#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9k s ILE 2 N 0.00 4.77 0.03 -0.08 1.01 -1.25 -1.75 121.20 123.94 3b9k s ILE 2 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3b9k s ILE 2 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3b9k s ILE 2 CO 0.00 0.27 0.04 -1.58 0.00 0.00 0.00 174.94 173.67 3b9k s GLN 3 N 1.68 2.85 -0.00 2.79 0.74 -1.26 -1.28 119.66 125.18 3b9k s GLN 3 Ca 0.06 -0.63 -0.00 0.00 0.05 0.00 0.00 55.36 54.84 3b9k s GLN 3 Cb -0.16 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.24 3b9k s GLN 3 CO 0.07 0.60 0.01 0.99 -0.55 0.00 0.00 175.29 176.42 3b9k s THR 4 N -1.22 -0.01 0.42 -0.34 2.01 0.12 -4.18 115.64 112.44 3b9k s THR 4 Ca 0.24 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 3b9k s THR 4 Cb -0.12 -0.03 -0.07 0.00 0.01 0.00 0.00 72.50 72.29 3b9k s THR 4 CO 0.15 0.01 0.82 -2.16 -0.69 0.00 0.00 174.62 172.75 3b9k s PRO 5 N 0.10 3.88 0.15 4.92 0.04 -1.26 -0.76 135.00 142.07 3b9k s PRO 5 Ca -0.01 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.46 3b9k s PRO 5 Cb -0.01 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.22 3b9k s PRO 5 CO -0.00 -0.05 1.64 0.66 0.04 0.00 0.00 177.00 179.28 3b9k h SER 6 N 1.40 -0.67 -4.36 6.66 4.64 -1.73 -3.40 113.55 116.08 3b9k h SER 6 Ca -0.47 0.13 -0.63 0.00 -0.47 0.00 0.00 61.79 60.34 3b9k h SER 6 Cb 1.18 0.32 -0.27 0.00 -0.31 0.00 0.00 62.40 63.32 3b9k h SER 6 CO 0.63 -0.25 -0.86 -0.94 -0.87 0.00 0.00 176.83 174.54 3b9k s SER 7 N -5.05 2.70 -0.04 4.97 1.04 -1.26 -0.13 113.70 115.93 3b9k s SER 7 Ca -0.15 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 3b9k s SER 7 Cb 0.12 -0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.01 3b9k s SER 7 CO 0.68 0.23 0.02 -0.22 0.98 0.00 0.00 173.24 174.93 3b9k s LEU 8 N -0.94 0.75 -0.17 2.42 0.20 -0.83 -4.91 118.68 115.21 3b9k s LEU 8 Ca 0.09 -0.01 -0.04 0.00 0.69 0.00 0.00 54.13 54.86 3b9k s LEU 8 Cb -0.09 -0.25 -0.03 0.00 -0.43 0.00 0.00 46.19 45.40 3b9k s LEU 8 CO 0.01 -0.16 -0.03 -0.22 -0.29 0.00 0.00 176.35 175.66 3b9k s LEU 9 N 1.55 3.27 0.04 -0.68 2.96 -1.26 -1.62 118.68 122.94 3b9k s LEU 9 Ca -0.02 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3b9k s LEU 9 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3b9k s LEU 9 CO -0.03 0.15 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.40 3b9k s VAL 10 N 0.50 0.40 0.09 1.68 1.01 -0.80 -5.01 120.40 118.27 3b9k s VAL 10 Ca -0.03 -1.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.66 3b9k s VAL 10 Cb -0.14 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 3b9k s VAL 10 CO 0.03 -0.50 0.50 -1.58 0.00 0.00 0.00 175.10 173.55 3b9k s GLN 11 N -1.88 3.97 0.42 2.72 0.74 -1.26 -1.34 119.66 123.04 3b9k s GLN 11 Ca -0.09 0.47 -0.26 0.00 0.05 0.00 0.00 55.36 55.53 3b9k s GLN 11 Cb -0.08 -3.06 -0.08 0.00 1.10 0.00 0.00 33.01 30.89 3b9k s GLN 11 CO -0.01 0.57 1.32 0.95 -0.55 0.00 0.00 175.29 177.56 3b9k s THR 12 N -1.31 2.53 0.00 -0.34 -4.23 -0.36 -2.05 115.64 109.88 3b9k s THR 12 Ca 0.33 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3b9k s THR 12 Cb -0.16 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.41 3b9k s THR 12 CO 0.18 0.06 0.00 -3.20 -0.54 0.00 0.00 174.62 171.12 3b9k n ASN 13 N 0.02 0.00 -4.91 3.99 5.15 -0.23 -4.94 115.26 114.34 3b9k n ASN 13 Ca 0.04 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.81 3b9k n ASN 13 Cb 0.43 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.66 3b9k n ASN 13 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3b9k s HIS 14 N -3.87 3.22 0.44 1.20 3.76 -0.87 -4.68 115.29 114.49 3b9k s HIS 14 Ca 0.00 -0.11 -0.14 0.00 -0.15 0.00 0.00 55.06 54.66 3b9k s HIS 14 Cb 0.00 -1.61 -0.07 0.00 1.11 0.00 0.00 32.58 32.01 3b9k s HIS 14 CO 0.00 0.36 0.86 0.99 -0.85 0.00 0.00 174.74 176.11 3b9k s THR 15 N -2.10 4.66 -0.23 1.30 2.01 -1.23 -2.80 115.64 117.26 3b9k s THR 15 Ca 0.36 0.92 0.01 0.00 0.31 0.00 0.00 61.69 63.30 3b9k s THR 15 Cb -0.08 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.77 3b9k s THR 15 