06 3.63 2.01 -1.26 -0.31 115.64 119.28 3d4k s THR 123 Ca 0.52 -1.42 0.03 0.00 0.31 0.00 0.00 61.69 61.13 3d4k s THR 123 Cb -0.11 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 3d4k s THR 123 CO 0.50 0.22 -0.13 0.20 -0.69 0.00 0.00 174.62 174.71 3d4k s ASN 124 N -1.76 4.10 0.07 3.53 -0.87 0.27 -4.96 114.94 115.31 3d4k s ASN 124 Ca 0.15 -0.19 -0.09 0.00 -1.57 0.00 0.00 52.86 51.16 3d4k s ASN 124 Cb -0.10 -0.97 0.00 0.00 -0.02 0.00 0.00 41.25 40.16 3d4k s ASN 124 CO 0.07 0.33 0.20 0.00 -2.57 0.00 0.00 177.10 175.13 3d4k s ALA 125 N -0.62 -0.32 -0.03 0.60 0.00 -1.26 -0.77 121.76 119.36 3d4k s ALA 125 Ca 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 3d4k s ALA 125 Cb -0.11 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3d4k s ALA 125 CO 0.01 -0.45 0.06 -1.17 0.00 0.00 0.00 175.76 174.21 3d4k s LEU 126 N -2.54 1.48 -0.12 0.00 2.96 -0.48 -5.00 118.68 114.99 3d4k s LEU 126 Ca 0.01 0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.95 3d4k s LEU 126 Cb 0.02 0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.91 3d4k s LEU 126 CO -0.08 -0.06 0.30 -2.28 -1.32 0.00 0.00 176.35 172.91 3d4k s HIS 127 N 0.42 -0.37 -0.01 5.38 5.65 -1.26 -0.90 115.29 124.20 3d4k s HIS 127 Ca -0.03 0.87 -0.05 0.00 0.25 0.00 0.00 55.06 56.10 3d4k s HIS 127 Cb -0.05 0.12 0.00 0.00 -1.18 0.00 0.00 32.58 31.47 3d4k s HIS 127 CO -0.01 -0.20 0.09 -0.59 -0.65 0.00 0.00 174.74 173.38 3d4k s PHE 128 N 0.60 0.03 -0.04 3.88 -0.12 -0.52 -5.00 117.98 116.82 3d4k s PHE 128 Ca -0.04 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.77 3d4k s PHE 128 Cb -0.05 -0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3d4k s PHE 128 CO -0.04 -0.19 0.03 1.41 -0.05 0.00 0.00 175.22 176.39 3d4k s MET 129 N -0.92 0.08 -0.25 1.99 1.75 -1.26 -1.30 119.30 119.39 3d4k s MET 129 Ca -0.10 0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.58 3d4k s MET 129 Cb -0.06 -0.48 0.04 0.00 2.84 0.00 0.00 34.83 37.18 3d4k s MET 129 CO 0.01 -0.24 -0.10 -0.06 -0.65 0.00 0.00 175.02 173.98 3d4k s PHE 130 N 1.58 3.14 -0.77 4.11 0.08 -0.04 -4.92 117.98 121.16 3d4k s PHE 130 Ca -0.02 -1.99 0.08 0.00 0.12 0.00 0.00 56.93 55.12 3d4k s PHE 130 Cb -0.13 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 3d4k s PHE 130 CO -0.03 -0.83 0.60 0.09 -0.10 0.00 0.00 175.22 174.95 3d4k n ASN 131 N 4.54 1.21 -3.66 1.36 3.02 -1.26 -1.06 115.26 119.40 3d4k n ASN 131 Ca -0.16 -1.10 -0.10 0.00 -0.03 0.00 0.00 54.58 53.19 3d4k n ASN 131 Cb 0.45 0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.88 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 -1.01 0.64 -0.08 3.52 0.74 -1.26 -4.80 119.66 117.42 3d4k s GLN 132 Ca 0.07 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.50 3d4k s GLN 132 Cb 0.06 0.17 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 3d4k s GLN 132 CO 0.17 -0.13 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.65 3d4k s PHE 133 N 1.18 2.94 0.27 1.67 0.08 0.61 -5.02 117.98 119.71 3d4k s PHE 133 Ca -0.07 -0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.05 3d4k s PHE 133 Cb -0.06 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3d4k s PHE 133 CO -0.12 0.30 0.20 -1.54 -0.10 0.00 0.00 175.22 173.96 3d4k s SER 134 N -0.71 5.41 0.35 1.36 1.04 -1.26 -3.81 113.70 116.07 3d4k s SER 134 Ca 0.11 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.32 3d4k s SER 134 Cb -0.11 -1.28 0.90 0.00 0.10 0.00 0.00 66.02 65.63 3d4k s SER 134 CO 0.02 -0.10 1.80 0.11 0.98 0.00 0.00 173.24 176.05 3d4k h LYS 135 N 1.47 0.58 -2.63 4.02 6.56 -1.85 -3.04 116.57 121.67 3d4k h LYS 135 Ca -0.47 -0.03 -0.61 0.00 -1.06 0.00 0.00 60.65 58.47 3d4k h LYS 135 Cb 1.24 -0.13 -0.42 0.00 -0.57 0.00 0.00 32.23 32.36 3d4k h LYS 135 CO 0.60 0.38 -0.64 -3.47 -2.06 0.00 0.00 179.45 174.26 3d4k n ASP 136 N -4.66 2.86 -4.52 0.86 2.03 -1.26 -4.68 116.55 107.18 3d4k n ASP 136 Ca 0.22 -3.21 -0.42 0.00 0.52 0.00 0.00 54.79 51.90 3d4k