#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i14 s THR 7 N 0.00 3.63 -0.03 3.15 -4.23 -1.26 -4.82 115.64 112.09 3i14 s THR 7 Ca 0.00 1.44 0.03 0.00 -1.18 0.00 0.00 61.69 61.98 3i14 s THR 7 Cb 0.00 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.92 3i14 s THR 7 CO 0.00 0.26 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.56 3i14 s VAL 8 N -0.38 0.85 -0.06 2.29 1.01 -1.26 -0.37 120.40 122.48 3i14 s VAL 8 Ca 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3i14 s VAL 8 Cb -0.32 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3i14 s VAL 8 CO 0.37 0.26 -0.03 -0.63 0.00 0.00 0.00 175.10 175.08 3i14 s ILE 9 N 0.19 0.51 0.22 2.22 1.01 -0.15 -5.00 121.20 120.20 3i14 s ILE 9 Ca -0.03 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.64 3i14 s ILE 9 Cb -0.09 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 3i14 s ILE 9 CO 0.01 0.25 0.05 -0.54 0.00 0.00 0.00 174.94 174.70 3i14 s LYS 10 N 1.34 2.52 0.24 2.79 3.01 -1.26 -0.73 119.74 127.64 3i14 s LYS 10 Ca -0.04 -1.17 -0.04 0.00 -1.01 0.00 0.00 55.97 53.70 3i14 s LYS 10 Cb -0.13 -2.36 0.06 0.00 -1.01 0.00 0.00 37.83 34.38 3i14 s LYS 10 CO -0.02 0.42 0.28 0.27 0.51 0.00 0.00 175.35 176.80 3i14 n ASN 11 N -0.60 -0.47 0.24 2.83 2.04 -0.30 -5.01 115.26 113.99 3i14 n ASN 11 Ca -0.08 -0.93 -0.10 0.00 -0.44 0.00 0.00 54.58 53.03 3i14 n ASN 11 Cb 0.57 -0.23 -0.05 0.00 -2.53 0.00 0.00 39.78 37.55 3i14 n ASN 11 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3i14 h GLU 12 N 0.00 -0.60 -7.09 -3.83 4.11 -2.01 -3.41 114.58 101.76 3i14 h GLU 12 Ca -0.09 0.04 -0.46 0.00 0.07 0.00 0.00 59.36 58.91 3i14 h GLU 12 Cb 0.27 0.14 0.22 0.00 0.50 0.00 0.00 28.75 29.87 3i14 h GLU 12 CO 0.06 -0.40 -0.11 0.25 0.07 0.00 0.00 179.01 178.89 3i14 n THR 13 N -3.74 0.00 0.51 -1.06 -2.24 -1.26 -4.87 114.28 101.61 3i14 n THR 13 Ca -0.08 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.40 3i14 n THR 13 Cb 0.25 -0.94 0.10 0.00 -2.10 0.00 0.00 70.33 67.65 3i14 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i14 n GLY 14 N 0.98 1.92 0.22 3.38 0.00 -1.26 -4.43 105.19 106.00 3i14 n GLY 14 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3i14 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i14 h THR 15 N 0.99 1.24 -3.48 2.61 1.03 -1.89 -3.42 112.91 109.99 3i14 h THR 15 Ca 0.01 -1.12 -0.36 0.00 -0.01 0.00 0.00 66.41 64.92 3i14 h THR 15 Cb 0.91 1.44 -0.34 0.00 -1.07 0.00 0.00 68.15 69.09 3i14 h THR 15 CO 0.14 0.34 -0.75 -0.51 -0.01 0.00 0.00 175.52 174.72 3i14 s ILE 16 N -4.44 0.27 -0.02 0.00 1.10 -1.26 -1.00 121.20 115.84 3i14 s ILE 16 Ca -0.05 0.04 0.02 0.00 -0.51 0.00 0.00 60.65 60.15 3i14 s ILE 16 Cb 0.15 -0.35 0.00 0.00 0.15 0.00 0.00 42.46 42.40 3i14 s ILE 16 CO 0.75 0.17 -0.08 -0.55 -2.11 0.00 0.00 174.94 173.11 3i14 s SER 17 N 1.03 1.12 -0.08 4.50 0.15 -0.27 -1.15 113.70 119.00 3i14 s SER 17 Ca -0.10 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.43 3i14 s SER 17 Cb -0.14 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.90 3i14 s SER 17 CO -0.01 0.07 -0.23 0.27 1.20 0.00 0.00 173.24 174.54 3i14 s ILE 18 N 0.12 2.21 -0.12 6.45 -4.36 0.09 -0.24 121.20 125.35 3i14 s ILE 18 Ca -0.02 -0.99 0.02 0.00 -0.26 0.00 0.00 60.65 59.41 3i14 s