CO 0.28 -0.56 -0.09 0.00 -0.69 0.00 0.00 174.62 173.56 3b9k s ALA 16 N -2.44 2.12 -0.16 7.40 0.00 -0.63 -4.93 121.76 123.12 3b9k s ALA 16 Ca 0.55 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 3b9k s ALA 16 Cb -0.10 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 3b9k s ALA 16 CO 0.29 -1.03 0.40 0.15 0.00 0.00 0.00 175.76 175.57 3b9k s LYS 17 N 1.33 4.26 0.29 0.00 1.02 -1.26 -1.93 119.74 123.45 3b9k s LYS 17 Ca -0.05 0.27 0.06 0.00 0.02 0.00 0.00 55.97 56.27 3b9k s LYS 17 Cb -0.18 -3.47 -0.06 0.00 -0.52 0.00 0.00 37.83 33.60 3b9k s LYS 17 CO -0.07 0.11 -0.03 0.00 -0.92 0.00 0.00 175.35 174.44 3b9k s MET 18 N 0.82 1.57 0.10 1.68 0.23 0.02 -4.64 119.30 119.10 3b9k s MET 18 Ca 0.21 -1.81 -0.23 0.00 -1.03 0.00 0.00 55.69 52.82 3b9k s MET 18 Cb -0.14 -1.10 0.06 0.00 -1.53 0.00 0.00 34.83 32.12 3b9k s MET 18 CO 0.08 -0.01 0.58 -1.54 -2.03 0.00 0.00 175.02 172.09 3b9k s SER 19 N -3.45 -0.52 0.26 -1.18 1.04 0.06 -0.32 113.70 109.58 3b9k s SER 19 Ca 0.31 0.11 0.10 0.00 0.48 0.00 0.00 55.95 56.95 3b9k s SER 19 Cb 0.05 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 3b9k s SER 19 CO 0.13 -0.86 -0.08 0.00 0.98 0.00 0.00 173.24 173.41 3b9k s GLU 21 N -3.49 2.90 -0.25 0.00 2.12 -0.40 -3.09 118.70 116.48 3b9k s GLU 21 Ca 0.30 -0.87 -0.18 0.00 0.36 0.00 0.00 54.97 54.58 3b9k s GLU 21 Cb -0.06 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 3b9k s GLU 21 CO 0.18 -0.24 0.52 0.08 -0.54 0.00 0.00 175.26 175.25 3b9k s VAL 22 N 1.28 5.07 -0.39 3.70 1.01 -0.30 -3.83 120.40 126.94 3b9k s VAL 22 Ca 0.04 0.90 0.23 0.00 0.00 0.00 0.00 61.98 63.15 3b9k s VAL 22 Cb -0.14 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3b9k s VAL 22 CO -0.12 0.10 1.04 0.29 0.00 0.00 0.00 175.10 176.41 3b9k n LYS 23 N 5.42 0.47 -2.06 2.72 4.76 -1.26 -4.95 118.16 123.26 3b9k n LYS 23 Ca -0.04 0.05 -0.40 0.00 -2.87 0.00 0.00 58.31 55.06 3b9k n LYS 23 Cb 0.50 -1.71 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 3b9k n LYS 23 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3b9k s SER 24 N -4.70 6.41 0.10 4.39 0.15 -1.26 -4.93 113.70 113.86 3b9k s SER 24 Ca 0.01 2.68 -0.09 0.00 0.70 0.00 0.00 55.95 59.25 3b9k s SER 24 Cb 0.12 -2.64 -0.17 0.00 -1.71 0.00 0.00 66.02 61.62 3b9k s SER 24 CO 0.79 -0.78 1.24 0.40 1.20 0.00 0.00 173.24 176.08 3b9k h ILE 25 N 2.61 1.35 -3.18 6.45 2.04 -2.06 -3.43 117.51 121.29 3b9k h ILE 25 Ca -0.49 -2.42 -0.53 0.00 1.00 0.00 0.00 64.86 62.42 3b9k h ILE 25 Cb 1.24 2.47 0.02 0.00 -0.74 0.00 0.00 36.82 39.81 3b9k h ILE 25 CO 0.63 0.73 0.65 -0.44 0.00 0.00 0.00 178.15 179.72 3b9k s SER 26 N -7.19 6.93 0.27 1.72 0.01 -1.26 -4.97 113.70 109.21 3b9k s SER 26 Ca -0.07 2.25 -0.30 0.00 1.31 0.00 0.00 55.95 59.14 3b9k s SER 26 Cb 0.08 -2.59 -0.13 0.00 0.21 0.00 0.00 66.02 63.58 3b9k s SER 26 CO 0.89 -0.55 1.27 1.17 0.41 0.00 0.00 173.24 176.43 3b9k n LYS 27 N 3.51 1.84 -2.21 12.44 4.81 -1.26 -4.92 118.16 132.37 3b9k n LYS 27 Ca 0.09 0.65 -0.40 0.00 -0.87 0.00 0.00 58.31 57.78 3b9k n LYS 27 Cb 0.44 -2.21 -0.02 0.00 0.02 0.00 0.00 35.03 33.25 3b9k n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3b9k s LEU 28 N -0.12 4.35 0.11 3.14 1.43 -1.26 -4.94 118.68 121.39 3b9k s LEU 28 Ca 0.63 2.52 0.14 0.00 -1.03 0.00 0.00 54.13 56.39 3b9k s LEU 28 Cb -0.65 -3.79 -0.12 0.00 0.03 0.00 0.00 46.19 41.66 3b9k s LEU 28 CO 0.56 -0.56 1.04 0.71 0.23 0.00 0.00 176.35 178.33 3b9k h THR 29 N 2.76 0.89 -3.32 5.49 1.35 -1.93 -3.48 112.91 114.68 3b9k h THR 29 Ca -0.49 -2.47 -0.08 0.00 -0.55 0.00 0.00 66.41 62.82 3b9k h THR 29 Cb 1.23 2.36 -0.16 0.00 -1.73 0.00 0.00 68.15 69.86 3b9k h THR 29 CO 0.64 0.51 -0.20 -0.94 -0.25 0.00 0.00 175.52 175.29 3b9k s SER 30 N -6.19 -0.15 -0.00 5.36 1.04 -1.26 -0.74 113.70 111.75 3b9k s SER 30 Ca -0.01 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 3b9k s SER 30 Cb 0.09 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3b9k s SER 30 CO 0.80 -0.68 0.01 -0.51 0.98 0.00 0.00 173.24 173.83 3b9k s ILE 31 N -2.91 0.01 0.10 -1.02 