#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 3.77 -0.21 0.00 1.01 -1.26 -5.04 116.67 114.93 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 -1.61 -0.00 0.00 1.01 0.00 0.00 42.92 42.32 3d4k s ASP 2 CO 0.00 -2.39 -0.07 -0.89 0.21 0.00 0.00 175.17 172.03 3d4k s THR 3 N -3.28 3.16 -0.02 -1.27 2.01 -1.26 -5.03 115.64 109.95 3d4k s THR 3 Ca 0.63 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 62.12 3d4k s THR 3 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 3d4k s THR 3 CO 0.53 0.45 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.09 3d4k s ILE 4 N 1.39 1.47 -0.07 1.82 -1.09 -1.26 -3.26 121.20 120.20 3d4k s ILE 4 Ca 0.05 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 3d4k s ILE 4 Cb -0.14 -1.23 0.02 0.00 -1.58 0.00 0.00 42.46 39.53 3d4k s ILE 4 CO -0.04 0.42 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.33 3d4k s VAL 5 N -0.36 0.76 0.19 2.92 1.01 -0.87 -0.08 120.40 123.97 3d4k s VAL 5 Ca 0.05 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 3d4k s VAL 5 Cb -0.08 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3d4k s VAL 5 CO -0.00 0.29 0.41 0.00 0.00 0.00 0.00 175.10 175.81 3d4k s ALA 6 N 1.20 -0.44 -0.20 5.51 0.00 0.42 -0.74 121.76 127.52 3d4k s ALA 6 Ca -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3d4k s ALA 6 Cb -0.14 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.89 3d4k s ALA 6 CO -0.02 -0.74 -0.17 0.08 0.00 0.00 0.00 175.76 174.91 3d4k s VAL 7 N -3.93 2.16 -0.04 0.00 1.01 -0.39 -0.04 120.40 119.16 3d4k s VAL 7 Ca 0.14 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 3d4k s VAL 7 Cb 0.01 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3d4k s VAL 7 CO -0.00 0.42 0.02 -1.83 0.00 0.00 0.00 175.10 173.72 3d4k s GLU 8 N 1.27 2.95 -0.74 2.72 -1.05 0.00 -1.45 118.70 122.40 3d4k s GLU 8 Ca 0.02 -0.48 -0.01 0.00 -0.15 0.00 0.00 54.97 54.36 3d4k s GLU 8 Cb -0.14 -2.78 0.19 0.00 -0.44 0.00 0.00 34.13 30.95 3d4k s GLU 8 CO -0.11 0.67 0.58 -0.51 0.95 0.00 0.00 175.26 176.84 3d4k s LEU 9 N -1.29 5.24 -0.46 1.83 1.02 0.93 -0.91 118.68 125.04 3d4k s LEU 9 Ca 0.17 -3.40 -0.27 0.00 0.02 0.00 0.00 54.13 50.65 3d4k s LEU 9 Cb -0.12 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.30 3d4k s LEU 9 CO 0.07 -0.23 1.02 -0.62 0.02 0.00 0.00 176.35 176.61 3d4k s ASP 10 N -0.10 6.57 0.21 2.29 -1.08 -0.14 -1.69 116.67 122.73 3d4k s ASP 10 Ca 0.23 0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.78 3d4k s ASP 10 Cb -0.13 -2.49 0.18 0.00 -1.46 0.00 0.00 42.92 39.02 3d4k s ASP 10 CO -0.09 -1.13 1.23 0.71 0.52 0.00 0.00 175.17 176.41 3d4k h THR 11 N 6.13 0.00 -3.09 1.71 1.35 -1.73 -1.22 112.91 116.06 3d4k h THR 11 Ca -0.23 -0.82 -0.66 0.00 -0.55 0.00 0.00 66.41 64.15 3d4k h THR 11 Cb 1.07 1.43 -0.35 0.00 -1.73 0.00 0.00 68.15 68.56 3d4k h THR 11 CO 1.07 0.00 -0.85 -0.47 -0.25 0.00 0.00 175.52 175.01 3d4k s TYR 12 N -3.27 2.71 -0.20 4.73 6.14 -1.24 -4.54 117.35 121.68 3d4k s TYR 12 Ca 0.03 -1.61 -0.29 0.00 0.64 0.00 0.00 57.07 55.84 3d4k s TYR 12 Cb 0.10 -1.88 -0.03 0.00 0.42 0.00 0.00 41.96 40.57 3d4k s TYR 12 CO 0.75 -0.79 1.65 -2.14 0.64 0.00 0.00 175.55 175.65 3d4k s PRO 13 N 1.31 3.81 -0.86 4.97 0.02 -1.26 -4.93 135.00 138.06 3d4k s PRO 13 Ca 0.05 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.81 3d4k s PRO 13 Cb -0.13 -4.05 0.21 0.00 0.02 0.00 0.00 34.50 30.56 3d4k s PRO 13 CO -0.12 -1.28 0.74 0.09 -0.33 0.00 0.00 177.00 176.10 3d4k n ASN 14 N 8.44 4.00 0.31 2.53 4.13 -1.26 -4.92 115.26 128.49 3d4k n ASN 14 Ca 0.19 -3.17 0.19 0.00 1.68 0.00 0.00 54.58 53.47 3d4k n ASN 14 Cb 0.45 -0.98 1.05 0.00 -1.54 0.00 0.00 39.78 38.76 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 4.06 0.27 0.00 3.41 1.35 -1.87 -2.00 112.91 118.13 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 0.79 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3d4k h THR 15 CO 0.84 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.21 3d4k n ASP 16 N -3.48 0.00 -0.66 5.36 5.75 -1.26 -3.18 116.55 119.08 3d4k n ASP 16 Ca -0.03 0.18 0.06 0.00 -0.01 0.00 0.00 54.79 55.00 3d4k n ASP 16 Cb 0.10 -0.38 0.16 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.38 1.74 0.00 2.12 -5.35 -0.77 -4.99 119.36 110.73 3d4k n ILE 17 Ca 0.09 -2.64 0.00 0.00 -0.27 0.00 0.00 62.75 59.93 3d4k n ILE 17 Cb 0.24 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 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 -0.88 1.58 3.76 3.28 0.00 -1.19 -4.65 105.19 107.10 3d4k n GLY 18 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.86 5.51 0.67 1.61 1.01 -1.07 -4.95 116.67 117.59 3d4k s ASP 19 Ca 0.00 2.49 -0.11 0.00 0.71 0.00 0.00 52.55 55.64 3d4k s ASP 19 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 3d4k s ASP 19 CO 0.00 -1.38 1.05 -2.16 0.21 0.00 0.00 175.17 172.89 3d4k s PRO 20 N -3.00 3.19 -0.40 8.23 0.04 -1.26 -4.16 135.00 137.64 3d4k s PRO 20 Ca 0.71 0.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.46 3d4k s PRO 20 Cb -0.33 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.04 3d4k s PRO 20 CO 0.38 -0.86 2.50 -1.13 0.04 0.00 0.00 177.00 177.93 3d4k n SER 21 N -2.94 4.41 0.00 6.66 3.41 -1.26 -4.68 113.62 119.21 3d4k n SER 21 Ca 0.07 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 3d4k n SER 21 Cb 0.55 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3d4k n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d4k n TYR 22 N 3.17 0.00 -1.61 7.33 0.18 -1.26 -5.03 117.16 119.93 3d4k n TYR 22 Ca 0.38 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.75 3d4k n TYR 22 Cb 0.45 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.42 3d4k n TYR 22 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3d4k n PRO 23 N -0.08 1.36 -3.86 -3.48 -0.02 -1.26 -4.71 135.00 122.96 3d4k n PRO 23 Ca 0.00 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 3d4k n PRO 23 Cb 0.00 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.28 -0.00 0.06 6.00 -3.43 -0.46 -1.57 115.29 114.60 3d4k s HIS 24 Ca 0.63 -0.38 0.06 0.00 -0.80 0.00 0.00 55.06 54.57 3d4k s HIS 24 Cb -0.55 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.01 3d4k s HIS 24 CO 0.57 -1.06 -0.13 0.96 -2.00 0.00 0.00 174.74 173.08 3d4k s ILE 25 N -3.93 3.15 0.16 -5.38 -4.36 -0.57 -0.97 121.20 109.30 3d4k s ILE 25 Ca 0.14 -1.14 -0.11 0.00 -0.26 0.00 0.00 60.65 59.28 3d4k s ILE 25 Cb -0.03 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.30 3d4k s ILE 25 CO 0.04 0.27 0.34 -0.83 0.24 0.00 0.00 174.94 175.01 3d4k s GLY 26 N -1.70 0.26 -0.24 6.27 0.00 -0.08 -1.50 107.32 110.33 3d4k s GLY 26 Ca 0.17 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 3d4k s GLY 26 CO 0.08 -0.66 -0.00 -0.42 0.00 0.00 0.00 173.10 172.11 3d4k s ILE 27 N -3.93 3.65 -0.22 0.90 1.01 -0.45 -0.82 121.20 121.34 3d4k s ILE 27 Ca 0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3d4k s ILE 27 Cb 0.02 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 3d4k s ILE 27 CO -0.02 0.34 0.02 -1.81 0.00 0.00 0.00 174.94 173.47 3d4k s ASP 28 N 1.51 4.89 -0.35 3.58 1.01 0.94 -0.69 116.67 127.56 3d4k s ASP 28 Ca 0.05 -0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.12 3d4k s ASP 28 Cb -0.15 -1.85 0.10 0.00 1.01 0.00 0.00 42.92 42.03 3d4k s ASP 28 CO -0.01 0.02 0.07 -0.63 0.21 0.00 0.00 175.17 174.82 3d4k s ILE 29 N 1.30 2.38 -1.84 0.77 -1.09 -1.26 -0.43 121.20 121.03 3d4k s ILE 29 Ca 0.04 -2.32 0.00 0.00 -2.23 0.00 0.00 60.65 56.14 3d4k s ILE 29 Cb -0.15 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 3d4k s ILE 29 CO 0.02 -0.61 0.00 0.29 -1.23 0.00 0.00 174.94 173.41 3d4k n LYS 30 N 4.29 -1.55 -3.61 2.79 5.02 0.89 -4.92 118.16 121.06 3d4k n LYS 30 Ca 0.03 1.03 -0.12 0.00 -2.02 0.00 0.00 58.31 57.23 3d4k n LYS 30 Cb 0.42 -5.47 -0.07 0.00 -0.02 0.00 0.00 35.03 29.89 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 -2.39 -0.53 0.39 4.39 0.15 -1.26 -4.97 113.70 109.47 3d4k s SER 31 Ca 0.00 0.92 0.28 0.00 0.70 0.00 0.00 55.95 57.84 3d4k s SER 31 Cb 0.00 0.89 1.02 0.00 -1.71 0.00 0.00 66.02 66.22 3d4k s