n ASP 136 Cb 0.66 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 40.33 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 -1.71 3.69 0.56 -0.67 2.00 -1.15 -4.88 119.66 117.51 3d4k s GLN 137 Ca 0.32 -1.58 0.38 0.00 -2.00 0.00 0.00 55.36 52.48 3d4k s GLN 137 Cb 0.05 -5.21 2.05 0.00 0.80 0.00 0.00 33.01 30.70 3d4k s GLN 137 CO -0.11 -2.03 2.16 0.87 -0.50 0.00 0.00 175.29 175.68 3d4k h LYS 138 N 8.95 0.00 -0.63 1.67 1.57 -1.95 -2.10 116.57 124.09 3d4k h LYS 138 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3d4k h LYS 138 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3d4k h LYS 138 CO 1.31 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.79 3d4k n ASP 139 N -2.83 3.59 -4.12 0.86 5.68 -1.26 -4.84 116.55 113.62 3d4k n ASP 139 Ca -0.02 -2.36 -0.23 0.00 -0.50 0.00 0.00 54.79 51.67 3d4k n ASP 139 Cb 0.06 -0.50 -0.15 0.00 -1.14 0.00 0.00 41.12 39.39 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 -1.50 1.99 -0.33 -2.12 1.43 -0.79 -0.90 118.68 116.45 3d4k s LEU 140 Ca 0.36 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 3d4k s LEU 140 Cb 0.24 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.67 3d4k s LEU 140 CO 0.16 0.17 0.17 -0.63 0.23 0.00 0.00 176.35 176.45 3d4k s ILE 141 N -0.24 4.54 -0.11 -0.59 1.01 0.22 -4.87 121.20 121.16 3d4k s ILE 141 Ca 0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 3d4k s ILE 141 Cb -0.07 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 3d4k s ILE 141 CO -0.00 -0.04 0.25 -0.76 0.00 0.00 0.00 174.94 174.39 3d4k s LEU 142 N 1.58 4.34 0.10 2.97 1.43 -1.26 -0.87 118.68 126.98 3d4k s LEU 142 Ca 0.03 0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.76 3d4k s LEU 142 Cb -0.18 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 3d4k s LEU 142 CO 0.06 0.27 -0.17 -1.10 0.23 0.00 0.00 176.35 175.64 3d4k s GLN 143 N -0.42 1.00 6.52 1.70 -0.21 0.18 -4.99 119.66 123.45 3d4k s GLN 143 Ca 0.17 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.42 3d4k s GLN 143 Cb -0.13 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 32.81 3d4k s GLN 143 CO 0.05 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 3d4k n GLY 144 N 0.96 2.82 0.16 3.09 0.00 -1.26 -1.72 105.19 109.23 3d4k n GLY 144 Ca -0.19 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 3.05 0.49 -4.75 1.61 8.00 0.38 -4.94 116.55 120.39 3d4k n ASP 145 Ca 0.00 -1.29 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 3d4k n ASP 145 Cb 0.00 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.98 3.72 0.05 2.24 0.00 -1.07 -4.41 121.76 120.32 3d4k s ALA 146 Ca 0.39 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 53.86 3d4k s ALA 146 Cb 0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3d4k s ALA 146 CO 0.31 -0.93 -0.02 0.95 0.00 0.00 0.00 175.76 176.07 3d4k s THR 147 N 0.01 0.20 0.08 0.00 -4.23 -0.44 -4.72 115.64 106.54 3d4k s THR 147 Ca 0.63 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 3d4k s THR 147 Cb -0.47 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 3d4k s THR 147 CO 0.47 -0.90 -0.08 0.42 -0.54 0.00 0.00 174.62 173.98 3d4k s THR 148 N -3.49 0.75 0.00 3.99 -4.23 -1.26 -0.80 115.64 110.60 3d4k s THR 148 Ca 0.03 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 3d4k s THR 148 Cb 0.05 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.63 3d4k s THR 148 CO -0.08 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 3d4k n GLY 149 N 0.61 3.56 3.63 3.99 0.00 -1.06 -3.89 105.19 112.04 3d4k n GLY 149 Ca -0.17 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 3.03 -2.13 2.61 2.01 -1.26 -1.49 115.64 118.41 3d4k s THR 150 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3d4k s THR 150 Cb 0.00 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3d4k s THR 150 CO 0.00 -0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.39 3d4k n ASP 151 N 9.30 -5.31 -0.79 3.53 8.00 -1.26 -1.03 116.55 128.99 3d4k n ASP 