1.10 -0.37 -4.56 121.20 113.55 3b9k s ILE 31 Ca -0.02 -0.08 0.10 0.00 -0.51 0.00 0.00 60.65 60.13 3b9k s ILE 31 Cb 0.00 -0.05 -0.03 0.00 0.15 0.00 0.00 42.46 42.53 3b9k s ILE 31 CO -0.06 -0.04 -0.25 -0.31 -2.11 0.00 0.00 174.94 172.16 3b9k s TYR 32 N -0.13 2.20 -0.17 3.50 1.51 0.52 -1.83 117.35 122.94 3b9k s TYR 32 Ca -0.01 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3b9k s TYR 32 Cb -0.01 -1.24 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 3b9k s TYR 32 CO -0.00 0.24 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.96 3b9k s TRP 33 N -0.98 2.38 0.24 2.71 0.52 0.06 0.30 118.94 124.16 3b9k s TRP 33 Ca 0.12 -1.44 0.11 0.00 0.02 0.00 0.00 56.10 54.91 3b9k s TRP 33 Cb -0.10 -1.67 -0.05 0.00 -1.15 0.00 0.00 33.47 30.50 3b9k s TRP 33 CO 0.04 -0.72 -0.20 -0.48 0.02 0.00 0.00 176.95 175.61 3b9k s LEU 34 N 1.41 2.53 -0.12 2.99 0.05 0.22 -1.16 118.68 124.60 3b9k s LEU 34 Ca 0.03 -0.97 -0.01 0.00 0.05 0.00 0.00 54.13 53.23 3b9k s LEU 34 Cb -0.14 -1.04 -0.02 0.00 -2.05 0.00 0.00 46.19 42.94 3b9k s LEU 34 CO -0.10 0.03 -0.08 -0.60 -0.55 0.00 0.00 176.35 175.05 3b9k s ARG 35 N -3.23 3.31 -0.43 1.48 3.52 0.61 -0.63 118.95 123.58 3b9k s ARG 35 Ca 0.25 -0.59 -0.19 0.00 -0.13 0.00 0.00 55.73 55.07 3b9k s ARG 35 Cb -0.05 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 3b9k s ARG 35 CO 0.12 0.35 0.57 -2.00 -0.81 0.00 0.00 175.30 173.53 3b9k s GLU 36 N 0.03 3.24 -0.25 5.12 2.12 -0.10 -0.11 118.70 128.75 3b9k s GLU 36 Ca -0.02 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 3b9k s GLU 36 Cb -0.14 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.31 3b9k s GLU 36 CO 0.03 -0.94 1.04 1.03 -0.54 0.00 0.00 175.26 175.88 3b9k s ARG 37 N 2.58 4.22 0.07 4.30 1.81 0.23 -3.88 118.95 128.29 3b9k s ARG 37 Ca 0.19 1.30 0.23 0.00 -1.72 0.00 0.00 55.73 55.73 3b9k s ARG 37 Cb -0.15 -3.66 0.03 0.00 -0.45 0.00 0.00 34.95 30.72 3b9k s ARG 37 CO 0.17 -0.67 1.01 0.94 -0.68 0.00 0.00 175.30 176.06 3b9k n GLN 38 N 6.40 0.36 0.00 3.54 -0.06 -1.26 -2.71 117.38 123.65 3b9k n GLN 38 Ca 0.12 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 55.02 3b9k n GLN 38 Cb 0.46 -1.62 -0.05 0.00 -4.06 0.00 0.00 30.24 24.97 3b9k n GLN 38 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 3b9k h ASP 39 N 0.00 -0.10 -1.44 1.69 3.32 -1.90 -3.42 116.42 114.57 3b9k h ASP 39 Ca 0.00 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3b9k h ASP 39 Cb 0.79 0.06 0.03 0.00 0.22 0.00 0.00 39.33 40.43 3b9k h ASP 39 CO 0.00 -0.04 -0.01 -2.65 -1.72 0.00 0.00 179.24 174.82 3b9k n PRO 40 N -5.15 -2.13 -0.15 3.56 -0.02 -1.26 -4.90 135.00 124.95 3b9k n PRO 40 Ca -0.05 -0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.10 3b9k n PRO 40 Cb 0.08 -0.28 -0.00 0.00 -0.02 0.00 0.00 33.50 33.28 3b9k n PRO 40 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3b9k h LYS 41 N 0.00 0.71 0.00 -0.52 1.57 -1.98 -3.45 116.57 112.90 3b9k h LYS 41 Ca -0.06 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3b9k h LYS 41 Cb 0.20 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3b9k h LYS 41 CO 0.04 0.71 0.00 -3.47 -0.57 0.00 0.00 179.45 176.16 3b9k n ASP 42 N -4.51 0.00 -4.62 0.86 2.03 -1.26 -5.11 116.55 103.93 3b9k n ASP 42 Ca 0.00 -0.70 -0.23 0.00 0.52 0.00 0.00 54.79 54.38 3b9k n ASP 42 Cb 0.22 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.54 3b9k n ASP 42 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3b9k s LYS 43 N -1.61 2.16 -0.04 -0.67 1.02 -1.26 -4.53 119.74 114.81 3b9k s LYS 43 Ca 0.00 -1.55 -0.24 0.00 0.02 0.00 0.00 55.97 54.20 3b9k s LYS 43 Cb 0.00 -2.05 0.05 0.00 -0.52 0.00 0.00 37.83 35.31 3b9k s LYS 43 CO 0.00 0.30 0.52 1.52 -0.92 0.00 0.00 175.35 176.77 3b9k s TYR 44 N -2.40 -0.46 -0.02 3.18 -0.85 -1.10 -4.99 117.35 110.71 3b9k s TYR 44 Ca 0.32 0.78 -0.19 0.00 -0.52 0.00 0.00 57.07 57.46 3b9k s TYR 44 Cb -0.05 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 3b9k s TYR 44 CO 0.19 -0.51 0.55 -0.06 -1.52 0.00 0.00 175.55 174.19 3b9k s PHE 45 N -1.22 3.66 -0.05 -3.49 0.40 -1.26 -0.60 117.98 115.42 3b9k s PHE 45 Ca -0.12 1.11 0.05 0.00 -0.60 0.00 0.00 56.93 57.37 3b9k s PHE 45 Cb -0.02 -2.55 -0.01 0.00 0.51 0.00 0.00 43.02 40.95 3b9k s PHE 45 CO 0.07 0.36 -0.21 -2.00 0.70 0.00 0.00 175.22 174.15 3b9k s GLU 46 N -0.18 2.21 -0.18 0.44 2.12 0.85 -4.99 118.70 118.98 3b9k s GLU 46 Ca 0.29 -0.75 -0.28 0.00 0.36 0.00 0.00 54.97 54.58 3b9k s GLU 46 Cb -0.17 -1.87 -0.00 0.00 0.26 0.00 0.00 34.13 32.34 3b9k s GLU 46 CO 0.15 0.29 0.98 0.12 -0.54 0.00 0.00 175.26 176.27 3b9k s PHE 47 N -0.01 3.41 -0.20 5.30 5.36 -1.26 -0.28 117.98 130.30 3b9k s PHE 47 Ca -0.05 1.46 -0.16 0.00 -0.96 0.00 0.00 56.93 57.21 3b9k s PHE 47 Cb -0.13 -3.19 -0.11 0.00 -0.34 0.00 0.00 43.02 39.25 3b9k s PHE 47 CO 0.03 -0.35 -0.11 1.28 -1.46 0.00 0.00 175.22 174.61 3b9k n LEU 48 N 5.69 1.88 -3.49 6.12 4.77 -0.31 -4.21 117.00 127.44 3b9k n LEU 48 Ca 0.09 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.42 3b9k n LEU 48 Cb 0.47 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 3b9k n LEU 48 CO 0.51 0.04 0.60 0.00 -1.33 0.00 0.00 177.39 177.21 3b9k s ALA 49 N -2.59 -1.77 0.01 -1.18 0.00 -1.06 0.59 121.76 115.77 3b9k s ALA 49 Ca -0.27 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 52.64 3b9k s ALA 49 Cb 0.06 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3b9k s ALA 49 CO 0.44 -0.65 -0.02 -1.54 0.00 0.00 0.00 175.76 173.99 3b9k s SER 50 N -2.33 0.18 -0.07 0.00 1.04 -0.39 -0.76 113.70 111.36 3b9k s SER 50 Ca 0.02 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 3b9k s SER 50 Cb -0.01 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 3b9k s SER 50 CO -0.08 -0.24 -0.02 0.86 0.98 0.00 0.00 173.24 174.74 3b9k s TRP 51 N -1.13 3.07 0.10 5.02 -0.00 -0.76 -0.45 118.94 124.79 3b9k s TRP 51 Ca -0.12 0.13 -0.08 0.00 -0.00 0.00 0.00 56.10 56.03 3b9k s TRP 51 Cb -0.08 -1.75 -0.01 0.00 -0.00 0.00 0.00 33.47 31.63 3b9k s TRP 51 CO -0.01 0.42 0.18 -1.54 -0.00 0.00 0.00 176.95 176.00 3b9k s SER 52 N -0.89 0.15 0.13 5.86 1.04 -0.07 -1.24 113.70 118.68 3b9k s SER 52 Ca 0.13 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 3b9k s SER 52 Cb -0.11 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.26 3b9k s SER 52 CO 0.02 -0.74 1.33 -1.28 0.98 0.00 0.00 173.24 173.55 3b9k h SER 53 N 2.76 0.74 0.00 7.02 0.87 -1.24 -3.36 113.55 120.34 3b9k h SER 53 Ca -0.34 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 3b9k h SER 53 Cb 1.20 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3b9k h SER 53 CO 0.56 1.30 0.00 -1.54 -0.53 0.00 0.00 176.83 176.62 3b9k n SER 54 N -3.87 0.00 -3.48 6.23 3.41 -1.26 -4.85 113.62 109.80 3b9k n SER 54 Ca -0.07 0.76 -0.16 0.00 -0.26 0.00 0.00 58.87 59.13 3b9k n SER 54 Cb 0.76 -0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.40 3b9k n SER 54 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3b9k n LYS 55 N -1.73 -0.24 0.00 4.33 4.76 -1.26 -5.11 118.16 118.90 3b9k n LYS 55 Ca 0.00 -1.58 0.00 0.00 -2.87 0.00 0.00 58.31 53.86 3b9k n LYS 55 Cb 0.00 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 3b9k n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b9k n GLY 56 N -0.20 0.52 3.73 0.72 0.00 -1.26 -3.93 105.19 104.77 3b9k n GLY 56 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3b9k n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b9k s VAL 57 N 2.22 5.29 0.08 1.61 1.01 -1.26 -0.89 120.40 128.46 3b9k s VAL 57 Ca 0.00 0.60 0.09 0.00 0.00 0.00 0.00 61.98 62.67 3b9k s VAL 57 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3b9k s VAL 57 CO 0.00 0.39 -0.23 -0.76 0.00 0.00 0.00 175.10 174.50 3b9k s LEU 58 N 0.41 2.25 0.23 3.92 1.43 0.40 -4.99 118.68 122.34 3b9k s LEU 58 Ca 0.18 -0.64 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3b9k s LEU 58 Cb -0.13 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 3b9k s LEU 58 CO 0.05 0.14 -0.20 -0.31 0.23 0.00 0.00 176.35 176.25 3b9k s TYR 59 N -0.99 2.18 0.19 0.29 2.02 -1.26 -1.26 117.35 118.51 3b9k s TYR 59 Ca 0.09 