SER 31 CO 0.00 -0.26 1.81 1.62 1.20 0.00 0.00 173.24 177.62 3d4k h VAL 32 N 3.46 0.00 -2.15 4.45 3.04 -1.85 -3.38 116.25 119.81 3d4k h VAL 32 Ca -0.27 -0.47 -0.62 0.00 -1.01 0.00 0.00 66.70 64.33 3d4k h VAL 32 Cb 1.17 1.38 -0.13 0.00 -2.01 0.00 0.00 31.29 31.70 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 -3.41 3.37 0.22 4.17 0.52 -1.26 -4.97 118.95 117.58 3d4k s ARG 33 Ca 0.04 -1.02 -0.29 0.00 -0.52 0.00 0.00 55.73 53.95 3d4k s ARG 33 Cb 0.09 -4.67 -0.16 0.00 0.52 0.00 0.00 34.95 30.73 3d4k s ARG 33 CO 0.51 -1.97 0.74 0.43 0.02 0.00 0.00 175.30 175.04 3d4k n SER 34 N 8.05 -0.21 0.23 0.23 7.64 -1.26 -4.83 113.62 123.46 3d4k n SER 34 Ca 0.14 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.29 3d4k n SER 34 Cb 0.48 -1.07 0.23 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.57 0.00 -1.95 1.43 1.79 -1.25 -3.45 116.57 114.71 3d4k h LYS 35 Ca -0.34 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.10 3d4k h LYS 35 Cb 1.40 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.84 3d4k h LYS 35 CO 0.59 0.01 0.17 0.21 -1.08 0.00 0.00 179.45 179.36 3d4k s LYS 36 N -3.27 0.83 0.20 3.15 2.47 -1.24 -5.01 119.74 116.87 3d4k s LYS 36 Ca 0.06 0.87 -0.01 0.00 -1.56 0.00 0.00 55.97 55.33 3d4k s LYS 36 Cb 0.06 0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 36.79 3d4k s LYS 36 CO 0.66 -0.12 0.11 0.95 0.16 0.00 0.00 175.35 177.10 3d4k s THR 37 N 0.17 0.12 -0.10 3.43 -4.23 -1.26 -1.35 115.64 112.42 3d4k s THR 37 Ca -0.01 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 3d4k s THR 37 Cb -0.04 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.37 3d4k s THR 37 CO 0.01 -0.06 0.37 0.00 -0.54 0.00 0.00 174.62 174.40 3d4k s ALA 38 N -4.07 -0.92 0.31 3.99 0.00 -0.56 -4.98 121.76 115.54 3d4k s ALA 38 Ca 0.37 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 3d4k s ALA 38 Cb 0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 23.12 22.69 3d4k s ALA 38 CO 0.11 -0.21 1.54 0.21 0.00 0.00 0.00 175.76 177.41 3d4k s LYS 39 N -0.31 4.14 -0.10 0.00 2.20 -1.26 -1.51 119.74 122.90 3d4k s LYS 39 Ca -0.04 2.54 -0.00 0.00 -0.36 0.00 0.00 55.97 58.10 3d4k s LYS 39 Cb -0.03 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.29 3d4k s LYS 39 CO 0.02 -0.57 -0.07 -0.46 -0.36 0.00 0.00 175.35 173.91 3d4k s TRP 40 N -0.36 1.31 -1.17 4.03 -0.00 -0.61 -4.77 118.94 117.37 3d4k s TRP 40 Ca 0.59 -0.59 -0.14 0.00 -0.00 0.00 0.00 56.10 55.96 3d4k s TRP 40 Cb -0.47 -1.11 0.16 0.00 -0.00 0.00 0.00 33.47 32.06 3d4k s TRP 40 CO 0.52 -0.43 1.40 -0.80 -0.00 0.00 0.00 176.95 177.63 3d4k s ASN 41 N 1.56 7.01 0.20 5.86 0.01 -1.26 -4.40 114.94 123.92 3d4k s ASN 41 Ca 0.01 -2.86 -0.31 0.00 -0.71 0.00 0.00 52.86 49.00 3d4k s ASN 41 Cb -0.13 -2.40 -0.10 0.00 0.41 0.00 0.00 41.25 39.03 3d4k s ASN 41 CO -0.06 -0.79 1.45 -0.32 -1.51 0.00 0.00 177.10 175.87 3d4k s MET 42 N 1.76 4.27 -0.42 -0.60 -2.45 -1.26 -4.99 119.30 115.63 3d4k s MET 42 Ca 0.42 2.25 -0.07 0.00 -1.25 0.00 0.00 55.69 57.04 3d4k s MET 42 Cb -0.03 -3.15 0.09 0.00 1.25 0.00 0.00 34.83 32.99 3d4k s MET 42 CO -0.01 -0.46 0.24 -0.65 1.05 0.00 0.00 175.02 175.19 3d4k s GLN 43 N 0.31 2.41 0.05 4.11 -0.21 -1.26 -5.06 119.66 120.01 3d4k s GLN 43 Ca 0.63 -1.60 -0.36 0.00 0.02 0.00 0.00 55.36 54.06 3d4k s GLN 43 Cb -0.41 -3.71 -0.15 0.00 1.00 0.00 0.00 33.01 29.75 3d4k s GLN 43 CO 0.37 -1.00 1.55 -1.71 -2.12 0.00 0.00 175.29 172.38 3d4k n ASN 44 N 4.81 2.53 0.00 5.90 2.85 -1.26 -1.63 115.26 128.45 3d4k n ASN 44 Ca -0.08 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 3d4k n ASN 44 Cb 0.42 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.14 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 3.31 0.43 3.50 8.20 0.00 0.38 -4.97 105.19 116.05 3d4k n GLY 45 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3d4k n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d4k s LYS 46 N -0.28 1.95 -0.20 1.61 2.20 -0.65 -4.97 119.74 119.40 3d4k s LYS 46 Ca 0.00 -1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 54.25 3d4k s LYS 46 Cb 0.00 -2.18 -0.00 0.00 -1.51 0.00 0.00 37.83 34.13 3d4k s LYS 46 CO 0.00 0.51 0.94 0.08 -0.36 0.00 0.00 175.35 176.52 3d4k s VAL 47 N -1.10 4.77 0.43 4.02 1.01 -1.26 -4.18 120.40 124.10 3d4k s VAL 47 Ca 0.18 1.85 0.07 0.00 0.00 0.00 0.00 61.98 64.07 3d4k s VAL 47 Cb -0.11 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3d4k s VAL 47 CO 0.09 -0.08 0.20 -0.83 0.00 0.00 0.00 175.10 174.48 3d4k s GLY 48 N 1.20 2.37 -0.02 4.51 0.00 0.09 -4.53 107.32 110.93 3d4k s GLY 48 Ca 0.42 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 43.23 3d4k s GLY 48 CO 0.10 -1.92 -0.10 -1.59 0.00 0.00 0.00 173.10 169.59 3d4k s THR 49 N -2.62 0.83 -0.06 0.90 2.01 -0.07 -1.29 115.64 115.34 3d4k s THR 49 Ca 0.39 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.04 3d4k s THR 49 Cb 0.03 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 3d4k s THR 49 CO 0.22 0.25 -0.23 0.00 -0.69 0.00 0.00 174.62 174.18 3d4k s ALA 50 N 0.11 1.97 -0.08 7.40 0.00 -0.05 -1.22 121.76 129.89 3d4k s ALA 50 Ca -0.02 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3d4k s ALA 50 Cb -0.08 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3d4k s ALA 50 CO 0.00 0.36 -0.12 -1.58 0.00 0.00 0.00 175.76 174.43 3d4k s HIS 51 N -0.04 1.52 -0.04 0.00 5.04 -0.17 -1.55 115.29 120.04 3d4k s HIS 51 Ca -0.05 -0.62 0.07 0.00 -1.54 0.00 0.00 55.06 52.91 3d4k s HIS 51 Cb -0.14 -1.14 -0.01 0.00 0.04 0.00 0.00 32.58 31.33 3d4k s HIS 51 CO 0.04 -0.34 -0.24 0.42 -2.34 0.00 0.00 174.74 172.28 3d4k s ILE 52 N 0.90 1.92 0.02 0.89 1.01 0.45 -1.04 121.20 125.34 3d4k s ILE 52 Ca -0.10 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 3d4k s ILE 52 Cb -0.15 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3d4k s ILE 52 CO 0.01 0.54 -0.01 0.27 0.00 0.00 0.00 174.94 175.75 3d4k s ILE 53 N -0.32 0.10 -0.23 2.92 -4.36 -0.47 -0.96 121.20 117.88 3d4k s ILE 53 Ca 0.02 -0.82 -0.19 0.00 -0.26 0.00 0.00 60.65 59.40 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 0.01 -0.45 0.60 -0.47 0.24 0.00 0.00 174.94 174.87 3d4k s TYR 54 N -1.35 -0.73 -0.01 1.37 6.14 -0.68 -1.75 117.35 120.33 3d4k s TYR 54 Ca -0.15 1.69 -0.02 0.00 0.64 0.00 0.00 57.07 59.23 3d4k s TYR 54 Cb -0.09 0.31 0.00 0.00 0.42 0.00 0.00 41.96 42.60 3d4k s TYR 54 CO -0.01 -0.36 0.04 0.54 0.64 0.00 0.00 175.55 176.40 3d4k s ASN 55 N 0.69 -0.01 0.00 4.32 2.20 -1.26 -1.13 114.94 119.75 3d4k s ASN 55 Ca -0.03 0.01 0.14 0.00 -0.94 0.00 0.00 52.86 52.04 3d4k s ASN 55 Cb -0.05 0.10 0.60 0.00 -2.00 0.00 0.00 41.25 39.90 3d4k s ASN 55 CO -0.05 -0.06 1.44 -1.54 -2.94 0.00 0.00 177.10 173.95 3d4k n SER 56 N 2.82 0.00 -0.03 3.54 3.41 0.20 -0.05 113.62 123.51 3d4k n SER 56 Ca -0.14 0.48 -0.15 0.00 -0.26 0.00 0.00 58.87 58.80 3d4k n SER 56 Cb 0.59 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.45 0.00 -3.33 2.07 -1.91 -3.33 116.25 111.20 3d4k h VAL 57 Ca 0.00 -1.81 -0.12 0.00 0.82 0.00 0.00 66.70 65.59 3d4k h VAL 57 Cb 0.23 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3d4k h VAL 57 CO 0.00 0.51 -1.80 0.47 0.02 0.00 0.00 177.57 176.77 3d4k n ASP 58 N -4.42 0.33 -3.71 0.57 8.00 -1.19 -4.99 116.55 111.14 3d4k n ASP 58 Ca -0.09 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.33 3d4k n ASP 58 Cb 0.52 1.10 0.03 0.00 -0.02 0.00 0.00 41.12 42.75 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 -2.58 -4.58 -4.51 -1.24 5.02 0.92 -4.90 118.16 106.29 3d4k n LYS 59 Ca -0.11 0.60 -0.24 0.00 -2.02 0.00 0.00 58.31 56.53 3d4k n LYS 59 Cb 0.77 -5.09 -0.17 0.00 -0.02 0.00 0.00 35.03 30.52 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 -5.99 1.62 -0.28 1.97 3.52 -1.25 -1.80 118.95 116.73 3d4k s ARG 60 Ca 0.03 -0.38 -0.12 0.00 -0.13 0.00 0.00 55.73 55.13 3d4k s ARG 60 Cb -0.01 -1.37 -0.04 0.00 -1.56 0.00 0.00 34.95 31.97 3d4k s ARG 60 CO 0.82 -0.00 0.24 -1.17 -0.81 0.00 0.00 175.30 174.38 3d4k s LEU 61 N 0.75 4.05 0.18 -0.88 2.96 0.24 -4.17 118.68 121.82 3d4k s LEU 61 Ca -0.13 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 3d4k s LEU 61 Cb -0.15 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 3d4k s LEU 61 CO 0.03 -0.10 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.36 3d4k s SER 62 N 1.73 2.57 -0.06 3.68 0.01 -0.72 -0.87 113.70 120.04 3d4k s SER 62 Ca 0.09 -0.94 -0.14 0.00 1.31 0.00 0.00 55.95 56.27 3d4k s SER 62 Cb -0.16 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 65.96 3d4k s SER 62 CO 0.11 -0.12 0.33 0.00 0.41 0.00 0.00 173.24 173.97 3d4k s ALA 63 N -2.55 -0.83 -0.04 1.44 0.00 -0.02 -1.37 121.76 118.40 3d4k s ALA 63 Ca 0.19 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3d4k s ALA 63 Cb -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3d4k s ALA 63 CO 0.07 -0.23 -0.03 0.54 0.00 0.00 0.00 175.76 176.11 3d4k s VAL 64 N -0.79 0.40 -0.06 0.00 0.11 -0.21 -1.39 120.40 118.46 3d4k s VAL 64 Ca -0.09 -0.