#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 4.76 -0.24 0.00 1.01 -1.26 -5.04 116.67 115.90 3d4k s ASP 2 Ca 0.00 1.68 -0.03 0.00 0.71 0.00 0.00 52.55 54.91 3d4k s ASP 2 Cb 0.00 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.49 3d4k s ASP 2 CO 0.00 -1.85 -0.04 -0.89 0.21 0.00 0.00 175.17 172.60 3d4k s THR 3 N -2.98 3.20 -0.03 -1.27 2.01 -1.26 -5.03 115.64 110.28 3d4k s THR 3 Ca 0.60 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.91 3d4k s THR 3 Cb -0.16 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 3d4k s THR 3 CO 0.56 0.29 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.94 3d4k s ILE 4 N 1.41 1.70 -0.07 1.82 -1.09 -1.26 -3.32 121.20 120.40 3d4k s ILE 4 Ca 0.03 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3d4k s ILE 4 Cb -0.15 -1.43 0.02 0.00 -1.58 0.00 0.00 42.46 39.31 3d4k s ILE 4 CO -0.03 0.48 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.38 3d4k s VAL 5 N -0.30 0.98 0.17 2.92 1.01 -0.84 -0.03 120.40 124.30 3d4k s VAL 5 Ca 0.03 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3d4k s VAL 5 Cb -0.10 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.36 3d4k s VAL 5 CO 0.01 0.33 0.45 0.00 0.00 0.00 0.00 175.10 175.89 3d4k s ALA 6 N 1.03 -0.81 -0.20 5.51 0.00 0.26 -0.88 121.76 126.66 3d4k s ALA 6 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3d4k s ALA 6 Cb -0.15 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.79 3d4k s ALA 6 CO -0.00 -0.73 -0.13 0.08 0.00 0.00 0.00 175.76 174.98 3d4k s VAL 7 N -3.86 2.58 -0.02 0.00 1.01 -0.15 -0.41 120.40 119.55 3d4k s VAL 7 Ca 0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3d4k s VAL 7 Cb 0.01 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3d4k s VAL 7 CO -0.06 0.44 0.04 -1.83 0.00 0.00 0.00 175.10 173.70 3d4k s GLU 8 N 1.35 2.97 -0.78 2.72 -1.05 0.05 -1.27 118.70 122.69 3d4k s GLU 8 Ca 0.04 -0.50 -0.00 0.00 -0.15 0.00 0.00 54.97 54.36 3d4k s GLU 8 Cb -0.14 -2.79 0.19 0.00 -0.44 0.00 0.00 34.13 30.95 3d4k s GLU 8 CO -0.09 0.65 0.62 -0.51 0.95 0.00 0.00 175.26 176.89 3d4k s LEU 9 N -1.50 5.27 -0.60 1.83 1.02 0.13 -1.30 118.68 123.53 3d4k s LEU 9 Ca 0.20 -3.55 -0.25 0.00 0.02 0.00 0.00 54.13 50.55 3d4k s LEU 9 Cb -0.12 -1.83 0.04 0.00 0.02 0.00 0.00 46.19 44.31 3d4k s LEU 9 CO 0.10 -0.20 1.06 -0.62 0.02 0.00 0.00 176.35 176.71 3d4k s ASP 10 N -0.28 6.32 0.28 2.29 -1.08 -0.23 -1.64 116.67 122.34 3d4k s ASP 10 Ca 0.24 -0.32 0.20 0.00 -0.52 0.00 0.00 52.55 52.15 3d4k s ASP 10 Cb -0.10 -2.48 0.11 0.00 -1.46 0.00 0.00 42.92 38.98 3d4k s ASP 10 CO -0.11 -1.41 1.31 0.71 0.52 0.00 0.00 175.17 176.19 3d4k h THR 11 N 6.05 0.31 -3.18 1.71 1.35 -1.76 -0.90 112.91 116.48 3d4k h THR 11 Ca -0.26 -1.48 -0.67 0.00 -0.55 0.00 0.00 66.41 63.45 3d4k h THR 11 Cb 1.07 2.00 -0.33 0.00 -1.73 0.00 0.00 68.15 69.16 3d4k h THR 11 CO 1.15 0.18 -0.82 -0.47 -0.25 0.00 0.00 175.52 175.32 3d4k s TYR 12 N -3.13 2.85 -0.16 4.73 6.14 -1.25 -4.51 117.35 122.01 3d4k s TYR 12 Ca 0.03 -1.44 -0.29 0.00 0.64 0.00 0.00 57.07 56.01 3d4k s TYR 12 Cb 0.07 -1.98 -0.02 0.00 0.42 0.00 0.00 41.96 40.45 3d4k s TYR 12 CO 0.74 -0.73 1.34 -1.25 0.64 0.00 0.00 175.55 176.30 3d4k s PRO 13 N 1.35 4.17 -0.89 4.97 0.04 -1.26 -4.95 135.00 138.42 3d4k s PRO 13 Ca 0.05 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 3d4k s PRO 13 Cb -0.14 -3.82 0.23 0.00 0.04 0.00 0.00 34.50 30.82 3d4k s PRO 13 CO -0.10 -0.80 0.86 0.09 0.04 0.00 0.00 177.00 177.10 3d4k n ASN 14 N 6.88 4.41 0.28 6.66 4.13 -1.26 -4.91 115.26 131.45 3d4k n ASN 14 Ca 0.15 -3.20 0.19 0.00 1.68 0.00 0.00 54.58 53.40 3d4k n ASN 14 Cb 0.45 -1.04 0.97 0.00 -1.54 0.00 0.00 39.78 38.63 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 3.86 0.00 0.00 3.41 1.35 -1.85 -1.86 112.91 117.82 3d4k h THR 15 Ca 0.17 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3d4k h THR 15 Cb 0.77 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 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 -2.86 0.00 -1.00 5.36 5.75 -1.26 -3.05 116.55 119.49 3d4k n ASP 16 Ca -0.02 0.48 0.04 0.00 -0.01 0.00 0.00 54.79 55.28 3d4k n ASP 16 Cb 0.10 -0.49 0.13 0.00 -1.03 0.00 0.00 41.12 39.84 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 -1.49 1.41 -0.14 2.12 -5.35 -0.73 -5.00 119.36 110.18 3d4k n ILE 17 Ca 0.05 -2.46 0.00 0.00 -0.27 0.00 0.00 62.75 60.07 3d4k n ILE 17 Cb 0.25 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 -0.52 0.93 3.77 3.28 0.00 -1.17 -4.71 105.19 106.77 3d4k n GLY 18 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.83 6.68 0.84 1.61 1.01 -0.99 -4.94 116.67 118.06 3d4k s ASP 19 Ca 0.00 2.26 -0.11 0.00 0.71 0.00 0.00 52.55 55.41 3d4k s ASP 19 Cb 0.00 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.42 3d4k s ASP 19 CO 0.00 -0.56 1.09 -2.16 0.21 0.00 0.00 175.17 173.75 3d4k s PRO 20 N -2.23 1.69 0.00 8.23 0.04 -1.26 -3.95 135.00 137.52 3d4k s PRO 20 Ca 0.55 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.46 3d4k s PRO 20 Cb -0.29 -1.85 -0.20 0.00 0.04 0.00 0.00 34.50 32.20 3d4k s PRO 20 CO 0.36 -1.96 3.09 -1.13 0.04 0.00 0.00 177.00 177.40 3d4k n SER 21 N -3.71 4.77 -3.61 6.66 3.41 -1.26 -4.64 113.62 115.26 3d4k n SER 21 Ca 0.08 -2.37 -0.04 0.00 -0.26 0.00 0.00 58.87 56.27 3d4k n SER 21 Cb 0.55 -1.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.22 3d4k n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3d4k s TYR 22 N 1.02 -0.12 0.44 7.33 -0.85 -1.26 -5.02 117.35 118.88 3d4k s TYR 22 Ca 0.51 0.11 -0.24 0.00 -0.52 0.00 0.00 57.07 56.93 3d4k s TYR 22 Cb 0.24 0.50 -0.10 0.00 0.38 0.00 0.00 41.96 42.99 3d4k s TYR 22 CO 0.00 -0.17 1.05 -2.30 -1.52 0.00 0.00 175.55 172.61 3d4k n PRO 23 N 0.09 1.41 -3.87 -3.49 -0.02 -1.26 -4.69 135.00 123.16 3d4k n PRO 23 Ca -0.00 0.51 -0.08 0.00 -2.02 0.00 0.00 63.50 61.91 3d4k n PRO 23 Cb 0.58 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.29 -0.08 0.01 6.00 -3.43 -0.34 -1.57 115.29 114.59 3d4k s HIS 24 Ca 0.64 -0.34 0.07 0.00 -0.80 0.00 0.00 55.06 54.63 3d4k s HIS 24 Cb -0.53 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.17 3d4k s HIS 24 CO 0.56 -1.16 -0.20 0.96 -2.00 0.00 0.00 174.74 172.90 3d4k s ILE 25 N -3.93 2.62 0.16 -5.38 -4.36 -0.46 -1.06 121.20 108.79 3d4k s ILE 25 Ca 0.13 -1.12 -0.10 0.00 -0.26 0.00 0.00 60.65 59.30 3d4k s ILE 25 Cb -0.04 -2.05 -0.00 0.00 1.25 0.00 0.00 42.46 41.62 3d4k s ILE 25 CO 0.06 0.43 0.32 -0.83 0.24 0.00 0.00 174.94 175.16 3d4k s GLY 26 N -1.14 0.34 -0.28 6.27 0.00 -0.42 -1.02 107.32 111.08 3d4k s GLY 26 Ca 0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 44.72 44.05 3d4k s GLY 26 CO 0.03 -0.73 0.05 -0.42 0.00 0.00 0.00 173.10 172.03 3d4k s ILE 27 N -3.94 3.81 -0.24 0.90 1.01 -0.18 -0.77 121.20 121.79 3d4k s ILE 27 Ca 0.15 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 3d4k s ILE 27 Cb 0.03 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3d4k s ILE 27 CO -0.01 0.13 0.10 -1.81 0.00 0.00 0.00 174.94 173.34 3d4k s ASP 28 N 1.48 5.45 -0.42 3.58 1.01 0.45 -0.39 116.67 127.82 3d4k s ASP 28 Ca 0.03 -0.10 0.02 0.00 0.71 0.00 0.00 52.55 53.21 3d4k s ASP 28 Cb -0.17 -1.98 0.11 0.00 1.01 0.00 0.00 42.92 41.90 3d4k s ASP 28 CO 0.01 0.01 0.17 -0.63 0.21 0.00 0.00 175.17 174.94 3d4k s ILE 29 N 1.38 2.68 -2.00 0.77 -1.09 -1.26 -0.58 121.20 121.11 3d4k s ILE 29 Ca 0.06 -2.57 0.00 0.00 -2.23 0.00 0.00 60.65 55.90 3d4k s ILE 29 Cb -0.15 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 3d4k s ILE 29 CO 0.05 -0.69 0.00 0.29 -1.23 0.00 0.00 174.94 173.36 3d4k n LYS 30 N 3.99 -1.42 -3.61 2.79 5.02 0.96 -4.94 118.16 120.95 3d4k n LYS 30 Ca 0.03 1.14 -0.12 0.00 -2.02 0.00 0.00 58.31 57.34 3d4k n LYS 30 Cb 0.39 -5.53 -0.06 0.00 -0.02 0.00 0.00 35.03 29.80 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 -2.64 -0.54 0.36 4.39 0.15 -1.26 -4.95 113.70 109.21 3d4k s SER 31 Ca 0.00 0.89 0.27 0.00 0.70 0.00 0.00 55.95 57.81 3d4k s SER 31 Cb 0.00 0.85 1.06 0.00 -1.71 0.00 0.00 66.02 66.23 3d4k s SER 31 CO 0.00 -0.29 1.80 1.62 1.20 0.00 0.00 173.24 177.58 3d4k h VAL 32 N 3.39 0.00 -1.91 4.45 3.04 -1.84 -3.38 116.25 120.00 3d4k h VAL 32 Ca -0.26 -0.39 -0.63 0.00 -1.01 0.00 0.00 66.70 64.41 3d4k h VAL 32 Cb 1.16 1.25 -0.13 0.00 -2.01 0.00 0.00 31.29 31.56 3d4k h VAL 32 CO 0.18 0.00 1.09 -0.13 -1.01 0.00 0.00 177.57 177.70 3d4k s ARG 33 N -3.41 3.49 0.15 4.17 0.52 -1.26 -4.96 118.95 117.64 3d4k s ARG 33 Ca 0.04 -1.22 -0.32 0.00 -0.52 0.00 0.00 55.73 53.71 3d4k s ARG 33 Cb 0.09 -4.93 -0.17 0.00 0.52 0.00 0.00 34.95 30.46 3d4k s ARG 33 CO 0.48 -1.99 0.78 0.43 0.02 0.00 0.00 175.30 175.01 3d4k n SER 34 N 7.95 -0.43 0.16 0.23 7.64 -1.26 -4.81 113.62 123.08 3d4k n SER 34 Ca 0.22 1.14 0.04 0.00 1.01 0.00 0.00 58.87 61.27 3d4k n SER 34 Cb 0.49 -0.99 0.15 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.90 0.00 -2.51 1.43 1.79 -1.06 -3.45 116.57 114.67 3d4k h LYS 35 Ca -0.37 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.00 3d4k h LYS 35 Cb 1.42 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.84 3d4k h LYS 35 CO 0.61 0.47 -0.12 0.21 -1.08 0.00 0.00 179.45 179.53 3d4k s LYS 36 N -3.21 0.59 0.20 3.15 2.47 -1.23 -5.00 119.74 116.70 3d4k s LYS 36 Ca 0.02 0.71 0.01 0.00 -1.56 0.00 0.00 55.97 55.16 3d4k s LYS 36 Cb 0.09 0.28 -0.05 0.00 -1.46 0.00 0.00 37.83 36.69 3d4k s LYS 36 CO 0.72 -0.07 0.05 0.95 0.16 0.00 0.00 175.35 177.15 3d4k s THR 37 N 0.30 0.58 -0.06 3.43 -4.23 -1.26 -1.01 115.64 113.39 3d4k s THR 37 Ca -0.00 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 3d4k s THR 37 Cb -0.04 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.50 3d4k s THR 37 CO 0.00 -0.27 0.28 0.00 -0.54 0.00 0.00 174.62 174.08 3d4k s ALA 38 N -3.73 -0.69 0.28 3.99 0.00 -0.19 -4.98 121.76 116.44 3d4k s ALA 38 Ca 0.30 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 3d4k s ALA 38 Cb 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 3d4k s ALA 38 CO 0.08 -0.18 1.43 0.21 0.00 0.00 0.00 175.76 177.30 3d4k s LYS 39 N -0.51 4.25 -0.11 0.00 2.20 -1.26 -1.36 119.74 122.95 3d4k s LYS 39 Ca -0.06 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 3d4k s LYS 39 Cb -0.04 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 3d4k s LYS 39 CO 0.02 -0.41 -0.10 -0.46 -0.36 0.00 0.00 175.35 174.04 3d4k s TRP 40 N -0.31 1.66 -1.23 4.03 -0.00 -0.61 -4.78 118.94 117.70 3d4k s TRP 40 Ca 0.57 -0.82 -0.14 0.00 -0.00 0.00 0.00 56.10 55.71 3d4k s TRP 40 Cb -0.42 -1.30 0.16 0.00 -0.00 0.00 0.00 33.47 31.90 3d4k s TRP 40 CO 0.47 -0.51 1.54 0.09 -0.00 0.00 0.00 176.95 178.54 3d4k n ASN 41 N 4.66 5.15 -4.74 5.86 3.02 -1.26 -4.39 115.26 123.57 3d4k n ASN 41 Ca -0.16 -2.98 -0.41 0.00 -0.03 0.00 0.00 54.58 51.00 3d4k n ASN 41 Cb 0.50 -1.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.07 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 1.80 4.21 -0.38 3.52 1.75 -1.26 -4.98 119.30 123.97 3d4k s MET 42 Ca 0.44 2.40 -0.03 0.00 -1.25 0.00 0.00 55.69 57.25 3d4k s MET 42 Cb -0.00 -3.08 0.09 0.00 2.84 0.00 0.00 34.83 34.67 3d4k s MET 42 CO 0.01 -0.51 0.15 -0.65 -0.65 0.00 0.00 175.02 173.38 3d4k s GLN 43 N -0.28 2.20 0.11 4.11 -0.21 -1.26 -5.07 119.66 119.26 3d4k s GLN 43 Ca 0.62 -1.61 -0.31 0.00 0.02 0.00 0.00 55.36 54.07 3d4k s GLN 43 Cb -0.44 -3.50 -0.10 0.00 1.00 0.00 0.00 33.01 29.96 3d4k s GLN 43 CO 0.44 -0.93 1.86 -1.71 -2.12 0.00 0.00 175.29 172.83 3d4k n ASN 44 N 4.65 4.07 0.00 5.90 2.85 -1.26 -2.44 115.26 129.02 3d4k n ASN 44 Ca -0.06 0.97 0.00 0.00 -0.11 0.00 0.00 54.58 55.38 3d4k n ASN 44 Cb 0.42 -1.54 0.00 0.00 1.24 0.00 0.00 39.78 39.90 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 4.29 0.76 3.68 8.20 0.00 0.16 -4.96 105.19 117.31 3d4k n GLY 45 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.74 2.71 -0.03 1.61 1.02 -1.02 -4.93 119.74 118.36 3d4k s LYS 46 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 3d4k s LYS 46 Cb 0.00 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3d4k s LYS 46 CO 0.00 0.60 1.20 0.08 -0.92 0.00 0.00 175.35 176.32 3d4k s VAL 47 N -1.13 4.21 0.43 3.17 1.01 -1.26 -4.33 120.40 122.51 3d4k s VAL 47 Ca 0.21 1.55 0.06 0.00 0.00 0.00 0.00 61.98 63.80 3d4k s VAL 47 Cb -0.12 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 3d4k s VAL 47 CO 0.12 0.02 0.04 -0.83 0.00 0.00 0.00 175.10 174.45 3d4k s GLY 48 N 1.42 2.58 -0.01 4.51 0.00 0.20 -4.57 107.32 111.44 3d4k s GLY 48 Ca 0.57 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 43.42 3d4k s GLY 48 CO 0.23 -2.09 -0.13 -1.59 0.00 0.00 0.00 173.10 169.53 3d4k s THR 49 N -2.73 0.99 -0.08 0.90 2.01 0.29 -1.08 115.64 115.95 3d4k s THR 49 Ca 0.30 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.80 3d4k s THR 49 Cb 0.07 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.76 3d4k s THR 49 CO 0.16 0.28 -0.18 0.00 -0.69 0.00 0.00 174.62 174.19 3d4k s ALA 50 N -0.28 1.70 -0.09 7.40 0.00 -0.30 -0.77 121.76 129.42 3d4k s ALA 50 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3d4k s ALA 50 Cb -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3d4k s ALA 50 CO -0.00 0.22 -0.20 -1.58 0.00 0.00 0.00 175.76 174.20 3d4k s HIS 51 N 0.42 2.21 -0.04 0.00 5.04 0.47 -1.81 115.29 121.58 3d4k s HIS 51 Ca -0.15 -0.91 0.06 0.00 -1.54 0.00 0.00 55.06 52.52 3d4k s HIS 51 Cb -0.16 -1.51 -0.01 0.00 0.04 0.00 0.00 32.58 30.93 3d4k s HIS 51 CO 0.06 -0.39 -0.22 0.42 -2.34 0.00 0.00 174.74 172.26 3d4k s ILE 52 N 0.50 1.78 0.02 0.89 1.09 0.59 -0.72 121.20 125.37 3d4k s ILE 52 Ca -0.16 -0.94 -0.03 0.00 -1.10 0.00 0.00 60.65 58.42 3d4k s ILE 52 Cb -0.17 -1.50 -0.01 0.00 -1.06 0.00 0.00 42.46 39.71 3d4k s ILE 52 CO 0.06 0.50 0.05 0.27 -0.10 0.00 0.00 174.94 175.72 3d4k s ILE 53 N -0.25 0.12 -0.27 2.92 -4.36 0.06 -0.71 121.20 118.71 3d4k s ILE 53 Ca 0.01 -1.01 -0.24 0.00 -0.26 0.00 0.00 60.65 59.15 3d4k s ILE 53 Cb -0.11 -0.61 0.07 0.00 1.25 0.00 0.00 42.46 43.05 3d4k s ILE 53 CO 0.02 -0.55 0.71 -0.47 0.24 0.00 0.00 174.94 174.88 3d4k s TYR 54 N -2.03 -0.79 -0.03 1.37 6.14 -0.71 -1.33 117.35 119.97 3d4k s TYR 54 Ca -0.10 1.91 -0.04 0.00 0.64 0.00 0.00 57.07 59.47 3d4k s TYR 54 Cb -0.05 0.28 0.01 0.00 0.42 0.00 0.00 41.96 42.61 3d4k s TYR 54 CO -0.02 -0.38 0.10 0.54 0.64 0.00 0.00 175.55 176.43 3d4k s ASN 55 N 0.42 -0.06 0.53 4.32 2.20 -1.26 -1.06 114.94 120.03 3d4k s ASN 55 Ca -0.00 0.09 0.35 0.00 -0.94 0.00 0.00 52.86 52.36 3d4k s ASN 55 Cb -0.05 0.21 1.63 0.00 -2.00 0.00 0.00 41.25 41.04 3d4k s ASN 55 CO 0.00 -0.11 2.04 0.77 -2.94 0.00 0.00 177.10 176.86 3d4k h SER 56 N 5.60 0.00 0.19 3.54 4.64 0.19 0.99 113.55 128.70 3d4k h SER 56 Ca -0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3d4k h SER 56 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3d4k h SER 56 CO 0.43 0.00 -0.09 0.58 -0.87 0.00 0.00 176.83 176.88 3d4k h VAL 57 N 0.00 0.90 0.00 0.95 2.07 -1.91 -3.26 116.25 115.00 3d4k h VAL 57 Ca 0.00 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 3d4k h VAL 57 Cb 0.30 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3d4k h VAL 57 CO 0.00 0.12 -1.18 0.44 0.02 0.00 0.00 177.57 176.97 3d4k h ASP 58 N -0.51 0.00 -5.83 0.57 3.32 -1.96 -3.48 116.42 108.53 3d4k h ASP 58 Ca -0.03 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.65 3d4k h ASP 58 Cb 0.39 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.06 3d4k h ASP 58 CO 0.04 0.29 -0.75 0.29 -1.72 0.00 0.00 179.24 177.39 3d4k n LYS 59 N -2.80 -6.65 -4.54 3.56 4.76 0.34 -4.91 118.16 107.92 3d4k n LYS 59 Ca -0.05 0.79 -0.24 0.00 -2.87 0.00 0.00 58.31 55.94 3d4k n LYS 59 Cb 0.69 -5.73 -0.16 0.00 -1.84 0.00 0.00 35.03 27.99 3d4k n LYS 59 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3d4k s ARG 60 N -5.83 1.58 -0.30 1.97 3.52 -1.25 -1.50 118.95 117.13 3d4k s ARG 60 Ca 0.22 -0.38 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 3d4k s ARG 60 Cb -0.10 -1.32 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 3d4k s ARG 60 CO 0.75 0.03 0.21 -1.17 -0.81 0.00 0.00 175.30 174.31 3d4k s LEU 61 N 0.65 4.16 0.13 -0.88 2.96 0.01 -4.04 118.68 121.66 3d4k s LEU 61 Ca -0.13 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 3d4k s LEU 61 Cb -0.15 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3d4k