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 3b9k s TYR 59 Cb -0.10 -1.01 -0.08 0.00 -0.40 0.00 0.00 41.96 40.38 3b9k s TYR 59 CO 0.04 0.57 1.24 0.20 -1.57 0.00 0.00 175.55 176.02 3b9k s GLY 60 N -3.13 2.59 0.48 0.71 0.00 0.20 -4.89 107.32 103.27 3b9k s GLY 60 Ca 0.25 1.01 0.24 0.00 0.00 0.00 0.00 44.72 46.22 3b9k s GLY 60 CO 0.12 1.94 1.98 -2.09 0.00 0.00 0.00 173.10 175.04 3b9k h GLU 61 N 5.32 0.00 -1.77 2.90 4.81 -1.89 -3.06 114.58 120.88 3b9k h GLU 61 Ca -0.45 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.09 3b9k h GLU 61 Cb 1.21 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.34 3b9k h GLU 61 CO 0.76 0.18 0.91 -1.13 -0.73 0.00 0.00 179.01 179.00 3b9k n SER 62 N -3.66 7.39 -4.49 1.04 3.41 -1.26 -4.96 113.62 111.08 3b9k n SER 62 Ca -0.01 -3.71 -0.33 0.00 -0.26 0.00 0.00 58.87 54.55 3b9k n SER 62 Cb 0.30 -1.07 -0.12 0.00 -0.26 0.00 0.00 64.21 63.06 3b9k n SER 62 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3b9k s VAL 63 N -4.53 3.51 0.36 -3.33 1.01 -1.16 -4.95 120.40 111.32 3b9k s VAL 63 Ca 0.55 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3b9k s VAL 63 Cb 0.44 -2.47 0.21 0.00 0.00 0.00 0.00 36.38 34.56 3b9k s VAL 63 CO -0.29 0.55 1.95 -0.78 0.00 0.00 0.00 175.10 176.54 3b9k h ASP 64 N 6.01 0.50 -3.67 3.32 3.58 -1.92 -3.43 116.42 120.81 3b9k h ASP 64 Ca -0.38 -0.06 -0.25 0.00 0.42 0.00 0.00 57.03 56.77 3b9k h ASP 64 Cb 1.18 -0.13 -0.30 0.00 1.72 0.00 0.00 39.33 41.81 3b9k h ASP 64 CO 0.56 0.48 -0.72 -0.54 -2.88 0.00 0.00 179.24 176.14 3b9k s LYS 65 N -5.22 -0.01 0.15 0.28 1.02 -1.26 -5.13 119.74 109.56 3b9k s LYS 65 Ca -0.08 0.06 -0.31 0.00 0.02 0.00 0.00 55.97 55.66 3b9k s LYS 65 Cb 0.16 -0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 3b9k s LYS 65 CO 0.75 -0.05 1.43 -1.59 -0.92 0.00 0.00 175.35 174.97 3b9k s LYS 66 N 0.32 4.30 -0.10 1.68 -2.85 -1.26 -3.61 119.74 118.22 3b9k s LYS 66 Ca -0.03 2.16 0.00 0.00 -1.00 0.00 0.00 55.97 57.10 3b9k s LYS 66 Cb -0.04 -3.21 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 3b9k s LYS 66 CO -0.01 -0.46 0.00 0.54 0.10 0.00 0.00 175.35 175.52 3b9k n ARG 67 N 3.68 -0.56 0.00 1.78 1.74 -1.26 -4.87 116.66 117.18 3b9k n ARG 67 Ca 0.11 0.23 0.13 0.00 -0.77 0.00 0.00 57.85 57.55 3b9k n ARG 67 Cb 0.41 -3.71 0.30 0.00 -1.02 0.00 0.00 32.46 28.44 3b9k n ARG 67 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3b9k n ASN 68 N -0.10 1.62 -4.35 0.55 3.02 -1.24 -4.80 115.26 109.96 3b9k n ASN 68 Ca -0.01 -1.33 -0.35 0.00 -0.03 0.00 0.00 54.58 52.87 3b9k n ASN 68 Cb 0.15 0.15 -0.14 0.00 -0.61 0.00 0.00 39.78 39.34 3b9k n ASN 68 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3b9k s ILE 69 N -2.30 3.44 -0.11 2.41 1.01 -1.26 0.16 121.20 124.54 3b9k s ILE 69 Ca 0.27 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3b9k s ILE 69 Cb 0.20 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 40.15 3b9k s ILE 69 CO 0.45 0.45 -0.09 -0.63 0.00 0.00 0.00 174.94 175.12 3b9k s ILE 70 N 1.12 1.12 -0.14 2.92 1.01 0.20 -5.00 121.20 122.43 3b9k s ILE 70 Ca 0.01 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 3b9k s ILE 70 Cb -0.15 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3b9k s ILE 70 CO -0.01 0.38 0.42 -0.76 0.00 0.00 0.00 174.94 174.98 3b9k s LEU 71 N 1.53 4.26 0.09 2.97 1.43 -1.26 -0.83 118.68 126.87 3b9k s LEU 71 Ca 0.02 0.71 0.06 0.00 -1.03 0.00 0.00 54.13 53.89 3b9k s LEU 71 Cb -0.13 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3b9k s LEU 71 CO -0.07 0.02 -0.15 -1.61 0.23 0.00 0.00 176.35 174.77 3b9k s GLU 72 N 0.66 0.92 -1.58 1.70 2.02 0.25 -4.82 118.70 117.83 3b9k s GLU 72 Ca 0.23 -1.07 -0.17 0.00 0.02 0.00 0.00 54.97 53.98 3b9k s GLU 72 Cb -0.14 -0.90 0.15 0.00 0.10 0.00 0.00 34.13 33.33 3b9k s GLU 72 CO 0.08 0.19 0.70 -1.13 0.02 0.00 0.00 175.26 175.12 3b9k n SER 73 N 1.00 -3.23 -0.29 -0.19 3.41 -1.26 -0.15 113.62 112.91 3b9k n SER 73 Ca -0.19 -0.86 -0.05 0.00 -0.26 0.00 0.00 58.87 57.51 3b9k n SER 73 Cb 0.55 -2.66 0.06 0.00 -0.26 0.00 0.00 64.21 61.90 3b9k n SER 