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 3d4k s VAL 64 Cb -0.04 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3d4k s VAL 64 CO 0.03 0.19 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.10 3d4k s VAL 65 N 0.93 1.71 0.24 2.04 1.01 -0.02 -1.00 120.40 125.30 3d4k s VAL 65 Ca -0.11 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 3d4k s VAL 65 Cb -0.14 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3d4k s VAL 65 CO -0.00 0.48 0.52 -0.94 0.00 0.00 0.00 175.10 175.16 3d4k s SER 66 N 0.15 -0.15 0.05 3.32 1.04 -0.36 -1.29 113.70 116.46 3d4k s SER 66 Ca -0.09 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.62 3d4k s SER 66 Cb -0.14 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3d4k s SER 66 CO 0.05 -1.15 -0.20 -0.31 0.98 0.00 0.00 173.24 172.60 3d4k s TYR 67 N -3.97 1.73 0.20 5.02 2.02 -1.26 -0.89 117.35 120.20 3d4k s TYR 67 Ca 0.18 -0.37 -0.32 0.00 -0.37 0.00 0.00 57.07 56.18 3d4k s TYR 67 Cb -0.02 -1.03 -0.15 0.00 -0.40 0.00 0.00 41.96 40.37 3d4k s TYR 67 CO 0.06 0.09 1.14 -2.30 -1.57 0.00 0.00 175.55 172.98 3d4k n PRO 68 N 1.80 1.25 -3.62 -1.71 -0.02 -1.26 -2.41 135.00 129.03 3d4k n PRO 68 Ca -0.17 0.44 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 3d4k n PRO 68 Cb 0.53 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.88 -3.55 -3.50 2.55 4.13 -1.26 -5.00 115.26 110.51 3d4k n ASN 69 Ca 0.14 -0.88 -0.14 0.00 1.68 0.00 0.00 54.58 55.38 3d4k n ASN 69 Cb 0.26 -4.00 -0.04 0.00 -1.54 0.00 0.00 39.78 34.47 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 -3.56 -1.76 0.31 5.41 0.00 -1.01 -5.15 121.76 116.00 3d4k s ALA 70 Ca 0.25 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 3d4k s ALA 70 Cb -0.07 0.19 -0.10 0.00 0.00 0.00 0.00 23.12 23.14 3d4k s ALA 70 CO 0.82 -0.51 1.21 -0.51 0.00 0.00 0.00 175.76 176.77 3d4k s ASP 71 N -1.77 6.99 0.57 0.00 1.01 -1.26 -4.61 116.67 117.60 3d4k s ASP 71 Ca -0.04 2.50 -0.01 0.00 0.71 0.00 0.00 52.55 55.71 3d4k s ASP 71 Cb -0.00 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.31 3d4k s ASP 71 CO -0.00 -0.36 0.82 -0.94 0.21 0.00 0.00 175.17 174.90 3d4k s SER 72 N -0.67 5.33 -0.04 0.27 1.04 -1.26 -4.73 113.70 113.65 3d4k s SER 72 Ca 0.47 0.24 0.07 0.00 0.48 0.00 0.00 55.95 57.20 3d4k s SER 72 Cb -0.36 -1.16 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 3d4k s SER 72 CO 0.48 -1.14 -0.24 0.00 0.98 0.00 0.00 173.24 173.32 3d4k s ALA 73 N -2.85 2.22 0.04 5.32 0.00 -0.41 -4.97 121.76 121.11 3d4k s ALA 73 Ca 0.56 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3d4k s ALA 73 Cb -0.10 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3d4k s ALA 73 CO 0.40 0.49 -0.09 0.95 0.00 0.00 0.00 175.76 177.52 3d4k s THR 74 N -0.45 0.62 -0.05 0.00 -4.23 -1.26 -0.84 115.64 109.43 3d4k s THR 74 Ca 0.05 -1.03 -0.06 0.00 -1.18 0.00 0.00 61.69 59.48 3d4k s THR 74 Cb -0.11 -0.66 0.01 0.00 1.34 0.00 0.00 72.50 73.08 3d4k s THR 74 CO 0.01 -0.30 0.15 0.54 -0.54 0.00 0.00 174.62 174.48 3d4k s VAL 75 N -1.23 0.02 0.02 2.29 0.11 -0.48 -4.74 120.40 116.38 3d4k s VAL 75 Ca -0.07 -0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 58.84 3d4k s VAL 75 Cb -0.09 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 3d4k s VAL 75 CO 0.01 -0.07 -0.02 -0.44 -3.33 0.00 0.00 175.10 171.24 3d4k s SER 76 N -0.20 0.25 -0.18 3.54 0.01 -1.26 -0.84 113.70 115.02 3d4k s SER 76 Ca -0.03 -0.52 -0.13 0.00 1.31 0.00 0.00 55.95 56.58 3d4k s SER 76 Cb -0.02 0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.37 3d4k s SER 76 CO 0.00 -0.32 0.46 -0.47 0.41 0.00 0.00 173.24 173.32 3d4k s TYR 77 N -1.63 -0.61 -0.18 2.43 5.04 -0.05 -4.94 117.35 117.40 3d4k s TYR 77 Ca -0.14 1.35 -0.28 0.00 -2.44 0.00 0.00 57.07 55.56 3d4k s TYR 77 Cb -0.09 0.26 -0.00 0.00 0.35 0.00 0.00 41.96 42.48 3d4k s TYR 77 CO -0.02 -0.32 0.96 -0.51 -1.34 0.00 0.00 175.55 174.32 3d4k s ASP 78 N 0.96 7.08 -0.18 4.32 1.01 -1.26 -0.59 116.67 128.00 3d4k s ASP 78 Ca -0.06 1.34 -0.13 0.00 0.71 0.00 0.00 52.55 54.41 3d4k s ASP 78 Cb -0.06 -2.51 0.06 0.00 1.01 0.00 0.00 42.92 41.41 3d4k s ASP 78 CO -0.08 -0.52 0.46 0.54 0.21 0.00 0.00 175.17 175.78 3d4k s VAL 79 N 2.55 -0.01 -0.59 -1.27 0.11 -0.74 -4.96 120.40 115.48 3d4k s VAL 79 Ca 0.43 0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 59.32 3d4k s VAL 79 Cb -0.16 -0.67 0.09 0.00 -1.53 0.00 0.00 36.38 34.10 3d4k s VAL 79 CO 0.11 0.02 0.76 -0.62 -3.33 0.00 0.00 175.10 172.04 3d4k s ASP 80 N 0.94 6.19 0.64 3.54 -1.08 -1.26 -4.45 116.67 121.19 3d4k s ASP 80 Ca -0.06 -1.20 0.42 0.00 -0.52 0.00 0.00 52.55 51.19 3d4k s ASP 80 Cb -0.06 -2.33 2.24 0.00 -1.46 0.00 0.00 42.92 41.31 3d4k s ASP 80 CO -0.08 -1.15 2.32 -0.07 0.52 0.00 0.00 175.17 176.71 3d4k h LEU 81 N 10.27 0.00 -1.82 -1.34 3.38 -1.97 -1.63 115.31 122.20 3d4k h LEU 81 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3d4k h LEU 81 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3d4k h LEU 81 CO 1.09 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 180.06 3d4k h ASP 82 N 0.00 0.00 -0.07 -0.43 3.32 -1.91 -1.06 116.42 116.27 3d4k h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d4k h ASP 82 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3d4k h ASP 82 CO 0.00 0.01 0.00 0.59 -1.72 0.00 0.00 179.24 178.12 3d4k n ASN 83 N -3.12 2.63 -0.02 6.45 3.02 -0.62 -4.66 115.26 118.94 3d4k n ASN 83 Ca -0.00 -1.79 -0.04 0.00 -0.03 0.00 0.00 54.58 52.71 3d4k n ASN 83 Cb 0.25 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 3d4k n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3d4k n VAL 84 N 1.06 0.26 -4.08 2.41 0.31 -0.89 -5.08 118.33 112.31 3d4k n VAL 84 Ca 0.12 -0.08 -0.22 0.00 -0.01 0.00 0.00 64.34 64.14 3d4k n VAL 84 Cb 0.47 -1.10 -0.04 0.00 -0.91 0.00 0.00 33.84 32.26 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 -5.74 3.92 0.80 7.52 1.43 -0.45 -4.95 118.68 121.20 3d4k s LEU 85 Ca -0.06 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3d4k s LEU 85 Cb 0.02 -2.46 0.07 0.00 0.03 0.00 0.00 46.19 43.85 3d4k s LEU 85 CO 0.09 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.57 3d4k s PRO 86 N -3.78 2.09 0.22 1.29 0.04 -1.26 -4.76 135.00 128.84 3d4k s PRO 86 Ca 0.33 0.