s LEU 61 CO 0.03 -0.11 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.33 3d4k s SER 62 N 1.75 2.44 -0.01 3.68 0.01 -0.44 -1.12 113.70 120.00 3d4k s SER 62 Ca 0.07 -0.76 -0.07 0.00 1.31 0.00 0.00 55.95 56.49 3d4k s SER 62 Cb -0.16 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 65.94 3d4k s SER 62 CO 0.11 -0.02 0.15 0.00 0.41 0.00 0.00 173.24 173.90 3d4k s ALA 63 N -1.64 -0.37 -0.04 1.44 0.00 -0.16 -0.76 121.76 120.24 3d4k s ALA 63 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.09 3d4k s ALA 63 Cb -0.08 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3d4k s ALA 63 CO 0.05 -0.18 -0.02 0.54 0.00 0.00 0.00 175.76 176.15 3d4k s VAL 64 N -1.05 0.33 -0.08 0.00 0.11 0.10 -1.48 120.40 118.33 3d4k s VAL 64 Ca -0.11 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 58.98 3d4k s VAL 64 Cb -0.06 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 3d4k s VAL 64 CO 0.01 0.18 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.07 3d4k s VAL 65 N 1.03 1.76 0.21 2.04 1.01 -0.24 -0.40 120.40 125.81 3d4k s VAL 65 Ca -0.10 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 3d4k s VAL 65 Cb -0.14 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3d4k s VAL 65 CO -0.01 0.49 0.48 -0.94 0.00 0.00 0.00 175.10 175.12 3d4k s SER 66 N 0.28 -0.15 0.03 3.32 1.04 0.05 -1.50 113.70 116.77 3d4k s SER 66 Ca -0.13 -0.69 0.08 0.00 0.48 0.00 0.00 55.95 55.69 3d4k s SER 66 Cb -0.16 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 3d4k s SER 66 CO 0.06 -1.06 -0.22 -0.31 0.98 0.00 0.00 173.24 172.68 3d4k s TYR 67 N -3.93 1.93 0.26 5.02 2.02 -1.26 -0.55 117.35 120.84 3d4k s TYR 67 Ca 0.14 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 3d4k s TYR 67 Cb -0.00 -1.17 -0.14 0.00 -0.40 0.00 0.00 41.96 40.24 3d4k s TYR 67 CO 0.02 0.08 1.01 -2.30 -1.57 0.00 0.00 175.55 172.79 3d4k n PRO 68 N 1.95 1.25 -3.72 -1.71 -0.02 -1.26 -2.67 135.00 128.81 3d4k n PRO 68 Ca -0.17 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.53 3d4k n PRO 68 Cb 0.53 -1.81 0.03 0.00 -0.02 0.00 0.00 33.50 32.22 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 1.43 -1.49 -3.51 2.55 4.13 -1.26 -5.00 115.26 112.12 3d4k n ASN 69 Ca 0.11 -0.86 -0.15 0.00 1.68 0.00 0.00 54.58 55.36 3d4k n ASN 69 Cb 0.30 -3.91 -0.05 0.00 -1.54 0.00 0.00 39.78 34.58 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 -3.69 -1.77 0.57 5.41 0.00 -1.09 -5.15 121.76 116.05 3d4k s ALA 70 Ca 0.05 1.20 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3d4k s ALA 70 Cb -0.01 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3d4k s ALA 70 CO 0.82 -0.45 1.24 -0.51 0.00 0.00 0.00 175.76 176.86 3d4k s ASP 71 N -1.52 5.27 0.38 0.00 1.01 -1.26 -4.60 116.67 115.94 3d4k s ASP 71 Ca -0.07 2.47 0.07 0.00 0.71 0.00 0.00 52.55 55.74 3d4k s ASP 71 Cb -0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 3d4k s ASP 71 CO 0.04 -1.54 0.50 -0.94 0.21 0.00 0.00 175.17 173.44 3d4k s SER 72 N -1.42 5.77 -0.06 0.27 1.04 -1.26 -4.69 113.70 113.35 3d4k s SER 72 Ca 0.75 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.90 3d4k s SER 72 Cb -0.33 -0.94 -0.02 0.00 0.10 0.00 0.00 66.02 64.83 3d4k s SER 72 CO 0.37 -0.58 -0.17 0.00 0.98 0.00 0.00 173.24 173.84 3d4k s ALA 73 N -2.27 2.55 0.01 5.32 0.00 -0.56 -4.97 121.76 121.84 3d4k s ALA 73 Ca 0.49 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.48 3d4k s ALA 73 Cb -0.09 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 3d4k s ALA 73 CO 0.32 0.50 -0.07 0.95 0.00 0.00 0.00 175.76 177.46 3d4k s THR 74 N -0.53 0.49 -0.01 0.00 -4.23 -1.26 -1.08 115.64 109.02 3d4k s THR 74 Ca 0.07 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3d4k s THR 74 Cb -0.11 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.25 3d4k s THR 74 CO 0.01 -0.07 0.03 0.54 -0.54 0.00 0.00 174.62 174.59 3d4k s VAL 75 N -0.62 0.02 0.03 2.29 0.11 -0.55 -4.78 120.40 116.91 3d4k s VAL 75 Ca -0.02 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 58.89 3d4k s VAL 75 Cb -0.05 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 3d4k s VAL 75 CO 0.00 -0.08 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.22 3d4k s SER 76 N -0.21 0.39 -0.21 3.54 0.01 -1.26 -0.98 113.70 114.97 3d4k s SER 76 Ca -0.02 -0.69 -0.13 0.00 1.31 0.00 0.00 55.95 56.41 3d4k s SER 76 Cb -0.02 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.41 3d4k s SER 76 CO -0.00 -0.40 0.52 -0.47 0.41 0.00 0.00 173.24 173.30 3d4k s TYR 77 N -2.37 -0.75 -0.13 2.43 5.04 -0.28 -4.92 117.35 116.37 3d4k s TYR 77 Ca -0.07 1.59 -0.29 0.00 -2.44 0.00 0.00 57.07 55.85 3d4k s TYR 77 Cb -0.03 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 3d4k s TYR 77 CO -0.04 -0.39 1.04 -0.51 -1.34 0.00 0.00 175.55 174.30 3d4k s ASP 78 N 1.29 7.19 -0.21 4.32 -0.00 -1.26 -0.81 116.67 127.18 3d4k s ASP 78 Ca -0.08 1.52 -0.18 0.00 -0.00 0.00 0.00 52.55 53.81 3d4k s ASP 78 Cb -0.07 -2.55 0.06 0.00 -0.00 0.00 0.00 42.92 40.36 3d4k s ASP 78 CO -0.13 -0.52 0.56 0.54 -0.00 0.00 0.00 175.17 175.62 3d4k s VAL 79 N 2.36 -0.00 -0.56 -1.27 0.11 -0.56 -4.96 120.40 115.51 3d4k s VAL 79 Ca 0.48 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.36 3d4k s VAL 79 Cb -0.18 -0.78 0.11 0.00 -1.53 0.00 0.00 36.38 33.99 3d4k s VAL 79 CO 0.15 0.00 0.60 -0.62 -3.33 0.00 0.00 175.10 171.91 3d4k s ASP 80 N 0.50 6.19 0.54 3.54 -1.08 -1.26 -4.37 116.67 120.73 3d4k s ASP 80 Ca -0.02 -1.50 0.21 0.00 -0.52 0.00 0.00 52.55 50.72 3d4k s ASP 80 Cb -0.04 -2.26 1.46 0.00 -1.46 0.00 0.00 42.92 40.62 3d4k s ASP 80 CO -0.02 -0.97 2.18 -0.07 0.52 0.00 0.00 175.17 176.81 3d4k h LEU 81 N 9.49 0.00 -0.74 -1.34 3.38 -1.97 -1.47 115.31 122.66 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 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3d4k h LEU 81 CO 1.05 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.68 3d4k n ASP 82 N -4.30 0.53 -0.69 -0.43 5.68 -1.26 -0.91 116.55 115.17 3d4k n ASP 82 Ca -0.03 0.66 0.08 0.00 -0.50 0.00 0.00 54.79 55.01 3d4k n ASP 82 Cb 0.10 -0.76 0.08 0.00 -1.14 0.00 0.00 41.12 39.40 3d4k n ASP 82 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3d4k n ASN 83 N -2.12 2.47 -0.02 -1.12 3.02 -0.56 -4.64 115.26 112.29 3d4k n ASN 83 Ca 0.01 -1.72 -0.04 0.00 -0.03 0.00 0.00 54.58 52.80 3d4k n ASN 83 Cb 0.17 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.95 0.24 -4.04 2.41 0.31 -0.53 -5.07 118.33 112.60 3d4k n VAL 84 Ca 0.10 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 64.14 3d4k n VAL 84 Cb 0.43 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 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 -5.91 4.07 0.82 7.52 1.43 -0.08 -4.95 118.68 121.57 3d4k s LEU 85 Ca -0.06 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 3d4k s LEU 85 Cb 0.02 -2.61 0.08 0.00 0.03 0.00 0.00 46.19 43.71 3d4k s LEU 85 CO 0.08 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.56 3d4k s PRO 86 N -3.78 1.93 0.28 1.29 0.04 -1.26 -4.72 135.00 128.78 3d4k s PRO 86 Ca 0.33 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 3d4k s PRO 86 Cb -0.09 -1.89 0.38 0.00 0.04 0.00 0.00 34.50 32.94 3d4k s PRO 86 CO 0.27 -1.76 1.93 1.05 0.04 0.00 0.00 177.00 178.53 3d4k h GLU 87 N -1.19 1.18 -5.88 4.56 4.11 -1.94 -3.41 114.58 112.01 3d4k h GLU 87 Ca -0.47 -0.07 -0.67 0.00 0.07 0.00 0.00 59.36 58.22 3d4k h GLU 87 Cb 1.27 -0.27 -0.17 0.00 0.50 0.00 0.00 28.75 30.07 3d4k h GLU 87 CO 0.57 0.78 -0.65 -1.58 0.07 0.00 0.00 179.01 178.20 3d4k s TRP 88 N -6.02 3.07 0.23 2.06 0.52 -1.26 -1.67 118.94 115.88 3d4k s TRP 88 Ca -0.12 0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.05 3d4k s TRP 88 Cb 0.19 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 3d4k s TRP 88 CO 0.81 0.32 0.30 1.33 0.02 0.00 0.00 176.95 179.73 3d4k n VAL 89 N 2.47 0.00 -4.23 4.03 0.24 -0.29 -4.32 118.33 116.23 3d4k n VAL 89 Ca -0.18 -1.31 -0.19 0.00 -2.04 0.00 0.00 64.34 60.62 3d4k n VAL 89 Cb 0.53 0.76 -0.12 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.63 0.85 0.11 7.34 0.52 -0.47 0.53 118.95 125.21 3d4k s ARG 90 Ca 0.21 -0.89 0.09 0.00 -0.52 0.00 0.00 