73 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3b9k h SER 74 N -1.29 1.01 -0.31 4.04 0.02 -1.87 -1.28 113.55 113.86 3b9k h SER 74 Ca -0.54 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 3b9k h SER 74 Cb 1.35 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3b9k h SER 74 CO 0.72 0.84 0.00 -0.90 -1.14 0.00 0.00 176.83 176.35 3b9k n ASP 75 N -4.39 2.20 -4.87 3.07 5.75 -1.26 -4.57 116.55 112.49 3b9k n ASP 75 Ca 0.07 -2.13 -0.21 0.00 -0.01 0.00 0.00 54.79 52.51 3b9k n ASP 75 Cb 0.12 -0.33 0.07 0.00 -1.03 0.00 0.00 41.12 39.95 3b9k n ASP 75 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3b9k s SER 76 N -0.80 4.84 0.00 -1.12 1.04 -0.49 -4.94 113.70 112.23 3b9k s SER 76 Ca 0.23 -0.50 0.27 0.00 0.48 0.00 0.00 55.95 56.43 3b9k s SER 76 Cb 0.14 -0.05 1.12 0.00 0.10 0.00 0.00 66.02 67.32 3b9k s SER 76 CO 0.13 -1.50 1.78 -2.11 0.98 0.00 0.00 173.24 172.52 3b9k n ARG 77 N -2.48 1.56 -3.70 4.02 1.85 -1.26 -3.97 116.66 112.67 3b9k n ARG 77 Ca 0.14 -0.82 -0.28 0.00 -1.00 0.00 0.00 57.85 55.89 3b9k n ARG 77 Cb 0.61 -1.46 -0.12 0.00 -1.05 0.00 0.00 32.46 30.44 3b9k n ARG 77 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3b9k s ARG 78 N -1.96 1.77 0.49 2.89 0.52 -1.26 -1.15 118.95 120.24 3b9k s ARG 78 Ca 0.38 -2.74 -0.24 0.00 -0.52 0.00 0.00 55.73 52.62 3b9k s ARG 78 Cb 0.20 -2.60 -0.07 0.00 0.52 0.00 0.00 34.95 33.00 3b9k s ARG 78 CO 0.32 -1.30 1.39 -2.30 0.02 0.00 0.00 175.30 173.44 3b9k n PRO 79 N 2.50 2.02 -4.59 3.54 -0.02 -1.18 -4.74 135.00 132.53 3b9k n PRO 79 Ca 0.21 0.73 -0.26 0.00 -2.02 0.00 0.00 63.50 62.16 3b9k n PRO 79 Cb 0.39 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.14 3b9k n PRO 79 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3b9k s PHE 80 N -1.23 1.92 -0.05 6.00 0.40 0.78 -1.51 117.98 124.31 3b9k s PHE 80 Ca 0.65 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.65 3b9k s PHE 80 Cb -0.44 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 3b9k s PHE 80 CO 0.54 0.14 -0.24 -1.17 0.70 0.00 0.00 175.22 175.20 3b9k s LEU 81 N -1.40 2.16 -0.11 -0.37 0.20 0.56 -0.59 118.68 119.14 3b9k s LEU 81 Ca 0.08 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.45 3b9k s LEU 81 Cb -0.09 -1.39 0.02 0.00 -0.43 0.00 0.00 46.19 44.30 3b9k s LEU 81 CO 0.03 0.28 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.85 3b9k s SER 82 N -0.37 2.15 -0.17 3.68 0.01 -0.01 -0.80 113.70 118.20 3b9k s SER 82 Ca 0.03 -0.30 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 3b9k s SER 82 Cb -0.12 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 3b9k s SER 82 CO 0.02 -0.11 0.19 -0.63 0.41 0.00 0.00 173.24 173.12 3b9k s ILE 83 N 1.67 5.37 -0.15 1.44 1.01 -0.81 -0.63 121.20 129.10 3b9k s ILE 83 Ca 0.04 0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 3b9k s ILE 83 Cb -0.13 -3.52 -0.13 0.00 0.01 0.00 0.00 42.46 38.69 3b9k s ILE 83 CO -0.08 0.45 0.22 0.24 0.00 0.00 0.00 174.94 175.78 3b9k h MET 84 N 6.38 0.00 -1.84 2.79 2.86 -0.62 -1.67 114.93 122.84 3b9k h MET 84 Ca -0.43 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.54 3b9k h MET 84 Cb 1.17 0.00 -0.36 0.00 0.06 0.00 0.00 31.60 32.47 3b9k h MET 84 CO 0.73 0.57 -0.03 0.09 1.06 0.00 0.00 176.91 179.34 3b9k n ASN 85 N -4.59 5.75 -4.58 1.22 4.13 -1.26 -3.49 115.26 112.44 3b9k n ASN 85 Ca -0.14 -3.75 -0.46 0.00 1.68 0.00 0.00 54.58 51.91 3b9k n ASN 85 Cb 0.40 -0.72 -0.02 0.00 -1.54 0.00 0.00 39.78 37.90 3b9k n ASN 85 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3b9k n VAL 86 N -0.43 1.58 -4.40 2.41 0.31 -1.12 -4.18 118.33 112.51 3b9k n VAL 86 Ca 0.43 -0.39 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 3b9k n VAL 86 Cb 0.46 -0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 3b9k n VAL 86 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3b9k s LYS 87 N -1.08 1.47 0.58 5.55 1.02 -1.26 -1.07 119.74 124.94 3b9k s LYS 87 Ca 0.64 -1.64 0.32 0.00 0.02 0.00 0.00 55.97 55.31 3b9k s LYS 87 Cb -0.76 -1.42 1.76 0.00 -0.52 0.00 0.00 37.83 36.90 3b9k s LYS 