ILE 18 Cb -0.07 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.81 3i14 s ILE 18 CO 0.00 0.56 -0.19 -0.44 0.24 0.00 0.00 174.94 175.11 3i14 s SER 19 N 0.07 2.83 -0.32 4.36 0.01 0.04 -0.98 113.70 119.70 3i14 s SER 19 Ca -0.10 -0.53 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 3i14 s SER 19 Cb -0.16 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.79 3i14 s SER 19 CO 0.06 0.06 1.27 -1.58 0.41 0.00 0.00 173.24 173.46 3i14 s GLN 20 N 0.83 3.90 0.27 12.44 0.74 0.50 -0.32 119.66 138.02 3i14 s GLN 20 Ca -0.08 1.15 0.15 0.00 0.05 0.00 0.00 55.36 56.63 3i14 s GLN 20 Cb -0.16 -3.87 0.05 0.00 1.10 0.00 0.00 33.01 30.14 3i14 s GLN 20 CO -0.01 -1.14 1.42 -0.07 -0.55 0.00 0.00 175.29 174.94 3i14 h LEU 21 N 10.88 0.00 -7.00 3.68 3.38 -1.28 -3.40 115.31 121.56 3i14 h LEU 21 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3i14 h LEU 21 Cb 1.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 3i14 h LEU 21 CO 1.04 0.51 0.30 0.21 0.09 0.00 0.00 178.44 180.59 3i14 s ASN 22 N -6.44 -0.53 0.36 -0.43 3.84 -0.72 -4.99 114.94 106.04 3i14 s ASN 22 Ca 0.04 0.19 0.18 0.00 0.21 0.00 0.00 52.86 53.48 3i14 s ASN 22 Cb 0.08 0.52 1.24 0.00 -0.55 0.00 0.00 41.25 42.53 3i14 s ASN 22 CO 0.75 -0.76 1.61 0.50 -2.79 0.00 0.00 177.10 176.41 3i14 h LYS 23 N 2.27 0.13 0.00 0.43 3.64 -2.01 -2.73 116.57 118.30 3i14 h LYS 23 Ca -0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3i14 h LYS 23 Cb 1.24 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3i14 h LYS 23 CO 0.36 0.09 0.00 0.09 -2.27 0.00 0.00 179.45 177.72 3i14 n ASN 24 N -5.17 0.82 -4.19 4.20 5.03 -1.26 -4.96 115.26 109.72 3i14 n ASN 24 Ca 0.35 -1.17 -0.33 0.00 0.87 0.00 0.00 54.58 54.31 3i14 n ASN 24 Cb 1.16 0.00 -0.16 0.00 -1.02 0.00 0.00 39.78 39.76 3i14 n ASN 24 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3i14 s VAL 25 N -0.17 2.20 0.08 2.41 1.01 -1.03 -0.26 120.40 124.65 3i14 s VAL 25 Ca 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.12 3i14 s VAL 25 Cb 0.00 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3i14 s VAL 25 CO 0.00 0.54 -0.19 0.26 0.00 0.00 0.00 175.10 175.71 3i14 s TRP 26 N 0.80 1.67 -0.20 5.22 0.52 -0.11 -0.76 118.94 126.08 3i14 s TRP 26 Ca -0.07 -0.41 -0.15 0.00 0.02 0.00 0.00 56.10 55.49 3i14 s TRP 26 Cb -0.16 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 3i14 s TRP 26 CO -0.01 0.15 0.36 0.08 0.02 0.00 0.00 176.95 177.55 3i14 s VAL 27 N -1.09 5.23 -0.11 4.03 1.01 0.56 0.01 120.40 130.03 3i14 s VAL 27 Ca 0.05 0.63 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 3i14 s VAL 27 Cb -0.10 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3i14 s VAL 27 CO 0.03 0.28 0.22 -1.38 0.00 0.00 0.00 175.10 174.26 3i14 s HIS 28 N 1.17 3.58 -0.05 5.22 -3.43 -0.01 -0.78 115.29 120.97 3i14 s HIS 28 Ca 0.17 0.61 0.02 0.00 -0.80 0.00 0.00 55.06 55.06 3i14 s HIS 28 Cb -0.14 -2.12 0.02 0.00 -1.43 0.00 0.00 32.58 28.90 3i14 s HIS 28 CO 0.07 0.56 -0.08 0.99 -2.00 0.00 0.00 174.74 174.29 3i14 s THR 29 N -0.57 0.79 0.05 -5.38 2.01 0.66 -0.42 115.64 112.79 3i14 s THR 29 Ca 0.16 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 61.97 3i14 s THR 29 Cb -0.13 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3i14 s THR 29 CO 