55.73 54.62 3d4k s ARG 90 Cb -0.00 -0.86 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 3d4k s ARG 90 CO 0.15 0.20 -0.17 0.14 0.02 0.00 0.00 175.30 175.64 3d4k s VAL 91 N -1.14 2.93 0.12 3.52 -7.23 -1.26 -1.56 120.40 115.78 3d4k s VAL 91 Ca -0.01 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.59 3d4k s VAL 91 Cb -0.09 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.54 3d4k s VAL 91 CO 0.02 0.10 0.51 0.61 -0.31 0.00 0.00 175.10 176.03 3d4k n GLY 92 N 0.78 1.05 3.22 2.32 0.00 -0.38 -1.13 105.19 111.05 3d4k n GLY 92 Ca -0.15 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 3d4k n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4k s LEU 93 N 0.00 2.10 0.06 0.99 1.43 -0.19 -0.73 118.68 122.34 3d4k s LEU 93 Ca 0.11 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3d4k s LEU 93 Cb -0.02 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3d4k s LEU 93 CO 0.04 0.20 -0.05 -0.55 0.23 0.00 0.00 176.35 176.21 3d4k s SER 94 N -0.82 0.70 0.12 2.29 0.15 -0.12 -0.99 113.70 115.03 3d4k s SER 94 Ca 0.07 -0.82 -0.24 0.00 0.70 0.00 0.00 55.95 55.66 3d4k s SER 94 Cb -0.08 0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.42 3d4k s SER 94 CO 0.00 -0.43 0.61 0.00 1.20 0.00 0.00 173.24 174.63 3d4k s ALA 95 N -2.86 -1.61 0.26 5.45 0.00 -0.81 -0.14 121.76 122.04 3d4k s ALA 95 Ca 0.01 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 3d4k s ALA 95 Cb 0.00 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3d4k s ALA 95 CO -0.05 -0.69 0.59 -1.54 0.00 0.00 0.00 175.76 174.07 3d4k s SER 96 N -2.46 -0.19 0.16 0.00 1.04 -1.04 -2.18 113.70 109.05 3d4k s SER 96 Ca -0.01 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 3d4k s SER 96 Cb -0.01 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 3d4k s SER 96 CO -0.09 -1.22 0.18 0.42 0.98 0.00 0.00 173.24 173.51 3d4k s THR 97 N -3.96 0.06 0.00 2.02 -4.23 0.03 -0.52 115.64 109.05 3d4k s THR 97 Ca 0.16 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3d4k s THR 97 Cb -0.03 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3d4k s THR 97 CO 0.07 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3d4k n GLY 98 N -0.19 3.94 0.27 3.99 0.00 -1.26 -1.07 105.19 110.87 3d4k n GLY 98 Ca -0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -9.95 0.99 5.85 -1.97 -0.69 115.31 110.45 3d4k h LEU 99 Ca 0.00 -0.37 -0.54 0.00 0.84 0.00 0.00 57.88 57.81 3d4k h LEU 99 Cb 0.00 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3d4k h LEU 99 CO 0.00 1.13 -0.50 -0.31 -0.34 0.00 0.00 178.44 178.42 3d4k s TYR 100 N -4.54 3.33 0.23 1.25 2.02 -1.26 -4.88 117.35 113.49 3d4k s TYR 100 Ca -0.10 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 3d4k s TYR 100 Cb 0.12 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3d4k s TYR 100 CO 0.86 0.51 0.14 0.36 -1.57 0.00 0.00 175.55 175.85 3d4k n LYS 101 N -0.63 0.45 -3.62 -0.62 0.00 -1.25 -4.36 118.16 108.13 3d4k n LYS 101 Ca -0.08 -2.15 -0.03 0.00 -0.00 0.00 0.00 58.31 56.05 3d4k n LYS 101 Cb 0.55 1.51 -0.02 0.00 -0.00 0.00 0.00 35.03 37.06 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 -2.92 0.15 0.23 -1.58 -1.05 -1.05 -2.77 118.70 109.71 3d4k s GLU 102 Ca 0.20 -0.05 -0.24 0.00 -0.15 0.00 0.00 54.97 54.73 3d4k s GLU 102 Cb 0.01 0.07 -0.09 0.00 -0.44 0.00 0.00 34.13 33.68 3d4k s GLU 102 CO 0.14 -0.07 0.82 0.95 0.95 0.00 0.00 175.26 178.06 3d4k s THR 103 N -2.13 4.35 -0.56 1.83 -4.23 0.48 -4.74 115.64 110.64 3d4k s THR 103 Ca 0.10 1.66 0.06 0.00 -1.18 0.00 0.00 61.69 62.34 3d4k s THR 103 Cb -0.01 -4.05 0.31 0.00 1.34 0.00 0.00 72.50 70.09 3d4k s THR 103 CO -0.04 0.34 0.84 0.59 -0.54 0.00 0.00 174.62 175.82 3d4k n ASN 104 N 1.09 3.53 -4.71 3.99 5.03 -1.26 -3.64 115.26 119.30 3d4k n ASN 104 Ca -0.03 -3.47 -0.41 0.00 0.87 0.00 0.00 54.58 51.55 3d4k n ASN 104 Cb 0.49 -0.60 -0.04 0.00 -1.02 0.00 0.00 39.78 38.61 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 -3.45 4.97 -0.23 3.41 2.01 -1.11 -2.01 115.64 119.23 3d4k s THR 105 Ca 0.44 1.66 -0.06 0.00 0.31 0.00 0.00 61.69 64.04 3d4k s THR 105 Cb 0.25 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 3d4k s THR 105 CO -0.09 0.20 0.03 -0.63 -0.69 0.00 0.00 174.62 173.43 3d4k s ILE 106 N 1.03 4.02 -0.14 1.82 -1.09 0.90 -0.78 121.20 126.95 3d4k s ILE 106 Ca 0.42 -0.28 0.19 0.00 -2.23 0.00 0.00 60.65 58.76 3d4k s ILE 106 Cb -0.19 -2.85 -0.17 0.00 -1.58 0.00 0.00 42.46 37.67 3d4k s ILE 106 CO 0.20 0.38 0.69 0.18 -1.23 0.00 0.00 174.94 175.16 3d4k n LEU 107 N 4.69 0.54 -3.50 2.97 4.77 -0.41 -1.31 117.00 124.75 3d4k n LEU 107 Ca -0.17 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 3d4k n LEU 107 Cb 0.51 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3d4k n LEU 107 CO 0.31 0.09 0.52 -0.94 -1.33 0.00 0.00 177.39 176.03 3d4k s SER 108 N -5.36 -0.55 -0.23 -1.43 1.04 -1.23 -4.42 113.70 101.52 3d4k s SER 108 Ca -0.05 0.41 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 3d4k s SER 108 Cb 0.10 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.80 3d4k s SER 108 CO 0.83 -0.65 0.52 0.86 0.98 0.00 0.00 173.24 175.78 3d4k s TRP 109 N -2.02 -0.89 0.11 5.02 -0.00 -0.00 -1.80 118.94 119.36 3d4k s TRP 109 Ca -0.05 1.73 0.05 0.00 -0.00 0.00 0.00 56.10 57.83 3d4k s TRP 109 Cb -0.00 0.46 -0.04 0.00 -0.00 0.00 0.00 33.47 33.88 3d4k s TRP 109 CO 0.01 -0.48 -0.13 -1.54 -0.00 0.00 0.00 176.95 174.81 3d4k s SER 110 N 2.05 1.78 -0.16 5.86 1.04 0.66 -0.45 113.70 124.47 3d4k s SER 110 Ca -0.07 -0.80 -0.21 0.00 0.48 0.00 0.00 55.95 55.36 3d4k s SER 110 Cb -0.09 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.04 3d4k s SER 110 CO -0.15 -0.18 0.55 0.12 0.98 0.00 0.00 173.24 174.55 3d4k s PHE 111 N -2.19 -0.57 -0.03 5.02 2.19 -0.59 -1.33 117.98 120.48 3d4k s PHE 111 Ca 0.07 1.30 -0.01 0.00 0.33 0.00 0.00 56.93 58.62 3d4k s PHE 111 Cb -0.04 0.23 0.03 0.00 -1.31 0.00 0.00 43.02 41.92 3d4k s PHE 111 CO 0.02 -0.35 0.06 0.99 1.83 0.00 0.00 175.22 177.77 3d4k s THR 112 N -0.10 -0.05 -0.02 0.12 2.01 -0.36 -1.61 115.64 115.63 3d4k s THR 112 Ca -0.03 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.18 3d4k s THR 112 Cb -0.03 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 72.36 3d4k s THR 112 CO 0.02 0.07 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.38 3d4k s SER 113 N 0.97 1.19 -0.01 3.53 0.15 0.07 -1.18 113.70 118.41 3d4k s SER 113 Ca -0.08 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3d4k s SER 113 Cb -0.11 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 3d4k s SER 113 CO -0.03 0.10 -0.06 -0.54 1.20 0.00 0.00 173.24 173.91 3d4k s LYS 114 N -0.06 0.56 -0.12 5.44 1.02 -0.06 -1.37 119.74 125.15 3d4k s LYS 114 Ca 0.01 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 3d4k s LYS 114 Cb -0.06 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.73 3d4k s LYS 114 CO -0.00 0.10 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.97 3d4k s LEU 115 N 0.05 1.10 -0.24 3.17 1.43 -0.17 -1.61 118.68 122.41 3d4k s LEU 115 Ca -0.00 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3d4k s LEU 115 Cb -0.05 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 3d4k s LEU 115 CO -0.00 -0.16 0.08 -0.75 0.23 0.00 0.00 176.35 175.75 3d4k s LYS 116 N 1.78 3.75 0.50 1.70 2.20 -0.13 -0.71 119.74 128.82 3d4k s LYS 116 Ca 0.04 -0.44 -0.24 0.00 -0.36 0.00 0.00 55.97 54.98 3d4k s LYS 116 Cb -0.13 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 3d4k s LYS 116 CO -0.07 -0.10 1.40 0.45 -0.36 0.00 0.00 175.35 176.67 3d4k n SER 117 N 4.68 3.05 0.09 1.43 2.88 0.87 0.32 113.62 126.93 3d4k n SER 117 Ca -0.16 1.05 0.12 0.00 -1.33 0.00 0.00 58.87 58.55 3d4k n SER 117 Cb 0.52 -1.59 0.09 0.00 -0.75 0.00 0.00 64.21 62.47 3d4k n SER 117 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3d4k h ASN 118 N 1.89 0.00 0.04 -3.46 -1.24 0.97 -1.57 115.58 112.21 3d4k h ASN 118 Ca -0.51 -0.10 -0.34 0.00 0.71 0.00 0.00 56.30 56.06 3d4k h ASN 118 Cb 1.29 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.29 3d4k h ASN 118 CO 0.59 0.05 -1.88 -1.54 -1.29 0.00 0.00 177.43 173.36 3d4k n SER 119 