87 CO 0.57 0.26 2.18 -1.35 -0.92 0.00 0.00 175.35 176.09 3b9k h PRO 88 N 2.53 0.00 -0.18 -1.68 0.11 -1.92 -1.86 132.00 129.01 3b9k h PRO 88 Ca -0.39 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 3b9k h PRO 88 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3b9k h PRO 88 CO 0.60 0.05 -0.45 0.93 -0.21 0.00 0.00 178.00 178.92 3b9k h GLU 89 N 0.00 0.43 -0.95 1.05 5.08 -1.95 -2.97 114.58 115.28 3b9k h GLU 89 Ca -0.00 -0.23 -0.31 0.00 -1.00 0.00 0.00 59.36 57.82 3b9k h GLU 89 Cb 0.18 0.01 -0.19 0.00 0.50 0.00 0.00 28.75 29.25 3b9k h GLU 89 CO 0.01 0.80 0.39 -0.40 -1.00 0.00 0.00 179.01 178.81 3b9k n ASP 90 N -4.00 3.68 -4.72 1.42 5.68 -0.70 -4.88 116.55 113.03 3b9k n ASP 90 Ca -0.02 -3.07 -0.41 0.00 -0.50 0.00 0.00 54.79 50.79 3b9k n ASP 90 Cb 0.53 -0.73 -0.04 0.00 -1.14 0.00 0.00 41.12 39.74 3b9k n ASP 90 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3b9k s SER 91 N -0.63 7.19 -0.05 -1.12 1.04 -1.12 -4.89 113.70 114.12 3b9k s SER 91 Ca 0.41 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 57.98 3b9k s SER 91 Cb 0.34 -2.49 0.10 0.00 0.10 0.00 0.00 66.02 64.07 3b9k s SER 91 CO 0.08 -0.14 1.32 -1.81 0.98 0.00 0.00 173.24 173.68 3b9k s ASP 92 N 0.65 -0.00 0.11 7.02 1.01 0.09 -4.94 116.67 120.61 3b9k s ASP 92 Ca 0.43 -0.12 -0.30 0.00 0.71 0.00 0.00 52.55 53.27 3b9k s ASP 92 Cb -0.20 0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.77 3b9k s ASP 92 CO 0.23 -0.19 1.05 -0.36 0.21 0.00 0.00 175.17 176.11 3b9k s PHE 93 N -2.04 3.66 -0.05 4.23 0.08 -1.25 -1.26 117.98 121.35 3b9k s PHE 93 Ca 0.28 1.64 0.05 0.00 0.12 0.00 0.00 56.93 59.03 3b9k s PHE 93 Cb 0.01 -3.19 -0.01 0.00 -0.57 0.00 0.00 43.02 39.26 3b9k s PHE 93 CO -0.02 -0.32 -0.20 0.71 -0.10 0.00 0.00 175.22 175.29 3b9k s TYR 94 N 0.26 1.93 0.06 0.36 1.51 0.37 -0.93 117.35 120.92 3b9k s TYR 94 Ca 0.50 -0.55 0.06 0.00 -1.01 0.00 0.00 57.07 56.07 3b9k s TYR 94 Cb -0.26 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 3b9k s TYR 94 CO 0.31 -0.17 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.37 3b9k s PHE 95 N -0.06 1.33 0.36 2.71 0.40 0.19 -1.40 117.98 121.51 3b9k s PHE 95 Ca -0.03 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3b9k s PHE 95 Cb -0.12 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 3b9k s PHE 95 CO 0.02 0.07 0.52 0.00 0.70 0.00 0.00 175.22 176.53 3b9k s ALA 97 N -2.27 -1.71 0.41 0.00 0.00 0.15 0.12 121.76 118.46 3b9k s ALA 97 Ca 0.45 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.70 3b9k s ALA 97 Cb -0.10 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 3b9k s ALA 97 CO 0.33 -0.39 0.05 0.95 0.00 0.00 0.00 175.76 176.70 3b9k s THR 98 N -1.37 2.10 0.09 0.00 -4.23 0.26 -0.36 115.64 112.14 3b9k s THR 98 Ca -0.10 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3b9k s THR 98 Cb -0.00 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3b9k s THR 98 CO 0.08 -0.01 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.39 3b9k s VAL 99 N -2.67 0.69 0.00 2.29 1.01 -1.26 -2.20 120.40 118.25 3b9k s VAL 99 Ca 0.36 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3b9k s VAL 99 Cb 0.08 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3b9k s VAL 99 CO 0.19 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.07 3b9k n GLY 100 N 0.09 4.08 2.38 4.51 0.00 0.22 -4.93 105.19 111.54 3b9k n GLY 100 Ca -0.13 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 3b9k n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3b9k n SER 101 N 0.00 -0.07 0.09 1.61 7.64 -1.26 -4.60 113.62 117.03 3b9k n SER 101 Ca 0.00 -2.51 0.12 0.00 1.01 0.00 0.00 58.87 57.49 3b9k n SER 101 Cb 0.00 -0.58 0.08 0.00 -1.01 0.00 0.00 64.21 62.70 3b9k n SER 101 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3b9k h PRO 102 N 5.24 0.00 0.00 1.43 0.14 -2.05 -3.52 132.00 133.24 3b9k h PRO 102 Ca 0.22 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.36 3b9k h PRO 102 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.03 3b9k h PRO 102 CO 0.42 0.00 0.00 1.17 0.14 