151 Ca 0.24 0.50 -0.10 0.00 0.71 0.00 0.00 54.79 56.13 3d4k n ASP 151 Cb 0.43 -4.70 -0.04 0.00 -0.02 0.00 0.00 41.12 36.79 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 -0.37 1.15 3.79 0.44 0.00 -0.56 -4.94 105.19 104.71 3d4k n GLY 152 Ca -0.20 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.89 4.93 -0.32 1.61 0.01 -0.19 -0.29 114.94 117.80 3d4k s ASN 153 Ca 0.00 -0.69 -0.07 0.00 -0.71 0.00 0.00 52.86 51.39 3d4k s ASN 153 Cb 0.00 -0.78 0.02 0.00 0.41 0.00 0.00 41.25 40.90 3d4k s ASN 153 CO 0.00 -0.37 0.11 -0.22 -1.51 0.00 0.00 177.10 175.10 3d4k s LEU 154 N -3.94 4.16 -0.53 0.60 2.96 -0.61 -2.58 118.68 118.75 3d4k s LEU 154 Ca 0.40 -0.93 -0.18 0.00 -0.22 0.00 0.00 54.13 53.20 3d4k s LEU 154 Cb -0.03 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.84 3d4k s LEU 154 CO 0.25 -0.27 0.60 -1.61 -1.32 0.00 0.00 176.35 173.99 3d4k s GLU 155 N 1.46 3.06 0.24 1.98 0.41 0.02 -0.72 118.70 125.15 3d4k s GLU 155 Ca 0.01 -1.17 -0.05 0.00 -0.41 0.00 0.00 54.97 53.35 3d4k s GLU 155 Cb -0.18 -4.17 0.26 0.00 -1.78 0.00 0.00 34.13 28.25 3d4k s GLU 155 CO 0.03 -1.30 1.80 -0.07 -0.49 0.00 0.00 175.26 175.23 3d4k h LEU 156 N 9.56 0.98 -9.47 1.80 3.38 -1.66 -1.16 115.31 118.74 3d4k h LEU 156 Ca -0.28 -0.16 -0.61 0.00 0.09 0.00 0.00 57.88 56.91 3d4k h LEU 156 Cb 1.10 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 3d4k h LEU 156 CO 1.00 0.89 -0.67 0.42 0.09 0.00 0.00 178.44 180.17 3d4k s THR 157 N -5.43 2.32 0.24 0.22 -4.23 -1.26 -2.60 115.64 104.90 3d4k s THR 157 Ca -0.11 -2.16 -0.31 0.00 -1.18 0.00 0.00 61.69 57.92 3d4k s THR 157 Cb 0.16 -2.68 -0.13 0.00 1.34 0.00 0.00 72.50 71.19 3d4k s THR 157 CO 0.82 -0.20 1.55 -1.14 -0.54 0.00 0.00 174.62 175.12 3d4k n ARG 158 N -0.83 2.40 -3.85 3.99 0.63 -1.26 -4.77 116.66 112.97 3d4k n ARG 158 Ca -0.05 0.86 -0.12 0.00 -0.92 0.00 0.00 57.85 57.62 3d4k n ARG 158 Cb 0.63 -2.61 -0.11 0.00 0.45 0.00 0.00 32.46 30.82 3d4k n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3d4k s VAL 159 N 0.32 0.04 1.05 5.15 1.01 -1.26 -1.63 120.40 125.08 3d4k s VAL 159 Ca 0.70 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 3d4k s VAL 159 Cb -0.58 -0.31 0.23 0.00 0.00 0.00 0.00 36.38 35.72 3d4k s VAL 159 CO 0.44 -0.19 1.21 -0.94 0.00 0.00 0.00 175.10 175.62 3d4k s SER 160 N -0.63 2.28 0.57 3.32 1.04 0.12 -4.86 113.70 115.54 3d4k s SER 160 Ca -0.07 0.52 0.32 0.00 0.48 0.00 0.00 55.95 57.20 3d4k s SER 160 Cb -0.04 -0.72 1.72 0.00 0.10 0.00 0.00 66.02 67.07 3d4k s SER 160 CO 0.01 -3.27 2.16 0.77 0.98 0.00 0.00 173.24 173.89 3d4k h SER 161 N -2.00 0.00 1.08 7.02 4.64 -2.02 -1.99 113.55 120.27 3d4k h SER 161 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3d4k h SER 161 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3d4k h SER 161 CO 0.40 0.06 -0.85 -0.55 -0.87 0.00 0.00 176.83 175.02 3d4k h ASN 162 N 0.00 0.00 0.00 4.97 7.08 -2.06 -3.47 115.58 122.09 3d4k h ASN 162 Ca -0.00 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 3d4k h ASN 162 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 3d4k h ASN 162 CO 0.01 0.02 0.00 0.61 -2.08 0.00 0.00 177.43 175.98 3d4k n GLY 163 N 1.19 1.46 3.69 9.14 0.00 -0.75 -5.11 105.19 114.83 3d4k n GLY 163 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3d4k n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d4k s SER 164 N -2.00 6.99 0.45 1.61 0.15 -1.26 -4.75 113.70 114.89 3d4k s SER 164 Ca 0.00 1.20 -0.22 0.00 0.70 0.00 0.00 55.95 57.63 3d4k s SER 164 Cb 0.00 -2.44 -0.09 0.00 -1.71 0.00 0.00 66.02 61.78 3d4k s SER 164 CO 0.00 -0.26 1.03 -2.16 1.20 0.00 0.00 173.24 173.06 3d4k s PRO 165 N 1.46 3.98 0.17 5.44 0.04 -1.26 0.16 135.00 144.99 3d4k s PRO 165 Ca 0.38 1.39 0.09 0.00 0.04 0.00 0.00 61.00 62.91 3d4k s PRO 165 Cb -0.17 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 3d4k s PRO 165 CO 0.16 -0.28 -0.09 -0.65 0.04 0.00 0.00 177.00 176.18 3d4k s GLN 166 N -2.95 2.08 0.86 4.56 -1.52 -0.64 -4.84 119.66 117.20 3d4k s GLN 166 Ca 0.63 -1.24 -0.08 0.00 -1.95 0.00 0.00 55.36 52.72 3d4k s GLN 166 Cb -0.18 -2.18 0.18 0.00 -0.22 0.00 0.00 33.01 30.61 3d4k s GLN 166 CO 0.22 0.44 1.18 0.20 -0.25 0.00 0.00 175.29 177.08 3d4k s GLY 167 N -2.79 1.78 -1.52 3.09 0.00 -1.26 -4.43 107.32 102.19 3d4k s GLY 167 Ca 0.25 -1.57 -0.06 0.00 0.00 0.00 0.00 44.72 43.34 3d4k s GLY 167 CO 0.15 -0.86 0.44 1.44 0.00 0.00 0.00 173.10 174.27 3d4k n SER 168 N -3.35 -0.90 -4.35 1.64 7.64 -0.05 -4.85 113.62 109.40 3d4k n SER 168 Ca 0.16 -1.06 -0.24 0.00 1.01 0.00 0.00 58.87 58.74 3d4k n SER 168 Cb 0.60 -2.67 -0.12 0.00 -1.01 0.00 0.00 64.21 61.01 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 -4.06 2.86 -0.23 6.43 0.15 -1.19 -4.98 113.70 112.68 3d4k s SER 169 Ca 0.22 -0.82 -0.18 0.00 0.70 0.00 0.00 55.95 55.87 3d4k s SER 169 Cb -0.12 -0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.07 3d4k s SER 169 CO 0.92 0.03 0.58 0.54 1.20 0.00 0.00 173.24 176.52 3d4k s VAL 170 N -1.73 -0.00 0.02 4.45 0.11 -1.26 -1.29 120.40 120.69 3d4k s VAL 170 Ca 0.15 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.97 3d4k s VAL 170 Cb -0.07 -0.83 0.06 0.00 -1.53 0.00 0.00 36.38 34.00 3d4k s VAL 170 CO 0.07 0.01 0.55 -0.83 -3.33 0.00 0.00 175.10 171.57 3d4k s GLY 171 N 0.79 -0.46 0.06 6.54 0.00 -0.93 -0.47 107.32 112.85 3d4k s GLY 171 Ca -0.04 0.79 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 3d4k s GLY 171 CO -0.06 0.48 0.07 0.50 0.00 0.00 0.00 173.10 174.09 3d4k s ARG 172 N -2.01 0.66 -0.05 2.90 0.52 -0.70 -1.82 118.95 118.44 3d4k s ARG 172 Ca -0.08 -0.99 -0.00 0.00 -0.52 0.00 0.00 55.73 54.15 3d4k s ARG 172 Cb -0.01 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.73 3d4k s ARG 172 CO 0.02 -0.16 -0.01 0.00 0.02 0.00 0.00 175.30 175.17 3d4k s ALA 173 N -3.42 0.55 0.01 2.13 0.00 -0.25 -0.65 121.76 120.14 3d4k s ALA 173 Ca 0.02 -0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.06 3d4k s ALA 173 Cb 0.04 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3d4k s ALA 173 CO -0.08 -0.22 -0.24 -0.51 0.00 0.00 0.00 175.76 174.70 3d4k s LEU 174 N 1.41 2.11 0.30 0.00 1.02 -0.05 -0.89 118.68 122.58 3d4k s LEU 174 Ca -0.04 -0.51 -0.29 0.00 0.02 0.00 0.00 54.13 53.31 3d4k s LEU 174 Cb -0.13 -1.22 -0.10 0.00 0.02 0.00 0.00 46.19 44.76 3d4k s LEU 174 CO -0.03 0.26 1.38 0.12 0.02 0.00 0.00 176.35 178.10 3d4k s PHE 175 N -0.69 2.99 0.18 0.29 5.36 -0.16 -0.61 117.98 125.35 3d4k s PHE 175 Ca 0.10 1.24 -0.14 0.00 -0.96 0.00 0.00 56.93 57.17 3d4k s PHE 175 Cb -0.09 -3.77 0.14 0.00 -0.34 0.00 0.00 43.02 38.95 3d4k s PHE 175 CO 0.01 -2.28 1.75 -0.92 -1.46 0.00 0.00 175.22 172.32 3d4k h TYR 176 N 4.02 0.30 -3.63 10.12 3.20 -1.36 -3.43 116.97 126.20 3d4k h TYR 176 Ca -0.48 0.02 -0.51 0.00 3.14 0.00 0.00 58.73 60.91 3d4k h TYR 176 Cb 1.22 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 3d4k h TYR 176 CO 0.57 0.11 0.36 0.00 -1.64 0.00 0.00 178.16 177.57 3d4k s ALA 177 N -6.14 3.28 0.70 1.82 0.00 -1.26 -5.03 121.76 115.13 3d4k s ALA 177 Ca -0.13 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 52.29 3d4k s ALA 177 Cb 0.14 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3d4k s ALA 177 CO 0.73 0.04 1.15 -2.14 0.00 0.00 0.00 175.76 175.54 3d4k s PRO 178 N -0.40 2.44 -0.05 0.00 0.02 -1.26 -4.79 135.00 130.96 3d4k s PRO 178 Ca 0.45 1.55 0.06 0.00 0.02 0.00 0.00 61.00 63.08 3d4k s PRO 178 Cb -0.24 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 3d4k s PRO 178 CO 0.31 -1.56 -0.25 0.08 -0.33 0.00 0.00 177.00 175.25 3d4k s VAL 179 N -2.21 2.07 -0.87 3.83 1.01 0.18 -4.94 120.40 119.46 3d4k s VAL 179 Ca 0.70 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 3d4k s VAL 179 Cb -0.24 -1.74 0.11 0.00 0.00 0.00 0.00 36.38 34.51 3d4k s VAL 179 CO 0.44 0.57 1.10 -2.28 0.00 0.00 0.00 175.10 174.93 3d4k s HIS 180 N -0.25 2.99 0.19 5.22 2.46 -1.26 -1.39 115.29 123.24 3d4k s HIS 180 Ca -0.01 -1.18 -0.02 0.00 0.47 0.00 0.00 55.06 54.32 3d4k s HIS 180 Cb -0.13 -4.30 0.12 0.00 -0.13 0.00 0.00 32.58 28.14 3d4k s HIS 180 CO 0.03 -1.54 1.51 0.97 -2.47 0.00 0.00 174.74 173.23 3d4k h ILE 181 N 5.92 1.33 -3.11 0.89 6.09 -1.78 -3.46 117.51 123.39 3d4k h ILE 181 Ca 0.06 -1.83 -0.11 0.00 -1.37 0.00 0.00 64.86 61.61 3d4k h ILE 181 Cb 1.03 1.81 -0.19 0.00 0.47 0.00 0.00 36.82 39.94 3d4k h ILE 181 CO 1.14 0.56 -0.27 -1.66 -3.07 0.00 0.00 178.15 174.86 3d4k s TRP 182 N -3.96 -0.16 -0.11 2.19 1.48 -1.23 -4.76 118.94 112.39 3d4k s TRP 182 Ca -0.07 0.18 -0.05 0.00 -1.06 0.00 0.00 56.10 55.10 3d4k s TRP 182 Cb 0.11 0.09 0.06 0.00 -1.16 0.00 0.00 33.47 32.57 3d4k s TRP 182 CO 0.84 -0.42 0.24 -2.00 -4.06 0.00 0.00 176.95 171.55 3d4k s GLU 183 N -1.66 0.15 0.29 3.25 2.12 -1.26 -4.74 118.70 116.86 3d4k s GLU 183 Ca -0.11 0.64 0.04 0.00 0.36 0.00 0.00 54.97 55.90 3d4k s GLU 183 Cb -0.04 -0.10 0.66 0.00 0.26 0.00 0.00 34.13 34.92 3d4k s GLU 183 CO 0.02 -0.24 1.80 1.03 -0.54 0.00 0.00 175.26 177.33 3d4k h SER 184 N 7.89 0.85 -0.71 -1.70 0.87 -2.00 -1.87 113.55 116.87 3d4k h SER 184 Ca -0.24 0.08 -0.43 0.00 -1.23 0.00 0.00 61.79 59.97 3d4k h SER 184 Cb 1.13 -0.08 -0.18 0.00 -0.44 0.00 0.00 62.40 62.83 3d4k h SER 184 CO 0.23 0.37 0.52 -1.20 -0.53 0.00 0.00 176.83 176.21 3d4k n SER 185 N -4.70 6.74 -4.22 6.23 7.64 -1.26 -4.88 113.62 119.16 3d4k n SER 185 Ca 0.22 -3.25 -0.29 0.00 1.01 0.00 0.00 58.87 56.56 3d4k n SER 185 Cb 0.48 -1.07 -0.16 0.00 -1.01 0.00 0.00 64.21 62.45 3d4k n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d4k s ALA 186 N -2.24 1.90 -0.01 -0.43 0.00 -0.71 -0.25 121.76 120.02 3d4k s ALA 186 Ca 0.43 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 51.21 3d4k s ALA 186 Cb 0.32 -0.57 -0.19 0.00 0.00 0.00 0.00 23.12 22.68 3d4k s ALA 186 CO -0.05 0.39 1.30 0.28 0.00 0.00 0.00 175.76 177.68 3d4k h VAL 187 N 4.98 1.22 -3.80 0.00 2.07 -0.18 -3.44 116.25 117.09 3d4k h VAL 187 Ca -0.34 -0.93 -0.22 0.00 0.82 0.00 0.00 66.70 66.02 3d4k h VAL 187 Cb 1.16 1.82 -0.26 0.00 -1.52 0.00 0.00 31.29 32.49 3d4k h VAL 187 CO 0.47 0.23 -0.72 -0.69 0.02 0.00 0.00 177.57 176.89 3d4k s VAL 188 N -4.51 0.06 -0.00 2.57 1.01 -1.25 -4.92 120.40 113.36 3d4k s VAL 188 Ca -0.15 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3d4k s VAL 188 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 3d4k s VAL 188 CO 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 175.10 175.60 3d4k s ALA 189 N -0.36 0.26 0.10 5.51 0.00 -1.26 -1.21 121.76 124.81 3d4k s ALA 189 Ca -0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 3d4k s ALA 189 Cb -0.03 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.11 3d4k s ALA 189 CO -0.00 0.06 0.73 -1.54 0.00 0.00 0.00 175.76 175.01 3d4k s SER 190 N -0.11 -0.46 0.16 0.00 1.04 -0.82 0.28 113.70 113.79 3d4k s SER 190 Ca 0.01 -0.05 -0.17 0.00 0.48 0.00 0.00 55.95 56.22 3d4k s SER 190 Cb -0.01 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.66 3d4k s SER 190 CO -0.00 -0.85 0.47 0.72 0.98 0.00 0.00 173.24 174.56 3d4k s PHE 191 N -3.50 -0.21 -0.01 5.02 -0.12 -0.24 -1.04 117.98 117.88 3d4k s PHE 191 Ca 0.03 -0.10 -0.16 0.00 -0.05 0.00 0.00 56.93 56.66 3d4k s PHE 191 Cb -0.01 0.35 0.03 0.00 -0.63 0.00 0.00 43.02 42.75 3d4k s PHE 191 CO -0.10 -0.80 0.33 -1.83 -0.05 0.00 0.00 175.22 172.77 3d4k s GLU 192 N -3.82 0.72 -0.00 1.99 -1.05 -0.40 -1.58 118.70 114.55 3d4k s GLU 192 Ca 0.05 -0.21 -0.06 0.00 -0.15 0.00 0.00 54.97 54.61 3d4k s GLU 192 Cb 0.00 0.32 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 3d4k s GLU 192 CO -0.09 -0.21 0.11 0.00 0.95 0.00 0.00 175.26 176.03 3d4k s ALA 193 N -1.50 -0.26 -0.07 -0.84 0.00 0.12 -1.48 121.76 117.73 3d4k s ALA 193 Ca -0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 3d4k s ALA 193 Cb -0.04 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3d4k s ALA 193 CO 0.04 -0.18 0.17 0.99 0.00 0.00 0.00 175.76 176.78 