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.05 3d4k s PRO 86 Cb -0.08 -1.91 0.29 0.00 0.04 0.00 0.00 34.50 32.83 3d4k s PRO 86 CO 0.26 -1.65 1.79 1.05 0.04 0.00 0.00 177.00 178.49 3d4k h GLU 87 N -1.11 0.63 -5.88 4.56 9.09 -1.95 -3.41 114.58 116.51 3d4k h GLU 87 Ca -0.47 -0.04 -0.67 0.00 0.05 0.00 0.00 59.36 58.23 3d4k h GLU 87 Cb 1.26 -0.14 -0.17 0.00 -1.65 0.00 0.00 28.75 28.05 3d4k h GLU 87 CO 0.57 0.41 -0.65 -1.58 0.05 0.00 0.00 179.01 177.82 3d4k s TRP 88 N -6.08 3.09 0.33 2.06 0.52 -1.26 -2.15 118.94 115.45 3d4k s TRP 88 Ca -0.13 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.07 3d4k s TRP 88 Cb 0.17 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 3d4k s TRP 88 CO 0.76 0.34 0.39 0.14 0.02 0.00 0.00 176.95 178.59 3d4k s VAL 89 N -0.61 0.00 0.11 4.03 -7.23 -0.21 -4.29 120.40 112.20 3d4k s VAL 89 Ca 0.10 -1.77 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 3d4k s VAL 89 Cb -0.12 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3d4k s VAL 89 CO 0.02 0.00 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.49 3d4k s ARG 90 N -3.24 1.11 0.16 4.82 0.52 -0.51 0.11 118.95 121.92 3d4k s ARG 90 Ca 0.35 -1.18 0.11 0.00 -0.52 0.00 0.00 55.73 54.48 3d4k s ARG 90 Cb 0.01 -1.28 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 3d4k s ARG 90 CO 0.23 0.29 -0.22 0.14 0.02 0.00 0.00 175.30 175.76 3d4k s VAL 91 N -1.38 2.52 0.10 3.52 -7.23 -1.26 -1.83 120.40 114.84 3d4k s VAL 91 Ca 0.07 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 3d4k s VAL 91 Cb -0.09 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.71 3d4k s VAL 91 CO 0.04 -0.01 0.52 0.61 -0.31 0.00 0.00 175.10 175.95 3d4k n GLY 92 N 0.53 0.96 3.28 2.32 0.00 -0.36 -1.14 105.19 110.77 3d4k n GLY 92 Ca -0.15 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 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 2.16 0.06 0.99 1.43 0.25 -0.48 118.68 123.09 3d4k s LEU 93 Ca 0.12 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3d4k s LEU 93 Cb -0.01 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 3d4k s LEU 93 CO 0.03 0.19 -0.06 -0.55 0.23 0.00 0.00 176.35 176.20 3d4k s SER 94 N -1.17 0.82 0.08 2.29 0.15 0.46 -1.12 113.70 115.21 3d4k s SER 94 Ca 0.09 -0.84 -0.26 0.00 0.70 0.00 0.00 55.95 55.64 3d4k s SER 94 Cb -0.09 0.11 0.07 0.00 -1.71 0.00 0.00 66.02 64.40 3d4k s SER 94 CO 0.02 -0.42 0.65 0.00 1.20 0.00 0.00 173.24 174.69 3d4k s ALA 95 N -2.92 -1.67 0.27 5.45 0.00 -0.79 -0.40 121.76 121.69 3d4k s ALA 95 Ca 0.02 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 3d4k s ALA 95 Cb 0.01 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.68 3d4k s ALA 95 CO -0.04 -0.63 0.55 -1.54 0.00 0.00 0.00 175.76 174.10 3d4k s SER 96 N -2.22 -0.08 0.12 0.00 1.04 -1.11 -2.05 113.70 109.40 3d4k s SER 96 Ca -0.02 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 55.44 3d4k s SER 96 Cb -0.01 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3d4k s SER 96 CO -0.06 -1.23 0.20 0.42 0.98 0.00 0.00 173.24 173.56 3d4k s THR 97 N -3.86 0.11 0.00 2.02 -4.23 -0.33 -0.70 115.64 108.65 3d4k s THR 97 Ca 0.20 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 3d4k s THR 97 Cb -0.02 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.18 3d4k s THR 97 CO 0.09 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 3d4k n GLY 98 N -0.12 4.09 0.26 3.99 0.00 -1.26 -1.06 105.19 111.10 3d4k n GLY 98 Ca -0.11 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 0.91-10.02 0.99 5.85 -1.97 -1.09 115.31 109.98 3d4k h LEU 99 Ca 0.00 -0.39 -0.55 0.00 0.84 0.00 0.00 57.88 57.78 3d4k h LEU 99 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3d4k h LEU 99 CO 0.00 1.16 -0.47 -0.31 -0.34 0.00 0.00 178.44 178.48 3d4k s TYR 100 N -4.44 3.48 0.31 1.25 2.02 -1.26 -4.88 117.35 113.82 3d4k s TYR 100 Ca -0.10 0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 3d4k s TYR 100 Cb 0.12 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 3d4k s TYR 100 CO 0.86 0.52 0.16 0.36 -1.57 0.00 0.00 175.55 175.89 3d4k n LYS 101 N -0.46 0.52 -3.63 -0.62 0.00 -1.25 -4.34 118.16 108.38 3d4k n LYS 101 Ca -0.07 -2.75 -0.03 0.00 -0.00 0.00 0.00 58.31 55.46 3d4k n LYS 101 Cb 0.54 1.79 -0.02 0.00 -0.00 0.00 0.00 35.03 37.33 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 -3.19 0.11 0.32 -1.58 -1.05 -1.11 -2.84 118.70 109.36 3d4k s GLU 102 Ca 0.23 -0.03 -0.21 0.00 -0.15 0.00 0.00 54.97 54.81 3d4k s GLU 102 Cb 0.01 0.05 -0.10 0.00 -0.44 0.00 0.00 34.13 33.66 3d4k s GLU 102 CO 0.16 -0.05 0.84 0.95 0.95 0.00 0.00 175.26 178.12 3d4k s THR 103 N -2.03 4.45 -0.52 1.83 -4.23 0.49 -4.77 115.64 110.86 3d4k s THR 103 Ca 0.11 1.42 0.07 0.00 -1.18 0.00 0.00 61.69 62.11 3d4k s THR 103 Cb -0.01 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.35 3d4k s THR 103 CO -0.03 -0.02 0.78 0.59 -0.54 0.00 0.00 174.62 175.39 3d4k n ASN 104 N 0.11 2.79 -4.70 3.99 5.03 -1.26 -3.66 115.26 117.55 3d4k n ASN 104 Ca 0.02 -3.31 -0.41 0.00 0.87 0.00 0.00 54.58 51.76 3d4k n ASN 104 Cb 0.52 -0.62 -0.04 0.00 -1.02 0.00 0.00 39.78 38.62 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 -2.95 4.96 -0.22 3.41 2.01 -1.14 -1.89 115.64 119.83 3d4k s THR 105 Ca 0.42 1.65 -0.06 0.00 0.31 0.00 0.00 61.69 64.01 3d4k s THR 105 Cb 0.24 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3d4k s THR 105 CO -0.09 0.18 0.03 -0.63 -0.69 0.00 0.00 174.62 173.42 3d4k s ILE 106 N 1.16 4.14 -0.14 1.82 -1.09 0.91 -0.80 121.20 127.19 3d4k s ILE 106 Ca 0.42 -0.24 0.21 0.00 -2.23 0.00 0.00 60.65 58.80 3d4k s ILE 106 Cb -0.18 -2.90 -0.16 0.00 -1.58 0.00 0.00 42.46 37.64 3d4k s ILE 106 CO 0.19 0.40 0.74 0.18 -1.23 0.00 0.00 174.94 175.22 3d4k n LEU 107 N 4.45 0.51 -3.49 2.97 4.77 -0.14 -1.53 117.00 124.55 3d4k n LEU 107 Ca -0.17 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3d4k n LEU 107 Cb 0.52 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3d4k n LEU 107 CO 0.31 -0.00 0.61 -0.94 -1.33 0.00 0.00 177.39 176.04 3d4k s SER 108 N -5.19 -0.43 -0.28 -1.43 1.04 -1.23 -4.42 113.70 101.75 3d4k s SER 108 Ca -0.04 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.29 3d4k s SER 108 Cb 0.10 0.44 0.10 0.00 0.10 0.00 0.00 66.02 66.77 3d4k s SER 108 CO 0.84 -0.69 0.75 0.86 0.98 0.00 0.00 173.24 175.98 3d4k s TRP 109 N -3.08 -0.99 0.11 5.02 -0.00 0.11 -2.18 118.94 117.92 3d4k s TRP 109 Ca 0.03 1.93 0.04 0.00 -0.00 0.00 0.00 56.10 58.10 3d4k s TRP 109 Cb -0.01 0.59 -0.04 0.00 -0.00 0.00 0.00 33.47 34.01 3d4k s TRP 109 CO -0.09 -0.49 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.73 3d4k s SER 110 N 1.76 1.58 -0.13 5.86 1.04 0.08 -0.38 113.70 123.52 3d4k s SER 110 Ca -0.09 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.29 3d4k s SER 110 Cb -0.06 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.11 3d4k s SER 110 CO -0.19 -0.26 0.51 0.12 0.98 0.00 0.00 173.24 174.40 3d4k s PHE 111 N -2.55 -0.50 -0.06 5.02 2.19 -0.32 -1.68 117.98 120.07 3d4k s PHE 111 Ca 0.08 1.09 -0.03 0.00 0.33 0.00 0.00 56.93 58.40 3d4k s PHE 111 Cb -0.02 0.22 0.03 0.00 -1.31 0.00 0.00 43.02 41.93 3d4k s PHE 111 CO 0.00 -0.37 0.14 0.99 1.83 0.00 0.00 175.22 177.81 3d4k s THR 112 N -0.38 -0.03 -0.00 0.12 2.01 -0.39 -1.42 115.64 115.55 3d4k s THR 112 Ca -0.05 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.08 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 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.42 3d4k s SER 113 N 0.81 0.52 0.01 3.53 0.15 -0.04 -0.72 113.70 117.97 3d4k s SER 113 Ca -0.06 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3d4k s SER 113 Cb -0.08 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 3d4k s SER 113 CO -0.04 0.05 -0.06 -0.54 1.20 0.00 0.00 173.24 173.85 3d4k s LYS 114 N -0.07 0.48 -0.10 5.44 1.02 0.13 -1.08 119.74 125.57 3d4k s LYS 114 Ca 0.01 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 3d4k s LYS 114 Cb -0.02 -0.39 0.03 0.00 -0.52 0.00 0.00 37.83 36.93 3d4k s LYS 114 CO -0.00 0.10 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.01 3d4k s LEU 115 N -0.62 0.77 -0.28 3.17 1.43 0.33 -1.74 118.68 121.75 3d4k s LEU 115 Ca -0.02 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 3d4k s LEU 115 Cb -0.05 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 3d4k s LEU 115 CO 0.00 -0.20 0.14 -0.75 0.23 0.00 0.00 176.35 175.77 3d4k s LYS 116 N 1.91 3.71 0.52 1.70 2.47 0.20 -0.74 119.74 129.52 3d4k s LYS 116 Ca 0.04 -0.46 -0.21 0.00 -1.56 0.00 0.00 55.97 53.78 3d4k s LYS 116 Cb -0.13 -3.53 -0.06 0.00 -1.46 0.00 0.00 37.83 32.66 3d4k s LYS 116 CO -0.06 -0.24 1.22 -1.54 0.16 0.00 0.00 175.35 174.90 3d4k s SER 117 N 1.68 5.66 0.24 1.43 1.04 0.32 0.75 113.70 124.81 3d4k s SER 117 Ca 0.06 2.44 0.19 0.00 0.48 0.00 0.00 55.95 59.13 3d4k s SER 117 Cb -0.16 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.40 3d4k s SER 117 CO 0.07 -1.28 1.20 -1.13 0.98 0.00 0.00 173.24 173.09 3d4k h ASN 118 N 1.55 0.00 0.22 7.02 -1.24 -0.66 -1.25 115.58 121.23 3d4k h ASN 118 Ca -0.50 