0.00 0.00 178.00 179.73 3b9k n LYS 103 N -2.45 0.00 -4.67 0.86 3.00 -1.26 -4.93 118.16 108.71 3b9k n LYS 103 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.01 3b9k n LYS 103 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.41 3b9k n LYS 103 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 3b9k s MET 104 N 0.00 2.35 -0.09 1.64 -2.45 -1.26 0.72 119.30 120.20 3b9k s MET 104 Ca 0.00 -0.82 -0.05 0.00 -1.25 0.00 0.00 55.69 53.58 3b9k s MET 104 Cb 0.00 -2.34 0.04 0.00 1.25 0.00 0.00 34.83 33.79 3b9k s MET 104 CO 0.00 0.58 0.22 0.08 1.05 0.00 0.00 175.02 176.95 3b9k s VAL 105 N -0.89 -0.05 0.16 10.11 1.01 -0.93 -5.01 120.40 124.80 3b9k s VAL 105 Ca 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 3b9k s VAL 105 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3b9k s VAL 105 CO 0.04 0.07 0.35 -0.36 0.00 0.00 0.00 175.10 175.20 3b9k s PHE 106 N 1.28 3.49 0.80 5.22 0.40 -1.26 -0.57 117.98 127.34 3b9k s PHE 106 Ca -0.09 0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 56.46 3b9k s PHE 106 Cb -0.11 -1.86 0.05 0.00 0.51 0.00 0.00 43.02 41.61 3b9k s PHE 106 CO -0.08 0.43 0.95 0.41 0.70 0.00 0.00 175.22 177.64 3b9k n GLY 107 N -0.34 -0.59 3.57 4.36 0.00 0.33 -4.45 105.19 108.06 3b9k n GLY 107 Ca -0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3b9k n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b9k s THR 108 N -2.10 2.04 0.75 2.61 -4.23 -0.72 -4.77 115.64 109.23 3b9k s THR 108 Ca 0.70 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 3b9k s THR 108 Cb -0.30 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.54 3b9k s THR 108 CO 0.54 -0.02 1.12 -0.83 -0.54 0.00 0.00 174.62 174.89 3b9k s GLY 109 N -2.57 1.62 -0.26 3.99 0.00 -1.26 -4.35 107.32 104.49 3b9k s GLY 109 Ca 0.68 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 3b9k s GLY 109 CO 0.62 0.02 -0.06 -1.59 0.00 0.00 0.00 173.10 172.09 3b9k s THR 110 N -3.37 2.79 -0.97 0.90 2.01 -0.49 -4.16 115.64 112.36 3b9k s THR 110 Ca 0.60 -1.18 -0.19 0.00 0.31 0.00 0.00 61.69 61.22 3b9k s THR 110 Cb -0.12 -2.48 0.12 0.00 0.01 0.00 0.00 72.50 70.03 3b9k s THR 110 CO 0.52 0.11 1.21 -0.75 -0.69 0.00 0.00 174.62 175.02 3b9k s LYS 111 N 1.28 3.63 -0.21 4.92 2.20 0.82 -0.48 119.74 131.90 3b9k s LYS 111 Ca -0.02 -1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 53.61 3b9k s LYS 111 Cb -0.18 -5.02 0.01 0.00 -1.51 0.00 0.00 37.83 31.13 3b9k s LYS 111 CO -0.04 -1.86 1.03 -1.17 -0.36 0.00 0.00 175.35 172.94 3b9k s LEU 112 N 3.09 4.13 -0.09 5.43 2.96 -0.39 -1.96 118.68 131.85 3b9k s LEU 112 Ca 0.36 1.39 0.02 0.00 -0.22 0.00 0.00 54.13 55.69 3b9k s LEU 112 Cb -0.04 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 3b9k s LEU 112 CO -0.09 -0.62 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.27 3b9k s THR 113 N 2.97 2.86 -0.17 3.68 2.01 -0.64 -0.73 115.64 125.62 3b9k s THR 113 Ca 0.44 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3b9k s THR 113 Cb -0.16 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.21 3b9k s THR 113 CO 0.08 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.71 3b9k s VAL 114 N -0.08 2.39 0.37 3.82 1.01 -1.26 -1.91 120.40 124.74 3b9k s VAL 114 Ca -0.03 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3b9k s VAL 114 Cb -0.14 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 3b9k s VAL 114 CO 0.04 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 175.03 3b9k s VAL 115 N 1.09 1.21 0.00 2.92 1.01 -0.45 -4.09 120.40 122.09 3b9k s VAL 115 Ca -0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 3b9k s VAL 115 Cb -0.14 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3b9k s VAL 115 CO -0.06 0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.51 3b9k n ASP 116 N -0.88 1.26 0.00 3.32 8.00 -1.26 -1.22 116.55 125.77 3b9k n ASP 116 Ca -0.05 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3b9k n ASP 116 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 3b9k n ASP 116 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33