N -2.44 1.97 -0.00 1.15 3.41 -1.26 -4.56 113.62 111.90 3d4k n SER 119 Ca 0.02 0.27 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 3d4k n SER 119 Cb 0.50 -0.84 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 3d4k n SER 119 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3d4k n THR 120 N -3.97 0.00 -1.10 6.66 -2.24 -1.26 -4.98 114.28 107.39 3d4k n THR 120 Ca -0.38 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.22 3d4k n THR 120 Cb 0.87 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 70.05 3d4k n THR 120 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3d4k n HIS 121 N -1.39 0.00 -2.89 4.78 8.25 -0.59 -4.98 115.22 118.41 3d4k n HIS 121 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 3d4k n HIS 121 Cb 0.24 -1.85 -0.01 0.00 1.12 0.00 0.00 29.99 29.49 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 -1.96 3.61 0.10 -0.41 2.02 -1.26 -4.61 118.70 116.20 3d4k s GLU 122 Ca 0.00 0.18 0.08 0.00 0.02 0.00 0.00 54.97 55.25 3d4k s GLU 122 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 3d4k s GLU 122 CO 0.00 -0.05 -0.17 0.99 0.02 0.00 0.00 175.26 176.05 3d4k s THR 123 N -2.49 2.91 -0.05 3.63 2.01 -1.26 -0.09 115.64 120.30 3d4k s THR 123 Ca 0.47 -1.40 0.03 0.00 0.31 0.00 0.00 61.69 61.09 3d4k s THR 123 Cb -0.10 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3d4k s THR 123 CO 0.38 0.15 -0.12 0.20 -0.69 0.00 0.00 174.62 174.54 3d4k s ASN 124 N -2.01 4.19 0.09 3.53 -0.87 0.11 -4.97 114.94 115.01 3d4k s ASN 124 Ca 0.18 -0.16 -0.09 0.00 -1.57 0.00 0.00 52.86 51.22 3d4k s ASN 124 Cb -0.11 -0.93 0.00 0.00 -0.02 0.00 0.00 41.25 40.20 3d4k s ASN 124 CO 0.10 0.35 0.21 0.00 -2.57 0.00 0.00 177.10 175.18 3d4k s ALA 125 N -0.77 -0.30 -0.06 0.60 0.00 -1.26 -1.00 121.76 118.96 3d4k s ALA 125 Ca 0.12 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 3d4k s ALA 125 Cb -0.11 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.52 3d4k s ALA 125 CO 0.01 -0.50 0.15 -1.17 0.00 0.00 0.00 175.76 174.25 3d4k s LEU 126 N -2.77 1.09 -0.11 0.00 2.96 -0.47 -5.00 118.68 114.38 3d4k s LEU 126 Ca 0.04 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 3d4k s LEU 126 Cb 0.04 0.45 0.03 0.00 0.50 0.00 0.00 46.19 47.22 3d4k s LEU 126 CO -0.10 -0.10 0.27 -2.28 -1.32 0.00 0.00 176.35 172.82 3d4k s HIS 127 N 0.60 -0.32 -0.00 5.38 5.65 -1.26 -0.75 115.29 124.59 3d4k s HIS 127 Ca -0.04 0.77 -0.04 0.00 0.25 0.00 0.00 55.06 56.00 3d4k s HIS 127 Cb -0.06 0.10 -0.00 0.00 -1.18 0.00 0.00 32.58 31.43 3d4k s HIS 127 CO -0.03 -0.18 0.07 -0.59 -0.65 0.00 0.00 174.74 173.36 3d4k s PHE 128 N 0.53 0.08 -0.04 3.88 -0.12 -0.64 -5.01 117.98 116.67 3d4k s PHE 128 Ca -0.03 -0.17 -0.01 0.00 -0.05 0.00 0.00 56.93 56.67 3d4k s PHE 128 Cb -0.05 -0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3d4k s PHE 128 CO -0.03 -0.19 0.06 1.41 -0.05 0.00 0.00 175.22 176.43 3d4k s MET 129 N -1.02 -0.04 -0.26 1.99 1.75 -1.26 -1.54 119.30 118.93 3d4k s MET 129 Ca -0.11 0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.65 3d4k s MET 129 Cb -0.07 -0.34 0.05 0.00 2.84 0.00 0.00 34.83 37.32 3d4k s MET 129 CO 0.00 -0.24 -0.10 -0.06 -0.65 0.00 0.00 175.02 173.98 3d4k s PHE 130 N 1.56 3.20 -0.89 4.11 0.08 0.40 -4.91 117.98 121.54 3d4k s PHE 130 Ca -0.03 -2.11 0.12 0.00 0.12 0.00 0.00 56.93 55.02 3d4k s PHE 130 Cb -0.12 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3d4k s PHE 130 CO -0.03 -0.85 0.62 0.09 -0.10 0.00 0.00 175.22 174.95 3d4k n ASN 131 N 4.50 1.05 -3.67 1.36 3.02 -1.26 -0.82 115.26 119.44 3d4k n ASN 131 Ca -0.15 -1.03 -0.10 0.00 -0.03 0.00 0.00 54.58 53.27 3d4k n ASN 131 Cb 0.43 0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 40.17 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 -1.71 0.60 -0.06 3.52 0.74 -1.26 -4.76 119.66 116.72 3d4k s GLN 132 Ca 0.08 0.93 -0.01 0.00 0.05 0.00 0.00 55.36 56.41 3d4k s GLN 132 Cb 0.09 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.32 3d4k s GLN 132 CO 0.35 -0.13 0.01 -0.06 -0.55 0.00 0.00 175.29 174.92 3d4k s PHE 133 N 1.07 3.17 0.25 1.67 0.08 -0.12 -5.03 117.98 119.06 3d4k s PHE 133 Ca -0.06 0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.22 3d4k s PHE 133 Cb -0.06 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3d4k s PHE 133 CO -0.10 0.48 0.34 -1.12 -0.10 0.00 0.00 175.22 174.72 3d4k s SER 134 N -1.13 6.17 0.46 1.36 0.01 -1.26 -4.15 113.70 115.16 3d4k s SER 134 Ca 0.16 0.00 0.16 0.00 1.31 0.00 0.00 55.95 57.58 3d4k s SER 134 Cb -0.11 -1.75 1.12 0.00 0.21 0.00 0.00 66.02 65.48 3d4k s SER 134 CO 0.05 -0.08 1.99 0.07 0.41 0.00 0.00 173.24 175.68 3d4k h LYS 135 N 1.21 0.30 -2.34 12.44 -0.00 -1.87 -3.12 116.57 123.18 3d4k h LYS 135 Ca -0.51 -0.02 -0.59 0.00 -0.00 0.00 0.00 60.65 59.53 3d4k h LYS 135 Cb 1.23 -0.07 -0.41 0.00 -0.00 0.00 0.00 32.23 32.99 3d4k h LYS 135 CO 0.61 0.20 -0.79 -3.47 -0.00 0.00 0.00 179.45 175.99 3d4k n ASP 136 N -4.46 1.97 -4.57 7.07 2.03 -1.26 -4.68 116.55 112.66 3d4k n ASP 136 Ca 0.09 -3.03 -0.40 0.00 0.52 0.00 0.00 54.79 51.98 3d4k n ASP 136 Cb 0.41 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.13 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 -1.53 3.61 0.66 -0.67 2.00 -1.18 -4.86 119.66 117.69 3d4k s GLN 137 Ca 0.34 -1.37 0.38 0.00 -2.00 0.00 0.00 55.36 52.72 3d4k s GLN 137 Cb 0.10 -5.40 2.10 0.00 0.80 0.00 0.00 33.01 30.62 3d4k s GLN 137 CO -0.10 -2.38 2.20 0.87 -0.50 0.00 0.00 175.29 175.38 3d4k h LYS 138 N 9.13 0.00 -0.56 1.67 1.57 -1.96 -1.72 116.57 124.70 3d4k h LYS 138 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3d4k h LYS 138 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3d4k h LYS 138 CO 1.42 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.90 3d4k n ASP 139 N -3.07 2.81 -4.16 0.86 5.68 -1.26 -4.83 116.55 112.58 3d4k n ASP 139 Ca -0.02 -2.21 -0.24 0.00 -0.50 0.00 0.00 54.79 51.81 3d4k n ASP 139 Cb 0.19 -0.41 -0.15 0.00 -1.14 0.00 0.00 41.12 39.61 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 -1.22 2.05 -0.36 -2.12 1.43 -0.65 -0.90 118.68 116.91 3d4k s LEU 140 Ca 0.29 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 3d4k s LEU 140 Cb 0.18 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.58 3d4k s LEU 140 CO 0.15 0.19 0.18 -0.63 0.23 0.00 0.00 176.35 176.47 3d4k s ILE 141 N -0.45 4.40 -0.05 -0.59 1.01 0.10 -4.86 121.20 120.77 3d4k s ILE 141 Ca 0.06 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 3d4k s ILE 141 Cb -0.07 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3d4k s ILE 141 CO -0.00 -0.20 0.37 -0.76 0.00 0.00 0.00 174.94 174.35 3d4k s LEU 142 N 1.52 4.41 0.11 2.97 1.43 -1.26 -0.88 118.68 126.97 3d4k s LEU 142 Ca 0.01 0.83 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 3d4k s LEU 142 Cb -0.19 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3d4k s LEU 142 CO 0.06 0.26 -0.15 -1.10 0.23 0.00 0.00 176.35 175.64 3d4k s GLN 143 N -0.61 0.99 6.79 1.70 -0.21 0.02 -4.99 119.66 123.35 3d4k s GLN 143 Ca 0.22 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.45 3d4k s GLN 143 Cb -0.15 -0.98 0.00 0.00 1.00 0.00 0.00 33.01 32.87 3d4k s GLN 143 CO 0.11 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 3d4k n GLY 144 N 0.85 2.90 0.18 3.09 0.00 -1.26 -1.79 105.19 109.16 3d4k n GLY 144 Ca -0.18 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 3.53 0.59 -4.76 1.61 8.00 0.18 -4.94 116.55 120.77 3d4k n ASP 145 Ca 0.00 -1.10 -0.41 0.00 0.71 0.00 0.00 54.79 53.99 3d4k n ASP 145 Cb 0.00 -0.01 -0.01 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 n ALA 146 N -0.59 2.57 -2.34 2.24 0.00 -1.10 -4.38 120.51 116.92 3d4k n ALA 146 Ca 0.21 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.93 3d4k n ALA 146 Cb 0.22 -2.