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.19 3d4k h ASN 118 Cb 1.27 0.00 0.04 0.00 0.73 0.00 0.00 38.32 40.36 3d4k h ASN 118 CO 0.58 0.27 -1.39 -1.28 -1.29 0.00 0.00 177.43 174.32 3d4k h SER 119 N 0.00 0.84 0.00 1.15 0.87 -1.93 -3.39 113.55 111.09 3d4k h SER 119 Ca -0.04 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 3d4k h SER 119 Cb 1.24 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 3d4k h SER 119 CO 0.03 1.67 0.00 0.35 -0.53 0.00 0.00 176.83 178.35 3d4k n THR 120 N -3.77 0.00 -2.78 2.23 -2.24 -1.26 -5.00 114.28 101.46 3d4k n THR 120 Ca -0.16 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.00 3d4k n THR 120 Cb 1.06 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 70.44 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 -0.13 -1.56 -3.66 4.78 8.25 -0.47 -4.97 115.22 117.47 3d4k n HIS 121 Ca 0.00 0.27 -0.32 0.00 -0.26 0.00 0.00 57.72 57.41 3d4k n HIS 121 Cb 0.03 -3.84 -0.05 0.00 1.12 0.00 0.00 29.99 27.26 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 -5.43 3.64 -0.05 -0.41 0.41 -1.25 -4.76 118.70 110.83 3d4k s GLU 122 Ca 0.17 -0.05 0.02 0.00 -0.41 0.00 0.00 54.97 54.70 3d4k s GLU 122 Cb -0.08 -2.85 -0.03 0.00 -1.78 0.00 0.00 34.13 29.39 3d4k s GLU 122 CO 0.21 0.47 -0.07 0.99 -0.49 0.00 0.00 175.26 176.37 3d4k s THR 123 N -1.64 3.66 -0.07 3.63 2.01 -1.26 -0.52 115.64 121.45 3d4k s THR 123 Ca 0.40 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.88 3d4k s THR 123 Cb -0.12 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 3d4k s THR 123 CO 0.24 0.55 -0.16 0.20 -0.69 0.00 0.00 174.62 174.75 3d4k s ASN 124 N -0.95 3.81 0.07 3.53 -0.87 0.08 -4.96 114.94 115.65 3d4k s ASN 124 Ca 0.13 -0.30 -0.07 0.00 -1.57 0.00 0.00 52.86 51.05 3d4k s ASN 124 Cb -0.11 -1.02 -0.01 0.00 -0.02 0.00 0.00 41.25 40.09 3d4k s ASN 124 CO 0.03 0.28 0.15 0.00 -2.57 0.00 0.00 177.10 174.99 3d4k s ALA 125 N -0.35 -0.13 -0.02 0.60 0.00 -1.26 -0.51 121.76 120.09 3d4k s ALA 125 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 3d4k s ALA 125 Cb -0.12 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3d4k s ALA 125 CO 0.02 -0.44 0.05 -1.17 0.00 0.00 0.00 175.76 174.22 3d4k s LEU 126 N -2.65 1.52 -0.13 0.00 2.96 -0.24 -5.00 118.68 115.14 3d4k s LEU 126 Ca 0.02 0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.93 3d4k s LEU 126 Cb 0.04 0.11 0.04 0.00 0.50 0.00 0.00 46.19 46.88 3d4k s LEU 126 CO -0.09 -0.06 0.33 -2.28 -1.32 0.00 0.00 176.35 172.93 3d4k s HIS 127 N 0.42 -0.41 -0.01 5.38 5.65 -1.26 -0.86 115.29 124.20 3d4k s HIS 127 Ca -0.03 0.96 -0.04 0.00 0.25 0.00 0.00 55.06 56.19 3d4k s HIS 127 Cb -0.05 0.14 -0.00 0.00 -1.18 0.00 0.00 32.58 31.49 3d4k s HIS 127 CO -0.01 -0.22 0.09 -0.59 -0.65 0.00 0.00 174.74 173.35 3d4k s PHE 128 N 0.66 0.03 -0.04 3.88 -0.12 -0.50 -5.00 117.98 116.89 3d4k s PHE 128 Ca -0.04 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.76 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 -0.18 0.06 1.41 -0.05 0.00 0.00 175.22 176.41 3d4k s MET 129 N -0.89 -0.04 -0.21 1.99 1.75 -1.26 -1.18 119.30 119.47 3d4k s MET 129 Ca -0.10 0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.65 3d4k s MET 129 Cb -0.06 -0.33 0.03 0.00 2.84 0.00 0.00 34.83 37.32 3d4k s MET 129 CO 0.00 -0.23 -0.16 -0.06 -0.65 0.00 0.00 175.02 173.92 3d4k s PHE 130 N 1.52 2.96 -0.55 4.11 0.08 0.49 -4.92 117.98 121.67 3d4k s PHE 130 Ca -0.04 -1.87 0.07 0.00 0.12 0.00 0.00 56.93 55.21 3d4k s PHE 130 Cb -0.12 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3d4k s PHE 130 CO -0.03 -0.83 0.45 0.09 -0.10 0.00 0.00 175.22 174.80 3d4k n ASN 131 N 4.56 0.79 -3.73 1.36 3.02 -1.26 -0.71 115.26 119.29 3d4k n ASN 131 Ca -0.18 -0.90 -0.12 0.00 -0.03 0.00 0.00 54.58 53.35 3d4k n ASN 131 Cb 0.47 0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 40.19 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 -1.30 0.43 -0.09 3.52 0.74 -1.26 -4.74 119.66 116.96 3d4k s GLN 132 Ca 0.05 0.61 -0.01 0.00 0.05 0.00 0.00 55.36 56.06 3d4k s GLN 132 Cb 0.06 0.14 -0.03 0.00 1.10 0.00 0.00 33.01 34.28 3d4k s GLN 132 CO 0.22 -0.09 -0.04 -0.06 -0.55 0.00 0.00 175.29 174.77 3d4k s PHE 133 N 0.57 3.02 0.22 1.67 0.08 0.80 -5.01 117.98 119.33 3d4k s PHE 133 Ca -0.03 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.05 3d4k s PHE 133 Cb -0.05 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 3d4k s PHE 133 CO -0.03 0.31 0.39 -1.12 -0.10 0.00 0.00 175.22 174.67 3d4k s SER 134 N -0.63 6.35 0.54 1.36 0.01 -1.26 -3.99 113.70 116.08 3d4k s SER 134 Ca 0.10 0.30 0.22 0.00 1.31 0.00 0.00 55.95 57.88 3d4k s SER 134 Cb -0.12 -1.97 1.43 0.00 0.21 0.00 0.00 66.02 65.58 3d4k s SER 134 CO 0.02 -0.07 2.10 0.07 0.41 0.00 0.00 173.24 175.77 3d4k h LYS 135 N 1.66 0.00 -2.36 12.44 -0.00 -1.85 -3.08 116.57 123.38 3d4k h LYS 135 Ca -0.49 0.00 -0.59 0.00 -0.00 0.00 0.00 60.65 59.57 3d4k h LYS 135 Cb 1.20 0.00 -0.40 0.00 -0.00 0.00 0.00 32.23 33.03 3d4k h LYS 135 CO 0.66 0.00 -0.84 -3.47 -0.00 0.00 0.00 179.45 175.80 3d4k n ASP 136 N -4.29 1.48 -4.52 7.07 2.03 -1.26 -4.76 116.55 112.31 3d4k n ASP 136 Ca 0.02 -2.91 -0.42 0.00 0.52 0.00 0.00 54.79 52.00 3d4k n ASP 136 Cb 0.29 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.01 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 -1.26 3.51 0.23 -0.67 2.00 -1.17 -4.89 119.66 117.42 3d4k s GLN 137 Ca 0.34 -1.19 0.20 0.00 -2.00 0.00 0.00 55.36 52.70 3d4k s GLN 137 Cb 0.09 -5.00 0.92 0.00 0.80 0.00 0.00 33.01 29.82 3d4k s GLN 137 CO -0.12 -2.04 1.60 1.63 -0.50 0.00 0.00 175.29 175.86 3d4k n LYS 138 N 8.14 0.14 -0.38 1.67 5.02 -1.26 -2.14 118.16 129.35 3d4k n LYS 138 Ca 0.24 0.49 0.09 0.00 -2.02 0.00 0.00 58.31 57.11 3d4k n LYS 138 Cb 0.50 -1.83 0.27 0.00 -0.02 0.00 0.00 35.03 33.94 3d4k n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3d4k n ASP 139 N -2.10 3.42 -4.22 4.39 5.68 -1.26 -4.87 116.55 117.59 3d4k n ASP 139 Ca 0.01 -2.15 -0.24 0.00 -0.50 0.00 0.00 54.79 51.91 3d4k n ASP 139 Cb 0.13 -0.44 -0.14 0.00 -1.14 0.00 0.00 41.12 39.53 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 -1.23 2.16 -0.34 -2.12 1.43 -0.91 -0.95 118.68 116.73 3d4k s LEU 140 Ca 0.39 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3d4k s LEU 140 Cb 0.23 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.63 3d4k s LEU 140 CO 0.23 0.12 0.10 -0.63 0.23 0.00 0.00 176.35 176.41 3d4k s ILE 141 N -0.80 3.72 -0.04 -0.59 1.01 0.31 -4.86 121.20 119.94 3d4k s ILE 141 Ca 0.06 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 3d4k s ILE 141 Cb -0.08 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 3d4k s ILE 141 CO 0.02 -0.18 0.45 -0.76 0.00 0.00 0.00 174.94 174.47 3d4k s LEU 142 N 1.39 4.40 0.09 2.97 1.43 -1.26 -1.41 118.68 126.29 3d4k s LEU 142 Ca -0.02 0.93 0.07 0.00 -1.03 0.00 0.00 54.13 54.08 3d4k s LEU 142 Cb -0.20 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3d4k s LEU 142 CO 0.02 0.19 -0.19 -1.10 0.23 0.00 0.00 176.35 175.51 3d4k s GLN 143 N -0.40 1.02 7.19 1.70 -0.21 -0.10 -4.99 119.66 123.88 3d4k s GLN 143 Ca 0.25 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.53 3d4k s GLN 143 Cb -0.16 -1.20 0.00 0.00 1.00 0.00 0.00 33.01 32.65 3d4k s GLN 143 CO 0.13 0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 3d4k n GLY 144 N 1.12 2.85 0.42 3.09 0.00 -1.26 -1.80 105.19 109.62 3d4k n GLY 144 Ca -0.20 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 4.64 1.27 -4.76 1.61 8.00 0.19 -4.95 116.55 122.55 3d4k n ASP 145 Ca 0.00 -1.56 -0.41 0.00 0.71 0.00 0.00 54.79 53.53 3d4k n ASP 145 Cb 0.00 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.89 3.57 0.05 2.24 0.00 -1.12 -4.31 121.76 120.30 3d4k s ALA 146 Ca 0.34 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.61 3d4k s ALA 146 Cb 0.18 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3d4k s ALA 146 CO 0.28 -0.78 0.10 0.95 0.00 0.00 0.00 175.76 176.31 3d4k s THR 147 N -0.72 0.15 0.16 0.00 -4.23 -0.58 -4.71 115.64 105.71 3d4k s THR 147 Ca 0.54 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 3d4k s