3d4k s THR 194 N -1.18 -0.01 -0.09 0.00 2.01 -0.41 -0.50 115.64 115.47 3d4k s THR 194 Ca -0.13 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 3d4k s THR 194 Cb -0.07 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.22 3d4k s THR 194 CO 0.01 0.01 0.38 0.72 -0.69 0.00 0.00 174.62 175.05 3d4k s PHE 195 N 0.26 -0.35 -0.06 4.92 -0.12 -0.70 -0.10 117.98 121.83 3d4k s PHE 195 Ca -0.01 0.75 -0.01 0.00 -0.05 0.00 0.00 56.93 57.61 3d4k s PHE 195 Cb -0.03 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 3d4k s PHE 195 CO -0.01 -0.31 -0.00 0.95 -0.05 0.00 0.00 175.22 175.79 3d4k s THR 196 N -0.52 4.23 0.15 -4.49 -4.23 -0.68 -1.17 115.64 108.93 3d4k s THR 196 Ca -0.06 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 3d4k s THR 196 Cb -0.04 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 3d4k s THR 196 CO 0.03 0.55 -0.01 0.72 -0.54 0.00 0.00 174.62 175.36 3d4k s PHE 197 N -0.93 1.11 -0.28 3.99 -0.12 -0.26 -1.40 117.98 120.09 3d4k s PHE 197 Ca 0.15 -1.00 -0.03 0.00 -0.05 0.00 0.00 56.93 56.00 3d4k s PHE 197 Cb -0.11 -0.63 0.09 0.00 -0.63 0.00 0.00 43.02 41.74 3d4k s PHE 197 CO 0.04 -0.20 0.11 -1.17 -0.05 0.00 0.00 175.22 173.95 3d4k s LEU 198 N -3.13 1.03 -0.35 -1.99 2.96 -0.05 -0.48 118.68 116.66 3d4k s LEU 198 Ca 0.21 -1.31 -0.11 0.00 -0.22 0.00 0.00 54.13 52.70 3d4k s LEU 198 Cb 0.06 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.26 3d4k s LEU 198 CO 0.02 -0.42 0.20 -0.63 -1.32 0.00 0.00 176.35 174.19 3d4k s ILE 199 N 1.96 4.69 -0.04 6.68 1.01 -1.26 -2.98 121.20 131.26 3d4k s ILE 199 Ca 0.08 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3d4k s ILE 199 Cb -0.16 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3d4k s ILE 199 CO -0.30 -0.12 -0.12 -0.75 0.00 0.00 0.00 174.94 173.66 3d4k s LYS 200 N 1.60 1.26 -0.00 2.79 2.20 -1.24 -0.84 119.74 125.52 3d4k s LYS 200 Ca 0.03 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 3d4k s LYS 200 Cb -0.18 -1.13 -0.00 0.00 -1.51 0.00 0.00 37.83 35.00 3d4k s LYS 200 CO 0.07 0.14 0.02 0.45 -0.36 0.00 0.00 175.35 175.67 3d4k s SER 201 N 0.22 0.06 0.26 1.43 0.15 -1.26 -0.60 113.70 113.96 3d4k s SER 201 Ca -0.05 -0.15 0.18 0.00 0.70 0.00 0.00 55.95 56.64 3d4k s SER 201 Cb -0.10 0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.38 3d4k s SER 201 CO 0.01 -0.15 1.30 1.55 1.20 0.00 0.00 173.24 177.15 3d4k h PRO 202 N 5.43 0.00 -7.10 5.44 0.13 -1.98 -3.47 132.00 130.44 3d4k h PRO 202 Ca -0.28 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.36 3d4k h PRO 202 Cb 1.21 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 3d4k h PRO 202 CO 0.45 0.28 0.21 0.16 -0.23 0.00 0.00 178.00 178.87 3d4k s ASP 203 N -6.11 6.03 0.18 1.44 1.47 -1.26 -5.00 116.67 113.42 3d4k s ASP 203 Ca 0.03 0.99 -0.13 0.00 1.18 0.00 0.00 52.55 54.62 3d4k s ASP 203 Cb 0.07 -2.14 0.13 0.00 -0.34 0.00 0.00 42.92 40.65 3d4k s ASP 203 CO 0.75 -0.81 1.81 0.77 0.68 0.00 0.00 175.17 178.36 3d4k h SER 204 N -0.05 0.48 -3.52 2.11 4.64 -1.99 -3.37 113.55 111.85 3d4k h SER 204 Ca -0.46 0.01 -0.69 0.00 -0.47 0.00 0.00 61.79 60.18 3d4k h SER 204 Cb 1.22 -0.08 -0.35 0.00 -0.31 0.00 0.00 62.40 62.88 3d4k h SER 204 CO 0.62 0.33 -0.57 -1.00 -0.87 0.00 0.00 176.83 175.34 3d4k s HIS 205 N -6.13 3.57 0.75 4.77 3.76 -1.26 -5.10 115.29 115.65 3d4k s HIS 205 Ca -0.13 -2.40 -0.11 0.00 -0.15 0.00 0.00 55.06 52.27 3d4k s HIS 205 Cb 0.14 -3.13 0.04 0.00 1.11 0.00 0.00 32.58 30.74 3d4k s HIS 205 CO 0.74 -0.96 1.08 -1.25 -0.85 0.00 0.00 174.74 173.50 3d4k s PRO 206 N 1.14 2.46 0.07 8.40 0.04 -1.26 -4.59 135.00 141.26 3d4k s PRO 206 Ca 0.07 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 3d4k s PRO 206 Cb -0.22 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.45 3d4k s PRO 206 CO -0.04 -1.39 0.75 0.00 0.04 0.00 0.00 177.00 176.36 3d4k s ALA 207 N -3.10 -1.72 -0.17 8.56 0.00 -1.13 -4.03 121.76 120.16 3d4k s ALA 207 Ca 0.60 0.80 0.07 0.00 0.00 0.00 