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 3d4k n ALA 146 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3d4k s THR 147 N -0.26 0.19 0.07 0.00 -4.23 -0.49 -4.73 115.64 106.18 3d4k s THR 147 Ca 0.61 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 3d4k s THR 147 Cb -0.48 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 3d4k s THR 147 CO 0.52 -0.85 -0.11 0.42 -0.54 0.00 0.00 174.62 174.06 3d4k s THR 148 N -3.45 0.90 0.00 3.99 -4.23 -1.26 -1.03 115.64 110.57 3d4k s THR 148 Ca 0.02 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3d4k s THR 148 Cb 0.04 -1.04 0.00 0.00 1.34 0.00 0.00 72.50 72.84 3d4k s THR 148 CO -0.08 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3d4k n GLY 149 N 1.09 3.67 3.53 3.99 0.00 -1.08 -4.09 105.19 112.29 3d4k n GLY 149 Ca -0.20 -0.85 -0.48 0.00 0.00 0.00 0.00 46.02 44.49 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 0.29 -2.22 2.61 -1.04 -1.26 -1.33 114.28 111.33 3d4k n THR 150 Ca 0.00 -0.32 -0.15 0.00 -2.04 0.00 0.00 64.05 61.54 3d4k n THR 150 Cb 0.00 -2.01 -0.02 0.00 -1.82 0.00 0.00 70.33 66.48 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 10.19 -4.52 -1.04 8.00 8.00 -1.26 -0.89 116.55 135.04 3d4k n ASP 151 Ca 0.35 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.89 3d4k n ASP 151 Cb 0.32 -3.87 -0.05 0.00 -0.02 0.00 0.00 41.12 37.50 3d4k n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d4k n GLY 152 N -0.75 1.30 3.78 0.44 0.00 -0.44 -4.96 105.19 104.55 3d4k n GLY 152 Ca -0.18 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.83 4.78 -0.29 1.61 0.01 -0.07 -0.94 114.94 117.20 3d4k s ASN 153 Ca 0.00 -0.80 -0.06 0.00 -0.71 0.00 0.00 52.86 51.28 3d4k s ASN 153 Cb 0.00 -0.67 0.01 0.00 0.41 0.00 0.00 41.25 41.00 3d4k s ASN 153 CO 0.00 -0.44 0.06 -0.22 -1.51 0.00 0.00 177.10 175.00 3d4k s LEU 154 N -3.94 3.75 -0.50 0.60 2.96 -0.43 -2.65 118.68 118.47 3d4k s LEU 154 Ca 0.41 -0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 53.46 3d4k s LEU 154 Cb -0.02 -1.86 0.09 0.00 0.50 0.00 0.00 46.19 44.91 3d4k s LEU 154 CO 0.24 -0.18 0.45 -1.61 -1.32 0.00 0.00 176.35 173.94 3d4k s GLU 155 N 1.49 2.99 0.27 1.98 0.41 -0.19 -0.07 118.70 125.57 3d4k s GLU 155 Ca 0.03 -1.47 -0.02 0.00 -0.41 0.00 0.00 54.97 53.10 3d4k s GLU 155 Cb -0.17 -4.20 0.36 0.00 -1.78 0.00 0.00 34.13 28.34 3d4k s GLU 155 CO 0.02 -1.16 1.82 -0.07 -0.49 0.00 0.00 175.26 175.37 3d4k h LEU 156 N 8.87 0.83 -9.33 1.80 3.38 -1.67 -1.31 115.31 117.88 3d4k h LEU 156 Ca -0.29 -0.15 -0.60 0.00 0.09 0.00 0.00 57.88 56.94 3d4k h LEU 156 Cb 1.11 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.51 3d4k h LEU 156 CO 0.95 0.80 -0.72 0.42 0.09 0.00 0.00 178.44 179.97 3d4k s THR 157 N -5.26 2.71 0.20 0.22 -4.23 -1.26 -2.69 115.64 105.33 3d4k s THR 157 Ca -0.10 -2.26 -0.33 0.00 -1.18 0.00 0.00 61.69 57.83 3d4k s THR 157 Cb 0.15 -2.48 -0.13 0.00 1.34 0.00 0.00 72.50 71.39 3d4k s THR 157 CO 0.81 -0.37 1.59 -1.14 -0.54 0.00 0.00 174.62 174.97 3d4k n ARG 158 N -0.71 2.35 -3.94 3.99 0.63 -1.26 -4.76 116.66 112.96 3d4k n ARG 158 Ca -0.05 0.85 -0.10 0.00 -0.92 0.00 0.00 57.85 57.62 3d4k n ARG 158 Cb 0.60 -2.62 -0.11 0.00 0.45 0.00 0.00 32.46 30.78 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 0.74 0.08 0.92 5.15 1.01 -1.26 -1.76 120.40 125.28 3d4k s VAL 159 Ca 0.75 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 3d4k s VAL 159 Cb -0.61 -0.24 0.15 0.00 0.00 0.00 0.00 36.38 35.68 3d4k s VAL 159 CO 0.39 -0.37 1.19 -0.94 0.00 0.00 0.00 175.10 175.38 3d4k s SER 160 N -1.11 3.48 0.59 3.32 1.04 0.03 -4.88 113.70 116.16 3d4k s SER 160 Ca -0.12 0.71 0.29 0.00 0.48 0.00 0.00 55.95 57.31 3d4k s SER 160 Cb -0.07 -1.10 1.80 0.00 0.10 0.00 0.00 66.02 66.75 3d4k s SER 160 CO -0.00 -2.54 2.23 0.77 0.98 0.00 0.00 173.24 174.67 3d4k h SER 161 N -1.50 0.00 0.87 7.02 4.64 -2.02 -1.36 113.55 121.20 3d4k h SER 161 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 3d4k h SER 161 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 3d4k h SER 161 CO 0.55 0.00 -1.20 -0.55 -0.87 0.00 0.00 176.83 174.75 3d4k h ASN 162 N 0.00 0.00 0.00 4.97 7.08 -2.07 -3.48 115.58 122.09 3d4k h ASN 162 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 3d4k h ASN 162 Cb 0.08 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.32 3d4k h ASN 162 CO -0.00 0.47 0.00 0.61 -2.08 0.00 0.00 177.43 176.43 3d4k n GLY 163 N 1.34 1.64 3.68 9.14 0.00 -0.51 -5.11 105.19 115.36 3d4k n GLY 163 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 7.08 0.41 1.61 0.15 -1.26 -4.74 113.70 114.95 3d4k s SER 164 Ca 0.00 1.32 -0.24 0.00 0.70 0.00 0.00 55.95 57.73 3d4k s SER 164 Cb 0.00 -2.49 -0.08 0.00 -1.71 0.00 0.00 66.02 61.74 3d4k s SER 164 CO 0.00 -0.37 1.10 -2.16 1.20 0.00 0.00 173.24 173.02 3d4k s PRO 165 N 1.86 4.04 0.10 5.44 0.04 -1.26 -0.79 135.00 144.42 3d4k s PRO 165 Ca 0.42 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.17 3d4k s PRO 165 Cb -0.17 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 3d4k s PRO 165 CO 0.16 -0.28 -0.06 -0.65 0.04 0.00 0.00 177.00 176.21 3d4k s GLN 166 N -2.50 2.31 0.79 4.56 -1.52 -0.72 -4.84 119.66 117.74 3d4k s GLN 166 Ca 0.59 -0.95 -0.08 0.00 -1.95 0.00 0.00 55.36 52.97 3d4k s GLN 166 Cb -0.26 -2.40 0.13 0.00 -0.22 0.00 0.00 33.01 30.26 3d4k s GLN 166 CO 0.32 0.52 1.11 0.20 -0.25 0.00 0.00 175.29 177.19 3d4k s GLY 167 N -2.28 1.74 -1.46 3.09 0.00 -1.26 -4.37 107.32 102.77 3d4k s GLY 167 Ca 0.23 -1.24 -0.06 0.00 0.00 0.00 0.00 44.72 43.65 3d4k s GLY 167 CO 0.16 -0.67 0.62 1.44 0.00 0.00 0.00 173.10 174.65 3d4k n SER 168 N -3.18 -1.72 -4.27 1.64 7.64 -0.27 -4.85 113.62 108.61 3d4k n SER 168 Ca 0.12 -0.94 -0.25 0.00 1.01 0.00 0.00 58.87 58.82 3d4k n SER 168 Cb 0.60 -3.31 -0.13 0.00 -1.01 0.00 0.00 64.21 60.36 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 -4.00 2.53 -0.14 6.43 0.15 -1.20 -4.97 113.70 112.50 3d4k s SER 169 Ca 0.24 -0.61 -0.11 0.00 0.70 0.00 0.00 55.95 56.18 3d4k s SER 169 Cb -0.13 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 3d4k s SER 169 CO 0.87 0.11 0.36 0.54 1.20 0.00 0.00 173.24 176.32 3d4k s VAL 170 N -0.99 -0.01 0.05 4.45 0.11 -1.26 -0.79 120.40 121.95 3d4k s VAL 170 Ca 0.07 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.94 3d4k s VAL 170 Cb -0.09 -0.52 0.05 0.00 -1.53 0.00 0.00 36.38 34.29 3d4k s VAL 170 CO 0.03 0.02 0.53 -0.83 -3.33 0.00 0.00 175.10 171.52 3d4k s GLY 171 N 0.70 -0.44 0.08 6.54 0.00 -0.93 -0.65 107.32 112.63 3d4k s GLY 171 Ca -0.04 0.62 -0.06 0.00 0.00 0.00 0.00 44.72 45.24 3d4k s GLY 171 CO -0.05 0.32 0.12 0.50 0.00 0.00 0.00 173.10 173.99 3d4k s ARG 172 N -2.44 0.79 -0.04 2.90 0.52 -0.74 -1.93 118.95 118.01 3d4k s ARG 172 Ca -0.05 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.07 3d4k s ARG 172 Cb -0.01 0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.79 3d4k s ARG 172 CO -0.02 -0.23 0.03 0.00 0.02 0.00 0.00 175.30 175.11 3d4k s ALA 173 N -3.89 0.30 0.05 2.13 0.00 -0.16 -0.80 121.76 119.37 3d4k s ALA 173 Ca 0.07 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.27 3d4k s ALA 173 Cb 0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3d4k s ALA 173 CO -0.09 -0.35 -0.22 -0.51 0.00 0.00 0.00 175.76 174.59 3d4k s LEU 174 N 1.75 2.39 0.29 0.00 1.02 -0.06 -1.02 118.68 123.05 3d4k s LEU 174 Ca -0.00 -0.51 -0.29 0.00 0.02 0.00 0.00 54.13 53.34 3d4k s LEU 174 Cb -0.12 -1.40 -0.10 0.00 0.02 0.00 0.00 46.19 44.59 3d4k s LEU 174 CO -0.03 0.26 1.30 0.12 0.02 0.00 0.00 176.35 178.01 3d4k s PHE 175 N -0.87 3.14 0.21 0.29 5.36 -0.29 0.02 117.98 125.85 3d4k s PHE 175 Ca 0.13 1.37 -0.09 0.00 -0.96 0.00 0.00 56.93 57.38 3d4k s PHE 175 Cb -0.10 -3.64 0.25 0.00 -0.34 0.00 0.00 43.02 39.19 3d4k s PHE 175 CO 0.04 -1.81 1.82 -0.92 -1.46 0.00 0.00 175.22 172.89 3d4k h TYR 176 N 3.99 0.74 -3.50 10.12 3.20 -1.35 -3.43 116.97 126.74 3d4k h TYR 176 Ca -0.48 0.03 -0.53 0.00 3.14 0.00 0.00 58.73 60.89 3d4k h TYR 176 Cb 1.22 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 3d4k h TYR 176 CO 0.58 0.37 0.22 0.00 -1.64 0.00 0.00 178.16 177.68 3d4k s ALA 177 N -6.09 3.36 0.74 1.82 0.00 -1.26 -5.04 121.76 115.29 3d4k s ALA 177 Ca -0.13 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 3d4k s ALA 177 Cb 0.16 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.27 3d4k s ALA 177 CO 0.77 0.10 1.17 -2.14 0.00 0.00 0.00 175.76 175.66 3d4k s PRO 178 N -0.35 2.14 -0.06 0.00 0.02 -1.26 -4.79 135.00 