THR 147 Cb -0.42 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 3d4k s THR 147 CO 0.52 -0.68 -0.06 0.42 -0.54 0.00 0.00 174.62 174.28 3d4k s THR 148 N -3.10 0.96 0.00 3.99 -4.23 -1.26 -0.54 115.64 111.46 3d4k s THR 148 Ca -0.01 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3d4k s THR 148 Cb 0.02 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.90 3d4k s THR 148 CO -0.07 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 3d4k n GLY 149 N -0.22 3.37 3.63 3.99 0.00 -1.07 -4.27 105.19 110.62 3d4k n GLY 149 Ca -0.09 -0.96 -0.47 0.00 0.00 0.00 0.00 46.02 44.51 3d4k n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3d4k n THR 150 N 0.00 0.52 -1.53 2.61 -1.04 -1.26 -1.34 114.28 112.25 3d4k n THR 150 Ca 0.00 -0.20 -0.17 0.00 -2.04 0.00 0.00 64.05 61.64 3d4k n THR 150 Cb 0.00 -2.06 -0.07 0.00 -1.82 0.00 0.00 70.33 66.38 3d4k n THR 150 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3d4k n ASP 151 N 8.21 -4.47 -0.76 8.00 8.00 -1.26 -0.80 116.55 133.46 3d4k n ASP 151 Ca 0.26 0.40 -0.10 0.00 0.71 0.00 0.00 54.79 56.06 3d4k n ASP 151 Cb 0.34 -4.03 -0.04 0.00 -0.02 0.00 0.00 41.12 37.36 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 -0.34 1.13 3.83 0.44 0.00 -0.45 -4.94 105.19 104.86 3d4k n GLY 152 Ca -0.17 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.85 4.76 -0.24 1.61 0.01 0.02 -0.14 114.94 118.11 3d4k s ASN 153 Ca 0.00 -0.93 -0.03 0.00 -0.71 0.00 0.00 52.86 51.19 3d4k s ASN 153 Cb 0.00 -0.43 0.01 0.00 0.41 0.00 0.00 41.25 41.24 3d4k s ASN 153 CO 0.00 -0.66 -0.06 -0.22 -1.51 0.00 0.00 177.10 174.65 3d4k s LEU 154 N -4.06 3.04 -0.48 0.60 2.96 -0.58 -2.59 118.68 117.57 3d4k s LEU 154 Ca 0.44 -0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 3d4k s LEU 154 Cb -0.00 -1.69 0.09 0.00 0.50 0.00 0.00 46.19 45.09 3d4k s LEU 154 CO 0.25 -0.08 0.39 -1.61 -1.32 0.00 0.00 176.35 173.98 3d4k s GLU 155 N 1.39 2.86 0.32 1.98 0.41 0.30 -0.06 118.70 125.90 3d4k s GLU 155 Ca 0.03 -1.50 0.01 0.00 -0.41 0.00 0.00 54.97 53.10 3d4k s GLU 155 Cb -0.15 -4.09 0.54 0.00 -1.78 0.00 0.00 34.13 28.65 3d4k s GLU 155 CO -0.04 -1.11 1.91 -0.07 -0.49 0.00 0.00 175.26 175.46 3d4k h LEU 156 N 8.69 0.69 -9.42 1.80 3.38 -1.64 -1.55 115.31 117.27 3d4k h LEU 156 Ca -0.27 -0.08 -0.61 0.00 0.09 0.00 0.00 57.88 57.01 3d4k h LEU 156 Cb 1.10 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 3d4k h LEU 156 CO 0.89 0.62 -0.69 0.42 0.09 0.00 0.00 178.44 179.78 3d4k s THR 157 N -5.36 2.38 0.12 0.22 -4.23 -1.26 -2.78 115.64 104.73 3d4k s THR 157 Ca -0.09 -2.20 -0.34 0.00 -1.18 0.00 0.00 61.69 57.88 3d4k s THR 157 Cb 0.16 -2.60 -0.13 0.00 1.34 0.00 0.00 72.50 71.27 3d4k s THR 157 CO 0.78 -0.25 1.64 -1.14 -0.54 0.00 0.00 174.62 175.11 3d4k n ARG 158 N -0.79 2.19 -4.38 3.99 3.00 -1.26 -4.80 116.66 114.62 3d4k n ARG 158 Ca -0.05 0.79 -0.26 0.00 -0.00 0.00 0.00 57.85 58.33 3d4k n ARG 158 Cb 0.62 -2.58 -0.17 0.00 0.00 0.00 0.00 32.46 30.33 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 1.54 1.21 1.01 5.15 1.01 -1.26 -1.01 120.40 128.05 3d4k s VAL 159 Ca 0.81 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 3d4k s VAL 159 Cb -0.67 -1.13 0.20 0.00 0.00 0.00 0.00 36.38 34.77 3d4k s VAL 159 CO 0.40 0.38 1.17 -0.94 0.00 0.00 0.00 175.10 176.11 3d4k s SER 160 N 1.01 2.66 0.26 3.32 1.04 -0.09 -4.89 113.70 117.01 3d4k s SER 160 Ca -0.08 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.06 3d4k s SER 160 Cb -0.15 -1.09 0.47 0.00 0.10 0.00 0.00 66.02 65.35 3d4k s SER 160 CO -0.01 -3.06 1.81 0.28 0.98 0.00 0.00 173.24 173.25 3d4k h SER 161 N -1.85 0.75 0.00 7.02 0.02 -2.01 -0.55 113.55 116.93 3d4k h SER 161 Ca -0.48 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3d4k h SER 161 Cb 1.30 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3d4k h SER 161 CO 0.49 0.41 0.00 -0.46 -1.14 0.00 0.00 176.83 176.12 3d4k n ASN 162 N -4.71 0.00 0.00 3.07 0.23 -1.26 -4.86 115.26 107.73 3d4k n ASN 162 Ca 0.16 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 3d4k n ASN 162 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.56 0.76 3.73 4.83 0.00 -0.21 -5.05 105.19 109.81 3d4k n GLY 163 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.66 7.17 0.54 1.61 0.01 -1.26 -4.77 113.70 114.35 3d4k s SER 164 Ca 0.00 1.40 -0.20 0.00 1.31 0.00 0.00 55.95 58.46 3d4k s SER 164 Cb 0.00 -2.47 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 3d4k s SER 164 CO 0.00 -0.07 1.15 -2.16 0.41 0.00 0.00 173.24 172.57 3d4k s PRO 165 N 0.37 3.32 0.13 12.44 0.04 -1.26 -0.91 135.00 149.13 3d4k s PRO 165 Ca 0.40 1.67 0.05 0.00 0.04 0.00 0.00 61.00 63.17 3d4k s PRO 165 Cb -0.20 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3d4k s PRO 165 CO 0.22 -0.89 0.05 -0.65 0.04 0.00 0.00 177.00 175.77 3d4k s GLN 166 N -3.23 2.66 0.85 4.56 -1.52 -0.18 -4.83 119.66 117.98 3d4k s GLN 166 Ca 0.73 -0.88 -0.09 0.00 -1.95 0.00 0.00 55.36 53.17 3d4k s GLN 166 Cb -0.26 -2.56 0.17 0.00 -0.22 0.00 0.00 33.01 30.14 3d4k s GLN 166 CO 0.29 0.51 1.17 0.20 -0.25 0.00 0.00 175.29 177.21 3d4k s GLY 167 N -2.66 1.77 -1.55 3.09 0.00 -1.26 -4.39 107.32 102.32 3d4k s GLY 167 Ca 0.28 -1.45 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 3d4k s GLY 167 CO 0.20 -0.77 0.42 1.44 0.00 0.00 0.00 173.10 174.39 3d4k n SER 168 N -3.33 -0.86 -4.35 1.64 7.64 -0.41 -4.85 113.62 109.09 3d4k n SER 168 Ca 0.15 -1.09 -0.25 0.00 1.01 0.00 0.00 58.87 58.70 3d4k n SER 168 Cb 0.60 -2.55 -0.12 0.00 -1.01 0.00 0.00 64.21 61.13 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 -4.03 2.95 -0.18 6.43 0.15 -1.17 -4.97 113.70 112.87 3d4k s SER 169 Ca 0.24 -0.80 -0.16 0.00 0.70 0.00 0.00 55.95 55.93 3d4k s SER 169 Cb -0.13 -0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.04 3d4k s SER 169 CO 0.93 0.07 0.49 0.54 1.20 0.00 0.00 173.24 176.47 3d4k s VAL 170 N -1.54 -0.00 -0.05 4.45 0.11 -1.26 -1.19 120.40 120.92 3d4k s VAL 170 Ca 0.14 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.90 3d4k s VAL 170 Cb -0.08 -0.68 0.07 0.00 -1.53 0.00 0.00 36.38 34.16 3d4k s VAL 170 CO 0.07 0.00 0.70 -0.83 -3.33 0.00 0.00 175.10 171.71 3d4k s GLY 171 N 0.41 -0.56 0.11 6.54 0.00 -0.87 -0.64 107.32 112.32 3d4k s GLY 171 Ca -0.01 1.34 -0.03 0.00 0.00 0.00 0.00 44.72 46.01 3d4k s GLY 171 CO -0.01 0.92 0.09 0.50 0.00 0.00 0.00 173.10 174.60 3d4k s ARG 172 N -1.32 0.88 -0.04 2.90 0.52 -0.74 -1.88 118.95 119.27 3d4k s ARG 172 Ca -0.10 -1.27 -0.01 0.00 -0.52 0.00 0.00 55.73 53.83 3d4k s ARG 172 Cb -0.00 0.27 0.03 0.00 0.52 0.00 0.00 34.95 35.77 3d4k s ARG 172 CO 0.08 -0.25 0.03 0.00 0.02 0.00 0.00 175.30 175.18 3d4k s ALA 173 N -3.98 0.25 0.03 2.13 0.00 -0.28 -0.92 121.76 119.00 3d4k s ALA 173 Ca 0.16 0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.39 3d4k s ALA 173 Cb 0.06 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 3d4k s ALA 173 CO -0.03 -0.29 -0.25 -0.51 0.00 0.00 0.00 175.76 174.68 3d4k s LEU 174 N 1.58 2.14 0.30 0.00 1.02 -0.50 -0.58 118.68 122.65 3d4k s LEU 174 Ca -0.02 -0.55 -0.29 0.00 0.02 0.00 0.00 54.13 53.29 3d4k s LEU 174 Cb -0.13 -1.23 -0.10 0.00 0.02 0.00 0.00 46.19 44.76 3d4k s LEU 174 CO -0.03 0.25 1.25 0.12 0.02 0.00 0.00 176.35 177.96 3d4k s PHE 175 N -0.76 3.23 0.17 0.29 5.36 -0.29 -0.53 117.98 125.44 3d4k s PHE 175 Ca 0.11 1.48 -0.15 0.00 -0.96 0.00 0.00 56.93 57.41 3d4k s PHE 175 Cb -0.10 -3.56 0.10 0.00 -0.34 0.00 0.00 43.02 39.13 3d4k s PHE 175 CO 0.01 -1.47 1.75 -0.92 -1.46 0.00 0.00 175.22 173.14 3d4k h TYR 176 N 3.70 0.27 -3.54 10.12 3.20 -1.37 -3.43 116.97 125.92 3d4k h TYR 176 Ca -0.48 0.02 -0.52 0.00 3.14 0.00 0.00 58.73 60.89 3d4k h TYR 176 Cb 1.22 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 3d4k h TYR 176 CO 0.57 0.11 0.43 0.00 -1.64 0.00 0.00 178.16 177.63 3d4k s ALA 177 N -6.15 3.32 0.74 1.82 0.00 -1.26 -5.03 121.76 115.20 3d4k s ALA 177 Ca -0.13 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.41 3d4k s ALA 177 Cb 0.13 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.97 3d4k s ALA 177 CO 0.72 -0.15 1.15 -2.14 