0.00 51.96 53.42 3d4k s ALA 207 Cb -0.14 0.59 -0.09 0.00 0.00 0.00 0.00 23.12 23.48 3d4k s ALA 207 CO 0.55 -0.70 0.22 -0.25 0.00 0.00 0.00 175.76 175.57 3d4k n ASP 208 N -0.23 1.76 0.00 0.00 8.00 0.05 -2.69 116.55 123.44 3d4k n ASP 208 Ca -0.13 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3d4k n ASP 208 Cb 0.63 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 3d4k n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4k n GLY 209 N 1.60 1.50 3.12 0.44 0.00 -1.22 -2.75 105.19 107.88 3d4k n GLY 209 Ca 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.24 0.83 -0.02 -0.61 1.01 -0.76 -2.70 121.20 117.71 3d4k s ILE 210 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 60.65 59.32 3d4k s ILE 210 Cb 0.00 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.61 3d4k s ILE 210 CO 0.00 -0.33 0.23 0.00 0.00 0.00 0.00 174.94 174.84 3d4k s ALA 211 N -1.43 -0.56 -0.16 9.38 0.00 0.15 0.14 121.76 129.28 3d4k s ALA 211 Ca -0.05 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 3d4k s ALA 211 Cb -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 3d4k s ALA 211 CO 0.01 -0.21 0.07 0.12 0.00 0.00 0.00 175.76 175.76 3d4k s PHE 212 N -1.03 3.31 0.09 0.00 5.36 -0.58 -0.82 117.98 124.31 3d4k s PHE 212 Ca -0.11 0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 56.04 3d4k s PHE 212 Cb -0.05 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 3d4k s PHE 212 CO 0.02 0.30 -0.01 -0.59 -1.46 0.00 0.00 175.22 173.48 3d4k s PHE 213 N -0.00 0.71 -0.06 10.12 -0.12 0.03 -0.83 117.98 127.83 3d4k s PHE 213 Ca 0.07 -1.09 0.03 0.00 -0.05 0.00 0.00 56.93 55.88 3d4k s PHE 213 Cb -0.12 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 41.83 3d4k s PHE 213 CO 0.01 -0.37 -0.13 0.42 -0.05 0.00 0.00 175.22 175.10 3d4k s ILE 214 N -3.89 1.15 0.35 -4.49 1.01 0.21 -1.32 121.20 114.22 3d4k s ILE 214 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 3d4k s ILE 214 Cb 0.07 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3d4k s ILE 214 CO -0.05 0.35 0.46 -0.94 0.00 0.00 0.00 174.94 174.76 3d4k s SER 215 N 0.54 1.14 0.65 3.58 1.04 -0.58 -2.00 113.70 118.07 3d4k s SER 215 Ca -0.12 -1.57 -0.17 0.00 0.48 0.00 0.00 55.95 54.56 3d4k s SER 215 Cb -0.15 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3d4k s SER 215 CO 0.03 -1.29 1.24 0.54 0.98 0.00 0.00 173.24 174.74 3d4k s ASN 216 N -3.28 4.72 0.32 7.02 4.22 -1.21 -1.27 114.94 125.47 3d4k s ASN 216 Ca 0.32 2.46 0.05 0.00 -2.14 0.00 0.00 52.86 53.55 3d4k s ASN 216 Cb -0.00 -2.60 0.69 0.00 1.28 0.00 0.00 41.25 40.61 3d4k s ASN 216 CO 0.23 -1.91 1.87 0.16 -2.04 0.00 0.00 177.10 175.40 3d4k h ILE 217 N 0.44 0.90 -0.45 0.54 3.07 -1.85 -2.41 117.51 117.75 3d4k h ILE 217 Ca -0.50 -0.29 -0.19 0.00 1.55 0.00 0.00 64.86 65.44 3d4k h ILE 217 Cb 1.31 -0.01 -0.11 0.00 -0.27 0.00 0.00 36.82 37.74 3d4k h ILE 217 CO 0.53 0.15 0.23 -0.90 -1.05 0.00 0.00 178.15 177.12 3d4k n ASP 218 N -4.57 3.43 -4.77 2.16 5.75 -1.26 -4.81 116.55 112.48 3d4k n ASP 218 Ca 0.17 -2.73 -0.40 0.00 -0.01 0.00 0.00 54.79 51.82 3d4k n ASP 218 Cb 0.38 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.81 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 -0.27 6.37 0.11 -1.12 0.15 -0.91 -5.04 113.70 112.99 3d4k s SER 219 Ca 0.30 2.76 0.01 0.00 0.70 0.00 0.00 55.95 59.72 3d4k s SER 219 Cb 0.24 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 3d4k s SER 219 CO 0.07 -0.82 -0.03 -0.44 1.20 0.00 0.00 173.24 173.22 3d4k s SER 220 N -0.55 0.97 0.00 5.45 0.01 -1.26 -5.07 113.70 113.25 3d4k s SER 220 Ca 0.55 -1.07 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 3d4k s SER 220 Cb -0.41 0.14 -0.07 0.00 0.21 0.00 0.00 66.02 65.89 3d4k s SER 220 CO 0.53 -0.54 1.75 -0.63 0.41 0.00 0.00 173.24 174.76 3d4k s ILE 221 N -3.72 3.28 0.42 1.44 1.01 -1.26 -4.92 121.20 117.43 3d4k s ILE 221 Ca 0.15 0.44 -0.27 0.00 0.00 0.00 0.00 60.65 60.98 3d4k s ILE 221 Cb 0.06 