130.70 3d4k s PRO 178 Ca 0.40 1.60 0.05 0.00 0.02 0.00 0.00 61.00 63.07 3d4k s PRO 178 Cb -0.22 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 3d4k s PRO 178 CO 0.26 -1.80 -0.23 0.08 -0.33 0.00 0.00 177.00 174.98 3d4k s VAL 179 N -2.23 1.89 -0.89 3.83 1.01 0.19 -4.94 120.40 119.26 3d4k s VAL 179 Ca 0.71 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 3d4k s VAL 179 Cb -0.25 -1.61 0.10 0.00 0.00 0.00 0.00 36.38 34.62 3d4k s VAL 179 CO 0.47 0.53 1.15 -2.28 0.00 0.00 0.00 175.10 174.97 3d4k s HIS 180 N -0.07 2.91 0.24 5.22 2.46 -1.26 -1.13 115.29 123.66 3d4k s HIS 180 Ca -0.05 -1.10 0.14 0.00 0.47 0.00 0.00 55.06 54.51 3d4k s HIS 180 Cb -0.13 -4.36 0.51 0.00 -0.13 0.00 0.00 32.58 28.46 3d4k s HIS 180 CO 0.04 -1.61 1.68 0.97 -2.47 0.00 0.00 174.74 173.34 3d4k h ILE 181 N 6.03 1.22 -2.29 0.89 6.09 -1.63 -3.46 117.51 124.37 3d4k h ILE 181 Ca 0.07 -1.82 -0.07 0.00 -1.37 0.00 0.00 64.86 61.66 3d4k h ILE 181 Cb 1.03 2.02 -0.20 0.00 0.47 0.00 0.00 36.82 40.15 3d4k h ILE 181 CO 1.18 0.50 0.05 -1.66 -3.07 0.00 0.00 178.15 175.15 3d4k s TRP 182 N -3.66 -0.55 -0.11 2.19 1.48 -1.22 -4.80 118.94 112.27 3d4k s TRP 182 Ca -0.01 1.00 -0.04 0.00 -1.06 0.00 0.00 56.10 55.99 3d4k s TRP 182 Cb 0.12 0.31 0.05 0.00 -1.16 0.00 0.00 33.47 32.79 3d4k s TRP 182 CO 0.73 -0.51 0.23 -2.00 -4.06 0.00 0.00 176.95 171.33 3d4k s GLU 183 N -0.99 0.13 0.41 3.25 2.12 -1.26 -4.70 118.70 117.66 3d4k s GLU 183 Ca -0.10 0.62 0.16 0.00 0.36 0.00 0.00 54.97 56.02 3d4k s GLU 183 Cb -0.02 -0.12 1.05 0.00 0.26 0.00 0.00 34.13 35.30 3d4k s GLU 183 CO 0.07 -0.25 1.86 0.77 -0.54 0.00 0.00 175.26 177.18 3d4k h SER 184 N 7.95 0.43 -0.33 -1.70 0.02 -2.01 -0.70 113.55 117.21 3d4k h SER 184 Ca -0.23 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.60 3d4k h SER 184 Cb 1.13 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 63.53 3d4k h SER 184 CO 0.22 0.18 0.21 -1.54 -1.14 0.00 0.00 176.83 174.76 3d4k n SER 185 N -4.52 3.22 -4.43 3.07 3.41 -1.26 -4.86 113.62 108.24 3d4k n SER 185 Ca 0.19 -2.52 -0.33 0.00 -0.26 0.00 0.00 58.87 55.94 3d4k n SER 185 Cb 0.65 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 3d4k n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d4k s ALA 186 N -1.13 2.68 0.02 7.33 0.00 -0.27 0.14 121.76 130.53 3d4k s ALA 186 Ca 0.19 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 3d4k s ALA 186 Cb 0.16 -1.12 -0.18 0.00 0.00 0.00 0.00 23.12 21.98 3d4k s ALA 186 CO 0.04 0.40 1.22 0.28 0.00 0.00 0.00 175.76 177.70 3d4k h VAL 187 N 4.86 1.40 -3.57 0.00 2.07 -0.30 -3.44 116.25 117.28 3d4k h VAL 187 Ca -0.36 -1.66 -0.19 0.00 0.82 0.00 0.00 66.70 65.31 3d4k h VAL 187 Cb 1.18 2.22 -0.26 0.00 -1.52 0.00 0.00 31.29 32.92 3d4k h VAL 187 CO 0.53 0.48 -0.61 -0.69 0.02 0.00 0.00 177.57 177.30 3d4k s VAL 188 N -3.77 0.02 -0.01 2.57 1.01 -1.24 -4.91 120.40 114.07 3d4k s VAL 188 Ca -0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3d4k s VAL 188 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.24 3d4k s VAL 188 CO 0.78 -0.11 0.12 0.00 0.00 0.00 0.00 175.10 175.88 3d4k s ALA 189 N -0.32 -0.27 0.02 5.51 0.00 -1.26 -0.96 121.76 124.48 3d4k s ALA 189 Ca -0.04 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.56 3d4k s ALA 189 Cb -0.03 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.23 3d4k s ALA 189 CO 0.00 -0.17 1.03 -1.54 0.00 0.00 0.00 175.76 175.08 3d4k s SER 190 N -1.07 -0.21 0.14 0.00 1.04 -0.63 0.95 113.70 113.92 3d4k s SER 190 Ca -0.12 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 3d4k s SER 190 Cb -0.06 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.44 3d4k s SER 190 CO 0.01 -0.60 0.44 0.72 0.98 0.00 0.00 173.24 174.79 3d4k s PHE 191 N -2.95 -0.20 -0.04 5.02 -0.12 -0.22 -0.89 117.98 118.58 3d4k s PHE 191 Ca 0.10 -0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 56.75 3d4k s PHE 191 Cb -0.00 0.30 0.02 0.00 -0.63 0.00 0.00 43.02 42.71 3d4k s PHE 191 CO -0.04 -0.76 0.28 -1.83 -0.05 0.00 0.00 175.22 172.83 3d4k s GLU 192 N -3.82 0.54 0.01 1.99 -1.05 -0.33 -1.74 118.70 114.30 3d4k s GLU 192 Ca 0.04 -0.03 -0.00 0.00 -0.15 0.00 0.00 54.97 54.83 3d4k s GLU 192 Cb 0.01 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 3d4k s GLU 192 CO -0.10 -0.13 -0.01 0.00 0.95 0.00 0.00 175.26 175.97 3d4k s ALA 193 N -0.87 0.06 -0.05 -0.84 0.00 0.11 -1.23 121.76 118.95 3d4k s ALA 193 Ca -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 3d4k s ALA 193 Cb -0.05 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.17 3d4k s ALA 193 CO 0.03 -0.10 0.12 0.99 0.00 0.00 0.00 175.76 176.80 3d4k s THR 194 N -0.86 -0.01 -0.06 0.00 2.01 -0.44 -0.30 115.64 115.98 3d4k s THR 194 Ca -0.09 0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.76 3d4k s THR 194 Cb -0.06 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.31 3d4k s THR 194 CO -0.01 0.01 0.40 0.72 -0.69 0.00 0.00 174.62 175.05 3d4k s PHE 195 N 0.21 -0.33 -0.06 4.92 -0.12 -0.75 -0.25 117.98 121.60 3d4k s PHE 195 Ca -0.01 0.63 0.01 0.00 -0.05 0.00 0.00 56.93 57.50 3d4k s PHE 195 Cb -0.02 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 3d4k s PHE 195 CO -0.01 -0.38 -0.05 0.95 -0.05 0.00 0.00 175.22 175.68 3d4k s THR 196 N -0.90 3.83 0.16 -4.49 -4.23 -0.74 -1.14 115.64 108.12 3d4k s THR 196 Ca -0.10 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3d4k s THR 196 Cb -0.04 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3d4k s THR 196 CO 0.04 0.56 0.00 0.72 -0.54 0.00 0.00 174.62 175.41 3d4k s PHE 197 N -0.86 1.11 -0.23 3.99 -0.12 -0.24 -1.28 117.98 120.34 3d4k s PHE 197 Ca 0.13 -1.04 -0.04 0.00 -0.05 0.00 0.00 56.93 55.93 3d4k s PHE 197 Cb -0.11 -0.63 0.08 0.00 -0.63 0.00 0.00 43.02 41.72 3d4k s PHE 197 CO 0.03 -0.26 0.09 -1.17 -0.05 0.00 0.00 175.22 173.86 3d4k s LEU 198 N -3.13 0.81 -0.29 -1.99 2.96 0.04 -0.63 118.68 116.44 3d4k s LEU 198 Ca 0.22 -0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 53.08 3d4k s LEU 198 Cb 0.06 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.33 3d4k s LEU 198 CO 0.02 -0.37 0.08 -0.63 -1.32 0.00 0.00 176.35 174.13 3d4k s ILE 199 N 2.00 3.96 -0.01 6.68 1.01 -1.26 -2.76 121.20 130.83 3d4k s ILE 199 Ca 0.04 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.06 3d4k s ILE 199 Cb -0.16 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 3d4k s ILE 199 CO -0.19 0.10 -0.12 -0.75 0.00 0.00 0.00 174.94 173.98 3d4k s LYS 200 N 1.50 0.99 -0.04 2.79 2.20 -1.24 -0.67 119.74 125.27 3d4k s LYS 200 Ca 0.03 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.17 3d4k s LYS 200 Cb -0.17 -0.95 0.01 0.00 -1.51 0.00 0.00 37.83 35.21 3d4k s LYS 200 CO 0.02 0.24 0.12 0.45 -0.36 0.00 0.00 175.35 175.83 3d4k s SER 201 N -0.23 -0.12 0.19 1.43 0.15 -1.26 -0.39 113.70 113.46 3d4k s SER 201 Ca 0.04 0.24 0.10 0.00 0.70 0.00 0.00 55.95 57.02 3d4k s SER 201 Cb -0.05 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 3d4k s SER 201 CO -0.00 -0.04 1.39 1.55 1.20 0.00 0.00 173.24 177.33 3d4k h PRO 202 N 5.95 0.00 -7.27 5.44 0.13 -1.97 -3.46 132.00 130.82 3d4k h PRO 202 Ca -0.25 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.41 3d4k h PRO 202 Cb 1.20 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.40 3d4k h PRO 202 CO 0.43 0.81 0.26 0.16 -0.23 0.00 0.00 178.00 179.43 3d4k s ASP 203 N -6.67 5.33 0.55 1.44 1.47 -1.26 -4.98 116.67 112.55 3d4k s ASP 203 Ca 0.01 0.77 0.33 0.00 1.18 0.00 0.00 52.55 54.84 3d4k s ASP 203 Cb 0.10 -1.61 1.31 0.00 -0.34 0.00 0.00 42.92 42.38 3d4k s ASP 203 CO 0.79 -1.29 1.97 0.77 0.68 0.00 0.00 175.17 178.09 3d4k h SER 204 N -0.43 0.00 -3.55 2.11 4.64 -1.99 -3.38 113.55 110.95 3d4k h SER 204 Ca -0.45 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.26 3d4k h SER 204 Cb 1.27 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.96 3d4k h SER 204 CO 0.62 0.00 -0.73 -1.00 -0.87 0.00 0.00 176.83 174.85 3d4k s HIS 205 N -3.65 2.25 0.61 4.77 3.76 -1.26 -5.12 115.29 116.66 3d4k s HIS 205 Ca 0.01 -2.42 -0.16 0.00 -0.15 0.00 0.00 55.06 52.35 3d4k s HIS 205 Cb 0.09 -2.07 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 3d4k s HIS 205 CO 0.55 -0.82 1.09 -1.25 -0.85 0.00 0.00 174.74 173.46 3d4k s PRO 206 N 0.62 3.09 0.10 8.40 0.04 -1.26 -4.44 135.00 141.56 3d4k s PRO 206 Ca 0.15 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.29 3d4k s PRO 206 Cb -0.22 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.39 3d4k s PRO 206 CO -0.06 -1.01 0.63 0.00 0.04 0.00 0.00 177.00 176.59 3d4k s ALA 207 N -2.29 -1.65 -0.03 8.56 0.00 -1.11 -3.99 121.76 121.25 3d4k s ALA 207 Ca 0.67 0.71 0.06 0.00 0.00 0.00 0.00 51.96 53.39 3d4k s ALA 207 Cb -0.19 0.66 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 3d4k s ALA 207 CO 0.37 -0.67 0.13 -0.25 0.00 0.00 0.00 175.76 175.34 3d4k n ASP 208 N -0.06 3.47 0.00 0.00 8.00 0.32 -2.54 116.55 125.74 3d4k n ASP 208 Ca -0.17 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3d4k n ASP 208 Cb 0.63 1.