0.05 0.28 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.41 3i14 s GLU 30 N 0.81 1.58 0.02 4.92 8.01 -0.31 -1.11 118.70 132.63 3i14 s GLU 30 Ca -0.12 -1.05 -0.06 0.00 0.01 0.00 0.00 54.97 53.75 3i14 s GLU 30 Cb -0.15 -1.75 -0.05 0.00 -4.31 0.00 0.00 34.13 27.87 3i14 s GLU 30 CO 0.02 0.45 0.27 -0.51 0.01 0.00 0.00 175.26 175.49 3i14 s LEU 31 N -1.26 4.36 0.00 1.80 1.43 -0.17 -1.36 118.68 123.48 3i14 s LEU 31 Ca 0.10 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3i14 s LEU 31 Cb -0.09 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.37 3i14 s LEU 31 CO 0.02 0.23 0.00 0.55 0.23 0.00 0.00 176.35 177.38 3i14 n VAL 39 N 0.95 0.00 -3.02 -1.59 3.14 -1.26 -4.89 118.33 111.66 3i14 n VAL 39 Ca -0.10 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.94 3i14 n VAL 39 Cb 0.53 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.24 3i14 n VAL 39 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3i14 s PRO 40 N 0.00 4.22 -0.01 1.45 0.04 -1.26 -5.09 135.00 134.36 3i14 s PRO 40 Ca 0.00 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.01 3i14 s PRO 40 Cb 0.00 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 3i14 s PRO 40 CO 0.00 0.23 -0.17 0.45 0.04 0.00 0.00 177.00 177.55 3i14 s SER 41 N -1.93 1.97 0.12 6.66 0.15 -0.46 -4.49 113.70 115.71 3i14 s SER 41 Ca 0.51 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.89 3i14 s SER 41 Cb -0.14 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 3i14 s SER 41 CO 0.19 0.19 -0.04 0.20 1.20 0.00 0.00 173.24 174.98 3i14 s ASN 42 N -0.50 4.73 0.00 5.45 0.01 0.01 -1.17 114.94 123.47 3i14 s ASN 42 Ca 0.06 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.90 3i14 s ASN 42 Cb -0.07 -1.02 0.00 0.00 0.41 0.00 0.00 41.25 40.58 3i14 s ASN 42 CO -0.00 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 3i14 n GLY 43 N 0.42 3.39 3.44 0.66 0.00 0.44 -4.85 105.19 108.69 3i14 n GLY 43 Ca -0.11 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 3i14 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i14 s LEU 44 N 0.00 2.52 -0.21 0.99 1.43 -0.13 -0.83 118.68 122.45 3i14 s LEU 44 Ca 0.00 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 3i14 s LEU 44 Cb 0.00 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3i14 s LEU 44 CO 0.00 0.17 -0.05 -0.69 0.23 0.00 0.00 176.35 176.01 3i14 s VAL 45 N -1.16 3.37 -0.32 -1.59 1.01 0.10 -0.79 120.40 121.02 3i14 s VAL 45 Ca 0.17 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 3i14 s VAL 45 Cb -0.10 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3i14 s VAL 45 CO 0.08 0.43 0.17 -0.76 0.00 0.00 0.00 175.10 175.03 3i14 s LEU 46 N 1.34 4.20 -0.62 3.92 1.43 0.53 -0.93 118.68 128.54 3i14 s LEU 46 Ca 0.04 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.39 3i14 s LEU 46 Cb -0.14 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.13 3i14 s LEU 46 CO -0.02 -0.21 0.89 0.21 0.23 0.00 0.00 176.35 177.45 3i14 s ASN 47 N 1.63 6.20 0.34 2.29 2.47 0.65 -1.55 114.94 126.96 3i14 s ASN 47 Ca 0.05 -1.00 0.08 0.00 0.42 0.00 0.00 52.86 52.41 3i14 s ASN 47 Cb -0.17 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.20 3i14 s ASN 47 CO 0.07 -1.32 0.14 0.42 -3.72 0.00 0.00 177.10 172.69 3i14 s THR 48 N 3.69 3.03 -0.13 -5.21 -4.23 -0.91 -4.78 115.64 107.10 3i14 s THR 48 Ca 0.21 -1.70 0.28 0.00 -1.18 0.00 0.00 61.69 59.30 3i14 s THR 48 Cb -0.18 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 70.98 3i14 s THR 48 CO 0.11 -0.18 1.85 0.77 -0.54 0.00 0.00 174.62 176.62 3i14 h SER 49 N 1.55 0.00 -0.17 3.99 4.64 -1.95 -2.64 113.55 118.98 3i14 h SER 49 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3i14 h SER 49 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3i14 h SER 49 CO 0.63 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.88 3i14 n LYS 50 N -2.54 2.08 0.00 4.77 4.76 -1.26 -4.98 118.16 120.99 3i14 n LYS 50 Ca 0.00 -1.61 0.00 0.00 -2.87 0.00 0.00 58.31 53.83 3i14 n LYS 50 Cb 0.17 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3i14 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i14 n GLY 51 N 0.27 1.31 3.79 0.72 0.00 -0.99 -4.94 105.19 105.34 3i14 n GLY 51 Ca 0.07 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 3i14 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i14 s LEU 52 N 0.00 4.43 -0.09 0.99 1.43 0.38 -2.14 118.68 123.68 3i14 s LEU 52 Ca 0.00 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 3i14 s LEU 52 Cb 0.00 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 3i14 s LEU 52 CO 0.00 0.21 -0.24 -0.69 0.23 0.00 0.00 176.35 175.86 3i14 s VAL 53 N -0.56 2.13 -0.11 -1.59 1.01 -0.59 -0.90 120.40 119.77 3i14 s VAL 53 Ca 0.26 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3i14 s VAL 53 Cb -0.17 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3i14 s VAL 53 CO 0.14 0.56 0.06 -0.76 0.00 0.00 0.00 175.10 175.10 3i14 s LEU 54 N 0.21 3.90 -0.43 3.92 1.43 -0.32 -0.35 118.68 127.04 3i14 s LEU 54 Ca -0.15 0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 3i14 s LEU 54 Cb -0.17 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3i14 s LEU 54 CO 0.07 0.36 0.44 -0.69 0.23 0.00 0.00 176.35 176.76 3i14 s VAL 55 N -0.76 5.09 0.40 -1.59 1.01 0.03 -0.85 120.40 123.73 3i14 s VAL 55 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3i14 s VAL 55 Cb -0.12 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3i14 s VAL 55 CO 0.03 -0.44 0.00 0.47 0.00 0.00 0.00 175.10 175.15 3i14 n ASP 56 N 5.59 -6.07 0.00 3.32 8.00 0.70 -0.96 116.55 127.14 3i14 n ASP 56 Ca -0.08 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.61 3i14 n ASP 56 Cb 0.47 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3i14 n ASP 56 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i14 n SER 57 N -1.87 0.00 -3.23 -2.24 3.41 -1.26 -4.63 113.62 103.80 3i14 n SER 57 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 3i14 n SER 57 Cb 0.24 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 3i14 n SER 57 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i14 n SER 58 N 0.00 1.56 -0.29 4.04 2.88 -1.26 -4.84 113.62 115.70 3i14 n SER 58 Ca 0.00 -2.44 0.08 0.00 -1.33 0.00 0.00 58.87 55.18 3i14 n SER 58 Cb 0.00 0.58 0.24 0.00 -0.75 0.00 0.00 64.21 64.27 3i14 n SER 58 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3i14 h TRP 59 N 1.38 0.71 -3.08 0.66 4.06 -1.91 -3.29 115.95 114.48 3i14 h TRP 59 Ca -0.23 0.04 -0.14 0.00 2.06 0.00 0.00 58.89 60.62 3i14 h TRP 59 Cb 0.81 