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.15 3d4k s ILE 221 CO -0.03 -0.03 1.46 -2.84 0.00 0.00 0.00 174.94 173.50 3d4k s PRO 222 N 3.83 3.88 0.18 2.79 0.02 -1.26 -4.88 135.00 139.56 3d4k s PRO 222 Ca 0.78 2.49 -0.33 0.00 0.02 0.00 0.00 61.00 63.96 3d4k s PRO 222 Cb -0.38 -2.80 -0.14 0.00 0.02 0.00 0.00 34.50 31.20 3d4k s PRO 222 CO 0.34 -0.68 1.53 0.45 -0.33 0.00 0.00 177.00 178.30 3d4k n SER 223 N 0.11 2.95 0.00 2.53 2.88 -1.26 -1.88 113.62 118.96 3d4k n SER 223 Ca 0.03 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 3d4k n SER 223 Cb 0.41 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 3d4k n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d4k n GLY 224 N 3.07 0.23 1.66 0.46 0.00 -1.26 -4.92 105.19 104.43 3d4k n GLY 224 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.54 3.88 -3.34 1.61 3.41 -0.78 -4.86 113.62 113.00 3d4k n SER 225 Ca 0.00 -2.03 -0.18 0.00 -0.26 0.00 0.00 58.87 56.40 3d4k n SER 225 Cb 0.27 -0.83 0.11 0.00 -0.26 0.00 0.00 64.21 63.51 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 1.68 0.00 -0.48 6.66 -2.24 -1.26 -0.69 114.28 117.95 3d4k n THR 226 Ca 0.01 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3d4k n THR 226 Cb 0.38 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 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 -0.35 3.16 0.23 3.38 0.00 -0.01 -2.74 105.19 108.85 3d4k n GLY 227 Ca 0.11 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3d4k n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3d4k h ARG 228 N 0.00 0.00 -0.00 1.61 0.11 -1.90 -2.23 114.38 111.96 3d4k h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3d4k h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3d4k h ARG 228 CO 0.00 0.00 -0.09 1.28 0.10 0.00 0.00 179.97 181.26 3d4k n LEU 229 N -2.50 0.54 -1.72 0.08 4.77 -1.11 -4.93 117.00 112.13 3d4k n LEU 229 Ca -0.02 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 3d4k n LEU 229 Cb 0.18 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3d4k n LEU 229 CO 0.12 0.10 -0.10 0.18 -1.33 0.00 0.00 177.39 176.35 3d4k n LEU 230 N -0.83 -0.75 -0.62 2.23 4.77 -0.84 -1.24 117.00 119.71 3d4k n LEU 230 Ca 0.16 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.30 3d4k n LEU 230 Cb 0.27 -1.67 -0.03 0.00 -2.33 0.00 0.00 43.42 39.65 3d4k n LEU 230 CO 0.22 -0.34 -0.08 0.61 -1.33 0.00 0.00 177.39 176.48 3d4k n GLY 231 N -0.38 0.93 0.05 -0.72 0.00 0.14 -4.02 105.19 101.18 3d4k n GLY 231 Ca -0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.92 1.30 -4.42 0.99 4.77 -0.38 -4.38 117.00 113.95 3d4k n LEU 232 Ca -0.08 -0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.59 3d4k n LEU 232 Cb 0.39 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.31 3d4k n LEU 232 CO 0.12 0.42 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.71 3d4k s PHE 233 N -2.22 2.35 0.04 -1.77 0.08 -1.17 -4.81 117.98 110.47 3d4k s PHE 233 Ca -0.09 -0.35 0.15 0.00 0.12 0.00 0.00 56.93 56.76 3d4k s PHE 233 Cb 0.03 -1.22 0.25 0.00 -0.57 0.00 0.00 43.02 41.51 3d4k s PHE 233 CO 0.32 0.42 1.53 -1.00 -0.10 0.00 0.00 175.22 176.38 3d4k h PRO 234 N 3.55 0.00 0.00 0.24 0.13 -1.92 -3.42 132.00 130.57 3d4k h PRO 234 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 3d4k h PRO 234 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3d4k h PRO 234 CO 0.44 0.55 -0.00 -0.40 -0.23 0.00 0.00 178.00 178.36 3d4k n ASP 235 N -3.39 -1.21 -2.05 1.44 5.68 -1.26 -4.89 116.55 110.85 3d4k n ASP 235 Ca 0.01 -2.29 -0.12 0.00 -0.50 0.00 0.00 54.79 51.89 3d4k n ASP 235 Cb 0.68 2.15 0.26 0.00 -1.14 0.00 0.00 41.12 43.07 3d4k n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3d4k n ALA 236 N -1.31 4.86 1.54 2.12 0.00 -1.26 -4.71 120.51 121.75 3d4k n ALA 236 Ca -0.11 -2.43 0.12 0.00 0.00 0.00 0.00 53.44 51.03 3d4k n ALA 236 Cb 0.42 -1.31 0.73 0.00 0.00 0.00 0.00 19.45 19.29 3d4k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59