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.97 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 2.11 1.85 3.14 0.44 0.00 -1.21 -2.73 105.19 108.79 3d4k n GLY 209 Ca -0.01 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.50 0.98 -0.01 -0.61 1.01 -0.65 -2.49 121.20 117.93 3d4k s ILE 210 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.43 3d4k s ILE 210 Cb 0.00 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.54 3d4k s ILE 210 CO 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 174.94 174.92 3d4k s ALA 211 N -1.13 -0.39 -0.17 9.38 0.00 0.80 0.20 121.76 130.44 3d4k s ALA 211 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 3d4k s ALA 211 Cb -0.09 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3d4k s ALA 211 CO 0.02 -0.19 0.09 0.12 0.00 0.00 0.00 175.76 175.80 3d4k s PHE 212 N -1.08 3.35 0.10 0.00 5.36 -0.40 -0.95 117.98 124.36 3d4k s PHE 212 Ca -0.12 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 3d4k s PHE 212 Cb -0.06 -2.06 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3d4k s PHE 212 CO 0.02 0.31 -0.01 -0.59 -1.46 0.00 0.00 175.22 173.49 3d4k s PHE 213 N 0.04 0.78 -0.07 10.12 -0.12 0.09 -0.97 117.98 127.85 3d4k s PHE 213 Ca 0.07 -1.07 0.02 0.00 -0.05 0.00 0.00 56.93 55.90 3d4k s PHE 213 Cb -0.12 -0.48 0.02 0.00 -0.63 0.00 0.00 43.02 41.81 3d4k s PHE 213 CO 0.00 -0.34 -0.11 0.42 -0.05 0.00 0.00 175.22 175.14 3d4k s ILE 214 N -3.84 1.10 0.32 -4.49 1.01 -0.05 -1.25 121.20 113.99 3d4k s ILE 214 Ca 0.14 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3d4k s ILE 214 Cb 0.07 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 3d4k s ILE 214 CO -0.04 0.35 0.35 -0.94 0.00 0.00 0.00 174.94 174.66 3d4k s SER 215 N 0.84 1.22 0.63 3.58 1.04 -0.60 -1.99 113.70 118.41 3d4k s SER 215 Ca -0.11 -1.61 -0.18 0.00 0.48 0.00 0.00 55.95 54.53 3d4k s SER 215 Cb -0.15 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 3d4k s SER 215 CO 0.02 -1.14 1.24 0.54 0.98 0.00 0.00 173.24 174.87 3d4k s ASN 216 N -3.30 4.86 0.34 7.02 4.22 -1.21 -1.37 114.94 125.51 3d4k s ASN 216 Ca 0.36 2.46 0.08 0.00 -2.14 0.00 0.00 52.86 53.62 3d4k s ASN 216 Cb 0.02 -2.60 0.80 0.00 1.28 0.00 0.00 41.25 40.74 3d4k s ASN 216 CO 0.23 -1.82 1.84 0.16 -2.04 0.00 0.00 177.10 175.47 3d4k h ILE 217 N 0.61 0.80 -0.39 0.54 3.07 -1.85 -2.40 117.51 117.88 3d4k h ILE 217 Ca -0.50 -0.25 -0.07 0.00 1.55 0.00 0.00 64.86 65.59 3d4k h ILE 217 Cb 1.31 0.02 -0.04 0.00 -0.27 0.00 0.00 36.82 37.84 3d4k h ILE 217 CO 0.54 0.13 0.09 -0.90 -1.05 0.00 0.00 178.15 176.96 3d4k n ASP 218 N -4.61 3.70 -4.77 2.16 5.75 -1.26 -4.82 116.55 112.70 3d4k n ASP 218 Ca 0.19 -2.64 -0.40 0.00 -0.01 0.00 0.00 54.79 51.94 3d4k n ASP 218 Cb 0.51 -0.63 0.01 0.00 -1.03 0.00 0.00 41.12 39.98 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 -0.43 5.97 0.14 -1.12 0.15 -0.90 -5.03 113.70 112.48 3d4k s SER 219 Ca 0.32 2.94 0.00 0.00 0.70 0.00 0.00 55.95 59.91 3d4k s SER 219 Cb 0.25 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 3d4k s SER 219 CO 0.09 -1.11 0.02 -0.94 1.20 0.00 0.00 173.24 172.49 3d4k s SER 220 N -0.45 0.76 0.02 5.45 1.04 -1.26 -5.07 113.70 114.20 3d4k s SER 220 Ca 0.59 -1.16 -0.30 0.00 0.48 0.00 0.00 55.95 55.56 3d4k s SER 220 Cb -0.44 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 65.81 3d4k s SER 220 CO 0.57 -0.63 1.66 -0.63 0.98 0.00 0.00 173.24 175.19 3d4k s ILE 221 N -3.84 3.27 0.48 -1.02 1.01 -1.26 -4.94 121.20 114.89 3d4k s ILE 221 Ca 0.22 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.19 3d4k s ILE 221 Cb 0.07 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 39.11 3d4k s ILE 221 CO 0.01 -0.02 1.35 -2.84 0.00 0.00 0.00 174.94 173.44 3d4k s PRO 222 N 3.25 3.52 0.12 2.79 0.02 -1.26 -4.88 135.00 138.55 3d4k s PRO 222 Ca 0.74 2.24 -0.34 0.00 0.02 0.00 0.00 61.00 63.66 3d4k s PRO 222 Cb -0.37 -2.49 -0.13 0.00 0.02 0.00 0.00 34.50 31.53 3d4k s PRO 222 CO 0.32 -0.89 1.66 0.45 -0.33 0.00 0.00 177.00 178.21 3d4k n SER 223 N -0.51 3.29 -0.45 2.53 2.88 -1.26 -1.84 113.62 118.26 3d4k n SER 223 Ca 0.07 1.06 -0.06 0.00 -1.33 0.00 0.00 58.87 58.61 3d4k n SER 223 Cb 0.44 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.44 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 3.68 0.74 1.68 0.46 0.00 -1.26 -4.91 105.19 105.56 3d4k n GLY 224 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 4.57 -2.97 1.61 3.41 -0.77 -4.86 113.62 114.30 3d4k n SER 225 Ca -0.06 -2.24 -0.12 0.00 -0.26 0.00 0.00 58.87 56.20 3d4k n SER 225 Cb 0.35 -1.02 0.08 0.00 -0.26 0.00 0.00 64.21 63.35 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 1.78 0.00 -0.47 6.66 -2.24 -1.26 -0.43 114.28 118.32 3d4k n THR 226 Ca 0.08 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3d4k n THR 226 Cb 0.50 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 1.31 3.07 0.24 3.38 0.00 -0.23 -2.68 105.19 110.28 3d4k n GLY 227 Ca 0.07 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.01 1.61 0.11 -1.91 -2.10 114.38 112.08 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 -2.51 0.89 -2.03 0.08 4.77 -1.09 -4.93 117.00 112.18 3d4k n LEU 229 Ca -0.02 -0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 55.63 3d4k n LEU 229 Cb 0.19 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3d4k n LEU 229 CO 0.12 0.15 -0.05 0.18 -1.33 0.00 0.00 177.39 176.45 3d4k n LEU 230 N -0.34 -0.40 -0.86 2.23 4.77 -0.79 -1.08 117.00 120.52 3d4k n LEU 230 Ca 0.20 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.36 3d4k n LEU 230 Cb 0.27 -1.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.01 3d4k n LEU 230 CO 0.18 -0.11 -0.11 0.61 -1.33 0.00 0.00 177.39 176.63 3d4k n GLY 231 N -0.44 1.19 0.05 -0.72 0.00 0.43 -4.16 105.19 101.54 3d4k n GLY 231 Ca -0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.28 1.67 -4.43 0.99 4.77 -0.25 -4.37 117.00 114.10 3d4k n LEU 232 Ca -0.11 -0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.54 3d4k n LEU 232 Cb 0.46 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 3d4k n LEU 232 CO 0.17 0.46 -0.53 -0.36 -1.33 0.00 0.00 177.39 175.80 3d4k s PHE 233 N -2.20 2.42 0.12 -1.77 0.08 -1.18 -4.78 117.98 110.67 3d4k s PHE 233 Ca -0.09 -0.33 0.16 0.00 0.12 0.00 0.00 56.93 56.79 3d4k s PHE 233 Cb 0.03 -1.32 0.46 0.00 -0.57 0.00 0.00 43.02 41.61 3d4k s PHE 233 CO 0.27 0.32 1.63 -1.00 -0.10 0.00 0.00 175.22 176.35 3d4k h PRO 234 N 4.00 0.00 -3.85 0.24 0.13 -1.92 -3.43 132.00 127.17 3d4k h PRO 234 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 3d4k h PRO 234 Cb 1.16 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 3d4k h PRO 234 CO 0.43 0.48 -0.09 0.16 -0.23 0.00 0.00 178.00 178.75 3d4k s ASP 235 N -6.52 0.63 -0.44 1.44 1.47 -1.26 -4.90 116.67 107.10 3d4k s ASP 235 Ca 0.01 -1.36 0.03 0.00 1.18 0.00 0.00 52.55 52.40 3d4k s ASP 235 Cb 0.11 0.69 0.57 0.00 -0.34 0.00 0.00 42.92 43.95 3d4k s ASP 235 CO 0.72 -1.36 1.86 0.00 0.68 0.00 0.00 175.17 177.07 3d4k n ALA 236 N -0.54 5.43 1.60 2.11 0.00 -1.26 -4.70 120.51 123.16 3d4k n ALA 236 Ca -0.01 -2.69 0.13 0.00 0.00 0.00 0.00 53.44 50.86 3d4k n ALA 236 Cb 0.61 -1.45 0.76 0.00 0.00 0.00 0.00 19.45 19.37 3d4k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59