0.00 0.00 0.00 175.76 175.34 3d4k s PRO 178 N -0.10 2.19 -0.06 0.00 0.02 -1.26 -4.79 135.00 131.00 3d4k s PRO 178 Ca 0.49 1.51 0.06 0.00 0.02 0.00 0.00 61.00 63.08 3d4k s PRO 178 Cb -0.27 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 3d4k s PRO 178 CO 0.32 -1.74 -0.24 0.08 -0.33 0.00 0.00 177.00 175.08 3d4k s VAL 179 N -2.35 2.01 -0.85 3.83 1.01 0.30 -4.94 120.40 119.41 3d4k s VAL 179 Ca 0.69 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 3d4k s VAL 179 Cb -0.23 -1.71 0.11 0.00 0.00 0.00 0.00 36.38 34.55 3d4k s VAL 179 CO 0.48 0.56 1.08 -2.28 0.00 0.00 0.00 175.10 174.93 3d4k s HIS 180 N -0.09 2.99 0.25 5.22 2.46 -1.26 -1.05 115.29 123.81 3d4k s HIS 180 Ca -0.05 -1.15 0.09 0.00 0.47 0.00 0.00 55.06 54.41 3d4k s HIS 180 Cb -0.14 -4.28 0.27 0.00 -0.13 0.00 0.00 32.58 28.30 3d4k s HIS 180 CO 0.04 -1.53 1.56 0.97 -2.47 0.00 0.00 174.74 173.32 3d4k h ILE 181 N 5.90 1.46 -2.89 0.89 6.09 -1.75 -3.46 117.51 123.75 3d4k h ILE 181 Ca 0.03 -2.22 -0.06 0.00 -1.37 0.00 0.00 64.86 61.24 3d4k h ILE 181 Cb 1.04 2.19 -0.16 0.00 0.47 0.00 0.00 36.82 40.36 3d4k h ILE 181 CO 1.13 0.64 0.01 -1.66 -3.07 0.00 0.00 178.15 175.20 3d4k s TRP 182 N -3.55 -0.38 -0.23 2.19 1.48 -1.23 -4.78 118.94 112.45 3d4k s TRP 182 Ca -0.02 0.36 -0.08 0.00 -1.06 0.00 0.00 56.10 55.31 3d4k s TRP 182 Cb 0.12 0.32 0.10 0.00 -1.16 0.00 0.00 33.47 32.85 3d4k s TRP 182 CO 0.78 -0.64 0.48 -2.00 -4.06 0.00 0.00 176.95 171.50 3d4k s GLU 183 N -2.64 0.39 0.53 3.25 2.12 -1.26 -4.74 118.70 116.34 3d4k s GLU 183 Ca -0.04 1.15 0.32 0.00 0.36 0.00 0.00 54.97 56.76 3d4k s GLU 183 Cb -0.00 0.48 1.48 0.00 0.26 0.00 0.00 34.13 36.34 3d4k s GLU 183 CO -0.03 -0.24 1.85 1.03 -0.54 0.00 0.00 175.26 177.32 3d4k h SER 184 N 8.12 0.04 -0.55 -1.70 0.87 -2.01 -0.22 113.55 118.11 3d4k h SER 184 Ca -0.16 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.08 3d4k h SER 184 Cb 1.11 -0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.90 3d4k h SER 184 CO 0.12 0.01 0.42 -1.20 -0.53 0.00 0.00 176.83 175.65 3d4k n SER 185 N -4.26 4.87 -4.23 6.23 7.64 -1.26 -4.89 113.62 117.72 3d4k n SER 185 Ca 0.22 -3.01 -0.28 0.00 1.01 0.00 0.00 58.87 56.80 3d4k n SER 185 Cb 1.07 -0.85 -0.16 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.95 1.84 0.07 -0.43 0.00 -0.09 0.07 121.76 121.26 3d4k s ALA 186 Ca 0.33 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 3d4k s ALA 186 Cb 0.27 -0.52 -0.26 0.00 0.00 0.00 0.00 23.12 22.61 3d4k s ALA 186 CO 0.03 0.41 1.13 0.28 0.00 0.00 0.00 175.76 177.61 3d4k h VAL 187 N 4.83 1.37 -3.29 0.00 2.07 0.15 -3.44 116.25 117.94 3d4k h VAL 187 Ca -0.37 -2.69 -0.23 0.00 0.82 0.00 0.00 66.70 64.23 3d4k h VAL 187 Cb 1.15 2.79 -0.30 0.00 -1.52 0.00 0.00 31.29 33.41 3d4k h VAL 187 CO 0.48 0.80 -0.58 -0.69 0.02 0.00 0.00 177.57 177.60 3d4k s VAL 188 N -2.86 -0.03 0.00 2.57 1.01 -1.23 -4.92 120.40 114.93 3d4k s VAL 188 Ca -0.07 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3d4k s VAL 188 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 3d4k s VAL 188 CO 0.91 0.05 -0.07 0.00 0.00 0.00 0.00 175.10 175.99 3d4k s ALA 189 N 0.83 0.60 0.04 5.51 0.00 -1.26 -0.63 121.76 126.86 3d4k s ALA 189 Ca -0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 3d4k s ALA 189 Cb -0.08 -0.12 0.09 0.00 0.00 0.00 0.00 23.12 23.01 3d4k s ALA 189 CO -0.04 0.13 0.81 -1.54 0.00 0.00 0.00 175.76 175.11 3d4k s SER 190 N -0.39 -0.42 0.09 0.00 1.04 -0.71 0.59 113.70 113.91 3d4k s SER 190 Ca 0.01 -0.00 -0.18 0.00 0.48 0.00 0.00 55.95 56.26 3d4k s SER 190 Cb -0.04 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.57 3d4k s SER 190 CO -0.00 -0.72 0.43 0.72 0.98 0.00 0.00 173.24 174.64 3d4k s PHE 191 N -3.30 -0.26 -0.04 5.02 -0.12 -0.28 -0.69 117.98 118.31 3d4k s PHE 191 Ca 0.04 0.08 -0.11 0.00 -0.05 0.00 0.00 56.93 56.89 3d4k s PHE 191 Cb -0.01 0.27 0.02 0.00 -0.63 0.00 0.00 43.02 42.67 3d4k s PHE 191 CO -0.10 -0.66 0.24 -2.00 -0.05 0.00 0.00 175.22 172.65 3d4k s GLU 192 N -3.24 0.48 0.01 1.99 2.12 0.11 -1.68 118.70 118.49 3d4k s GLU 192 Ca -0.01 -0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 3d4k s GLU 192 Cb 0.01 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 3d4k s GLU 192 CO -0.08 -0.11 0.02 0.00 -0.54 0.00 0.00 175.26 174.55 3d4k s ALA 193 N -0.81 -0.01 -0.07 6.30 0.00 -0.13 -1.26 121.76 125.77 3d4k s ALA 193 Ca -0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 3d4k s ALA 193 Cb -0.05 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3d4k s ALA 193 CO 0.02 -0.14 0.21 0.99 0.00 0.00 0.00 175.76 176.84 3d4k s THR 194 N -1.14 0.01 -0.06 0.00 2.01 -0.68 -0.42 115.64 115.36 3d4k s THR 194 Ca -0.12 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 3d4k s THR 194 Cb -0.08 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.16 3d4k s THR 194 CO -0.00 -0.03 0.48 0.72 -0.69 0.00 0.00 174.62 175.10 3d4k s PHE 195 N 0.00 -0.43 -0.08 4.92 -0.12 -0.60 -0.74 117.98 120.95 3d4k s PHE 195 Ca -0.01 0.79 0.00 0.00 -0.05 0.00 0.00 56.93 57.67 3d4k s PHE 195 Cb -0.02 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 3d4k s PHE 195 CO 0.00 -0.45 -0.07 0.95 -0.05 0.00 0.00 175.22 175.61 3d4k s THR 196 N -0.97 3.70 0.17 -4.49 -4.23 -0.93 -0.87 115.64 108.02 3d4k s THR 196 Ca -0.10 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 3d4k s THR 196 Cb -0.03 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 3d4k s THR 196 CO 0.06 0.59 -0.02 0.72 -0.54 0.00 0.00 174.62 175.42 3d4k s PHE 197 N -0.70 1.21 -0.24 3.99 -0.12 -0.41 -0.96 117.98 120.74 3d4k s PHE 197 Ca 0.11 -0.96 -0.04 0.00 -0.05 0.00 0.00 56.93 55.99 3d4k s PHE 197 Cb -0.11 -0.68 0.08 0.00 -0.63 0.00 0.00 43.02 41.68 3d4k s PHE 197 CO 0.02 -0.15 0.10 -1.17 -0.05 0.00 0.00 175.22 173.97 3d4k s LEU 198 N -3.17 0.87 -0.28 -1.99 2.96 0.02 -0.73 118.68 116.36 3d4k s LEU 198 Ca 0.22 -1.08 -0.08 0.00 -0.22 0.00 0.00 54.13 52.97 3d4k s LEU 198 Cb 0.05 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.29 3d4k s LEU 198 CO 0.03 -0.39 0.10 -0.63 -1.32 0.00 0.00 176.35 174.14 3d4k s ILE 199 N 1.99 4.29 -0.01 6.68 1.01 -1.26 -2.87 121.20 131.04 3d4k s ILE 199 Ca 0.05 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3d4k s ILE 199 Cb -0.16 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 3d4k s ILE 199 CO -0.22 0.16 -0.12 -0.75 0.00 0.00 0.00 174.94 174.01 3d4k s LYS 200 N 1.58 0.99 -0.07 2.79 2.20 -1.24 -0.47 119.74 125.52 3d4k s LYS 200 Ca 0.05 -0.46 -0.10 0.00 -0.36 0.00 0.00 55.97 55.10 3d4k s LYS 200 Cb -0.16 -0.96 0.02 0.00 -1.51 0.00 0.00 37.83 35.22 3d4k s LYS 200 CO 0.04 0.26 0.24 0.45 -0.36 0.00 0.00 175.35 175.99 3d4k s SER 201 N -0.34 -0.20 -0.02 1.43 0.15 -1.26 -0.38 113.70 113.07 3d4k s SER 201 Ca 0.04 0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.79 3d4k s SER 201 Cb -0.05 0.43 -0.23 0.00 -1.71 0.00 0.00 66.02 64.46 3d4k s SER 201 CO -0.00 -0.20 1.07 1.55 1.20 0.00 0.00 173.24 176.86 3d4k h PRO 202 N 5.17 0.28 -7.32 5.44 0.13 -1.99 -3.46 132.00 130.25 3d4k h PRO 202 Ca -0.27 -0.28 -0.45 0.00 -0.87 0.00 0.00 66.00 64.13 3d4k h PRO 202 Cb 1.19 0.08 0.17 0.00 0.13 0.00 0.00 31.00 32.57 3d4k h PRO 202 CO 0.37 0.98 0.15 0.16 -0.23 0.00 0.00 178.00 179.43 3d4k s ASP 203 N -6.48 2.21 0.31 1.44 1.47 -1.26 -4.95 116.67 109.41 3d4k s ASP 203 Ca -0.15 1.23 0.25 0.00 1.18 0.00 0.00 52.55 55.06 3d4k s ASP 203 Cb 0.02 -1.92 0.62 0.00 -0.34 0.00 0.00 42.92 41.30 3d4k s ASP 203 CO 0.77 -3.40 1.71 0.77 0.68 0.00 0.00 175.17 175.70 3d4k h SER 204 N -2.07 0.00 -3.72 2.11 4.64 -1.99 -3.39 113.55 109.12 3d4k h SER 204 Ca -0.56 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.13 3d4k h SER 204 Cb 1.33 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.01 3d4k h SER 204 CO 0.56 0.00 -0.64 -1.00 -0.87 0.00 0.00 176.83 174.88 3d4k s HIS 205 N -3.16 3.01 0.75 4.77 3.76 -1.26 -5.11 115.29 118.06 3d4k s HIS 205 Ca 0.09 -3.07 -0.12 0.00 -0.15 0.00 0.00 55.06 51.81 3d4k s HIS 205 Cb 0.09 -2.54 0.05 0.00 1.11 0.00 0.00 32.58 31.29 3d4k s HIS 205 CO 0.62 -0.69 1.11 -1.25 -0.85 0.00 0.00 174.74 173.68 3d4k s PRO 206 N -0.55 2.29 0.05 8.40 0.04 -1.26 -4.53 135.00 139.43 3d4k s PRO 206 Ca 0.20 1.28 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 3d4k s PRO 206 Cb -0.17 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.56 3d4k s PRO 206 CO -0.06 -1.63 0.76 0.00 0.04 0.00 0.00 177.00 176.10 3d4k s ALA 207 N -2.70 -1.73 -0.12 8.56 0.00 -1.13 -4.15 121.76 120.49 3d4k s ALA 207 Ca 0.64 0.87 0.07 0.00 0.00 0.00 0.00 51.96 53.53 3d4k s ALA 207 Cb -0.19 0.50 -0.10 0.00 0.00 0.00 0.00 23.12 23.33 3d4k s ALA 207 CO 0.52 -0.67 0.20 -0.25 0.00 0.00 0.00 175.76 175.57 3d4k n ASP 208 N -0.13 2.28 0.00 0.00 9.92 0.13 -2.75 116.55 126.00 3d4k n ASP 208 Ca -0.13 -0.24 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 3d4k n ASP 208 Cb 0.62 1.21 0.00 0.00 -0.64 0.00 0.00 41.12 42.31 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 1.76 1.70 3.16 0.44 0.00 -1.22 -2.42 105.19 108.61 3d4k n GLY 209 Ca -0.00 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.40 1.07 -0.04 -0.61 1.01 -0.68 -2.75 121.20 117.80 3d4k s ILE 210 Ca 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 60.65 59.27 3d4k s ILE 210 Cb 0.00 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3d4k s ILE 210 CO 0.00 -0.23 0.23 0.00 0.00 0.00 0.00 174.94 174.94 3d4k s ALA 211 N -1.27 -0.56 -0.18 9.38 0.00 0.46 -0.05 121.76 129.55 3d4k s ALA 211 Ca -0.02 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 3d4k s ALA 211 Cb -0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 3d4k s ALA 211 CO 0.02 -0.19 0.13 0.12 0.00 0.00 0.00 175.76 175.84 3d4k s PHE 212 N -0.78 3.44 0.12 0.00 5.36 -0.53 -0.40 117.98 125.19 3d4k s PHE 212 Ca -0.09 0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.24 3d4k s PHE 212 Cb -0.05 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 3d4k s PHE 212 CO 0.02 0.39 0.01 -0.59 -1.46 0.00 0.00 175.22 173.59 3d4k s PHE 213 N 0.03 0.85 -0.05 10.12 -0.12 0.37 -1.26 117.98 127.92 3d4k s PHE 213 Ca 0.09 -1.13 0.02 0.00 -0.05 0.00 0.00 56.93 55.87 3d4k s PHE 213 Cb -0.11 -0.51 0.01 0.00 -0.63 0.00 0.00 43.02 41.78 3d4k s PHE 213 CO -0.00 -0.39 -0.10 0.42 -0.05 0.00 0.00 175.22 175.09 3d4k s ILE 214 N -3.90 0.94 0.37 -4.49 1.01 0.08 -1.23 121.20 113.97 3d4k s ILE 214 Ca 0.19 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 3d4k s ILE 214 Cb 0.07 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.70 3d4k s ILE 214 CO -0.01 0.30 0.58 -1.54 0.00 0.00 0.00 174.94 174.27 3d4k n SER 215 N 3.70 -1.64 -4.75 3.58 3.41 -0.76 -2.05 113.62 115.11 3d4k n SER 215 Ca -0.22 -2.85 -0.38 0.00 -0.26 0.00 0.00 58.87 55.16 3d4k n SER 215 Cb 0.52 2.94 0.05 0.00 -0.26 0.00 0.00 64.21 67.45 3d4k n SER 215 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3d4k n ASN 216 N -1.59 2.67 -0.16 4.04 6.94 -1.20 -1.42 115.26 124.54 3d4k n ASN 216 Ca -0.02 0.96 0.20 0.00 -0.02 0.00 0.00 54.58 55.70 3d4k n ASN 216 Cb 0.60 -1.58 0.58 0.00 -2.36 0.00 0.00 39.78 37.02 3d4k n ASN 216 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3d4k h ILE 217 N 1.33 0.70 -0.68 1.53 3.07 -1.86 -1.89 117.51 119.72 3d4k h ILE 217 Ca -0.51 -0.09 -0.24 0.00 1.55 0.00 0.00 64.86 65.58 3d4k h ILE 217 Cb 1.31 0.42 -0.14 0.00 -0.27 0.00 0.00 36.82 38.14 3d4k h ILE 217 CO 0.57 0.05 0.30 -0.90 -1.05 0.00 0.00 178.15 177.11 3d4k n ASP 218 N -4.43 4.26 -4.77 2.16 5.75 -1.26 -4.83 116.55 113.42 3d4k n ASP 218 Ca 0.16 -3.09 -0.41 0.00 -0.01 0.00 0.00 54.79 51.44 3d4k n ASP 218 Cb 0.68 -0.73 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 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 -0.80 6.56 0.11 -1.12 0.15 -0.71 -5.04 113.70 112.85 3d4k s SER 219 Ca 0.47 2.84 0.02 0.00 0.70 0.00 0.00 55.95 59.98 3d4k s SER 219 Cb 0.38 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3d4k s SER 219 CO 0.11 -0.70 -0.08 -0.44 1.20 0.00 0.00 173.24 173.33 3d4k s SER 220 N -0.36 1.30 0.08 5.45 0.01 -1.26 -5.08 113.70 113.85 3d4k s SER 220 Ca 0.51 -0.98 -0.31 0.00 1.31 0.00 0.00 55.95 56.48 3d4k s SER 220 Cb -0.42 0.06 -0.09 0.00 0.21 0.00 0.00 66.02 65.78 3d4k s SER 220 CO 0.57 -0.41 1.80 -0.63 0.41 0.00 0.00 173.24 174.98 3d4k s ILE 221 N -3.41 2.80 0.19 1.44 1.01 -1.26 -4.91 121.20 117.05 3d4k s ILE 221 Ca 0.12 0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 3d4k s ILE 221 Cb 0.04 -3.12 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 3d4k s ILE 221 CO -0.03 -0.00 1.45 -2.84 0.00 0.00 0.00 174.94 173.51 3d4k s PRO 222 N 3.08 4.28 0.05 2.79 0.02 -1.26 -4.88 135.00 139.08 3d4k s PRO 222 Ca 0.80 2.24 -0.36 0.00 0.02 0.00 0.00 61.00 63.69 3d4k s PRO 222 Cb -0.43 -3.17 -0.16 0.00 0.02 0.00 0.00 34.50 30.77 3d4k s PRO 222 CO 0.36 -0.46 1.48 0.43 -0.33 0.00 0.00 177.00 178.48 3d4k n SER 223 N 3.24 2.24 -0.16 2.53 7.64 -1.26 -1.36 113.62 126.48 3d4k n SER 223 Ca 0.10 1.09 -0.02 0.00 1.01 0.00 0.00 58.87 61.05 3d4k n SER 223 Cb 0.40 -1.26 -0.01 0.00 -1.01 0.00 0.00 64.21 62.34 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 3.07 0.54 1.42 0.23 0.00 -1.26 -4.93 105.19 104.26 3d4k n GLY 224 Ca 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 0.31 4.91 -3.63 1.61 3.41 -0.46 -4.87 113.62 114.90 3d4k n SER 225 Ca -0.02 -2.35 -0.23 0.00 -0.26 0.00 0.00 58.87 56.01 3d4k n SER 225 Cb 0.14 -1.00 0.15 0.00 -0.26 0.00 0.00 64.21 63.25 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 1.25 0.00 -2.06 6.66 -2.24 -1.26 -0.24 114.28 116.39 3d4k n THR 226 Ca 0.01 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3d4k n THR 226 Cb 0.51 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 -1.86 3.33 0.18 3.38 0.00 -0.22 -2.82 105.19 107.19 3d4k n GLY 227 Ca 0.13 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.89 -2.50 114.38 111.70 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 -0.02 1.28 0.10 0.00 0.00 179.97 181.33 3d4k n LEU 229 N -2.37 0.04 -1.71 0.08 4.77 -1.13 -4.93 117.00 111.76 3d4k n LEU 229 Ca -0.01 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 3d4k n LEU 229 Cb 0.05 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3d4k n LEU 229 CO 0.12 0.01 -0.10 0.18 -1.33 0.00 0.00 177.39 176.27 3d4k n LEU 230 N -1.32 -0.74 -0.31 2.23 4.77 -0.94 -1.25 117.00 119.43 3d4k n LEU 230 Ca 0.12 0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 56.31 3d4k n LEU 230 Cb 0.27 -1.66 -0.02 0.00 -2.33 0.00 0.00 43.42 39.68 3d4k n LEU 230 CO 0.24 -0.34 -0.04 0.61 -1.33 0.00 0.00 177.39 176.53 3d4k n GLY 231 N -0.38 0.57 0.07 -0.72 0.00 0.67 -4.02 105.19 101.38 3d4k n GLY 231 Ca -0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.47 1.91 -4.35 0.99 4.77 -0.38 -4.36 117.00 115.11 3d4k n LEU 232 Ca -0.04 -0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.63 3d4k n LEU 232 Cb 0.34 -0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 3d4k n LEU 232 CO 0.06 0.60 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.84 3d4k s PHE 233 N -2.31 2.03 -0.21 -1.77 0.08 -1.16 -4.80 117.98 109.84 3d4k s PHE 233 Ca -0.16 -0.41 0.20 0.00 0.12 0.00 0.00 56.93 56.69 3d4k s PHE 233 Cb 0.05 -1.06 0.37 0.00 -0.57 0.00 0.00 43.02 41.81 3d4k s PHE 233 CO 0.41 0.33 1.59 -1.00 -0.10 0.00 0.00 175.22 176.46 3d4k h PRO 234 N 3.65 0.00 -4.00 0.24 0.13 -1.92 -3.42 132.00 126.68 3d4k h PRO 234 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 3d4k h PRO 234 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3d4k h PRO 234 CO 0.44 0.24 -0.14 0.16 -0.23 0.00 0.00 178.00 178.47 3d4k s ASP 235 N -6.28 0.81 -0.03 1.44 1.47 -1.26 -4.92 116.67 107.90 3d4k s ASP 235 Ca 0.04 -1.44 0.16 0.00 1.18 0.00 0.00 52.55 52.49 3d4k s ASP 235 Cb 0.07 0.68 0.53 0.00 -0.34 0.00 0.00 42.92 43.86 3d4k s ASP 235 CO 0.69 -1.34 1.43 0.00 0.68 0.00 0.00 175.17 176.63 3d4k n ALA 236 N -0.56 2.62 0.00 2.11 0.00 -1.26 -4.73 120.51 118.69 3d4k n ALA 236 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.35 3d4k n ALA 236 Cb 0.61 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3d4k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59