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.76 3i14 h TRP 59 CO 0.00 0.12 -0.05 -0.40 -3.56 0.00 0.00 178.44 174.55 3i14 n ASP 60 N -4.93 -0.86 -0.11 -3.49 5.68 -1.26 -4.26 116.55 107.32 3i14 n ASP 60 Ca 0.18 -2.07 -0.13 0.00 -0.50 0.00 0.00 54.79 52.27 3i14 n ASP 60 Cb 0.48 1.58 -0.03 0.00 -1.14 0.00 0.00 41.12 42.00 3i14 n ASP 60 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3i14 h ASP 61 N 1.14 0.85 -0.19 -1.12 3.32 -1.87 -1.94 116.42 116.61 3i14 h ASP 61 Ca -0.16 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.48 3i14 h ASP 61 Cb 0.69 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 3i14 h ASP 61 CO 0.22 1.13 -0.13 0.11 -1.72 0.00 0.00 179.24 178.85 3i14 h LYS 62 N 0.58 -0.12 -0.22 3.56 6.56 -1.97 -0.27 116.57 124.68 3i14 h LYS 62 Ca 0.06 0.01 -0.17 0.00 -1.06 0.00 0.00 60.65 59.49 3i14 h LYS 62 Cb 0.87 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.56 3i14 h LYS 62 CO 0.08 -0.08 -0.54 -0.07 -2.06 0.00 0.00 179.45 176.77 3i14 h LEU 63 N -0.13 0.73 -0.31 2.94 3.38 -1.96 -2.21 115.31 117.76 3i14 h LEU 63 Ca 0.11 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i14 h LEU 63 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3i14 h LEU 63 CO -0.27 1.13 0.18 0.74 0.09 0.00 0.00 178.44 180.31 3i14 h THR 64 N 0.51 1.11 -0.48 0.22 2.02 -1.09 0.23 112.91 115.44 3i14 h THR 64 Ca 0.01 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.95 3i14 h THR 64 Cb 1.10 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 3i14 h THR 64 CO 0.11 0.11 0.28 0.11 0.37 0.00 0.00 175.52 176.50 3i14 h LYS 65 N 0.39 0.55 -0.75 6.66 1.57 -0.96 -1.20 116.57 122.82 3i14 h LYS 65 Ca 0.11 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3i14 h LYS 65 Cb 0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3i14 h LYS 65 CO -0.02 0.36 0.32 1.49 -0.57 0.00 0.00 179.45 181.03 3i14 h GLU 66 N 0.56 1.10 0.04 3.15 4.81 -1.16 -1.10 114.58 121.99 3i14 h GLU 66 Ca 0.19 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3i14 h GLU 66 Cb 0.02 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3i14 h GLU 66 CO -0.09 0.88 -0.02 1.25 -0.73 0.00 0.00 179.01 180.30 3i14 h LEU 67 N 1.08 -0.04 -0.22 1.64 5.85 -0.66 -0.60 115.31 122.36 3i14 h LEU 67 Ca 0.26 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3i14 h LEU 67 Cb 0.17 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3i14 h LEU 67 CO -0.03 0.11 0.13 0.40 -0.34 0.00 0.00 178.44 178.71 3i14 h ILE 68 N -0.19 1.04 -0.69 4.05 2.04 -1.02 -1.82 117.51 120.91 3i14 h ILE 68 Ca -0.01 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 3i14 h ILE 68 Cb 0.18 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3i14 h ILE 68 CO 0.01 0.05 0.18 -0.33 0.00 0.00 0.00 178.15 178.06 3i14 h GLU 69 N 0.27 1.09 -0.30 2.37 5.08 -1.03 0.73 114.58 122.79 3i14 h GLU 69 Ca 0.08 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3i14 h GLU 69 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3i14 h GLU 69 CO -0.03 0.96 0.18 1.98 -1.00 0.00 0.00 179.01 181.10 3i14 h MET 70 N 1.04 0.37 0.03 2.33 4.05 -0.73 -2.42 114.93 119.59 3i14 h MET 70 Ca 0.22 -0.02 -0.24 0.00 -0.28 0.00 0.00 59.70 59.38 3i14 h MET 70 Cb 0.35 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3i14 h MET 70 CO -0.00 0.24 -1.00 -0.39 0.23 0.00 0.00 176.91 175.99 3i14 h VAL 71 N 0.38 1.41 -0.67 -5.77 -1.51 -0.96 -1.84 116.25 107.30 3i14 h VAL 71 Ca 0.11 -2.55 -0.02 0.00 -1.23 0.00 0.00 66.70 63.02 3i14 h VAL 71 Cb -0.02 2.51 -0.03 0.00 -2.13 0.00 0.00 31.29 31.62 3i14 h VAL 71 CO -0.04 0.76 0.36 -0.33 -1.23 0.00 0.00 177.57 177.09 3i14 h GLU 72 N 0.20 0.94 -0.26 5.19 5.08 -0.86 -0.47 114.58 124.40 3i14 h GLU 72 Ca -0.09 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3i14 h GLU 72 Cb 1.65 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 3i14 h GLU 72 CO 0.17 0.71 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.64 3i14 h LYS 73 N 0.91 0.49 0.15 2.33 3.64 -1.37 -0.64 116.57 122.08 3i14 h LYS 73 Ca 0.23 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3i14 h LYS 73 Cb 0.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3i14 h LYS 73 CO -0.04 0.68 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.54 3i14 h LYS 74 N 0.25 -0.19 -0.00 1.90 3.64 -1.06 -3.25 116.57 117.86 3i14 h LYS 74 Ca 0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3i14 h LYS 74 Cb 0.49 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3i14 h LYS 74 CO 0.02 0.14 -0.15 1.19 -2.27 0.00 0.00 179.45 178.38 3i14 n PHE 75 N -5.03 0.00 -3.73 1.91 3.72 -0.21 -4.96 117.46 109.16 3i14 n PHE 75 Ca -0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 3i14 n PHE 75 Cb 0.22 -0.39 0.04 0.00 -0.94 0.00 0.00 39.48 38.41 3i14 n PHE 75 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i14 n GLN 76 N -1.44 -5.58 -3.70 -1.08 1.13 -0.25 -5.00 117.38 101.45 3i14 n GLN 76 Ca 0.08 0.66 -0.10 0.00 -1.94 0.00 0.00 57.00 55.69 3i14 n GLN 76 Cb 0.33 -5.41 -0.04 0.00 0.11 0.00 0.00 30.24 25.23 3i14 n GLN 76 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3i14 s LYS 77 N -6.15 1.37 0.31 -1.09 -2.85 -1.20 -5.08 119.74 105.05 3i14 s LYS 77 Ca 0.26 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.97 54.32 3i14 s LYS 77 Cb -0.13 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3i14 s LYS 77 CO 0.80 -0.58 0.64 1.03 0.10 0.00 0.00 175.35 177.34 3i14 s ARG 78 N -3.86 3.78 -0.09 1.78 1.81 -1.26 -4.33 118.95 116.77 3i14 s ARG 78 Ca 0.08 0.31 -0.30 0.00 -1.72 0.00 0.00 55.73 54.11 3i14 s ARG 78 Cb -0.01 -2.54 -0.02 0.00 -0.45 0.00 0.00 34.95 31.93 3i14 s ARG 78 CO -0.04 0.16 1.09 0.08 -0.68 0.00 0.00 175.30 175.91 3i14 s VAL 79 N -2.08 4.57 -0.09 3.52 1.01 -1.26 -0.47 120.40 125.59 3i14 s VAL 79 Ca 0.49 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.42 3i14 s VAL 79 Cb -0.11 -4.19 -0.13 0.00 0.00 0.00 0.00 36.38 31.95 3i14 s VAL 79 CO 0.26 -0.01 0.06 0.35 0.00 0.00 0.00 175.10 175.77 3i14 n THR 80 N 4.63 0.60 -3.78 3.92 -2.24 -0.08 -4.80 114.28 112.52 3i14 n THR 80 Ca 0.10 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 3i14 n THR 80 Cb 0.48 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 3i14 n THR 80 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i14 s ASP 81 N -4.11 -0.18 0.00 3.42 1.11 -1.23 -1.82 116.67 113.86 3i14 s ASP 81 Ca -0.05 0.17 0.03 0.00 0.18 0.00 0.00 52.55 52.88 3i14 s ASP 81 Cb 0.04 0.37 -0.01 0.00 1.07 0.00 0.00 42.92 44.39 3i14 s ASP 81 CO 0.42 -0.34 -0.09 -0.69 1.18 0.00 0.00 175.17 175.65 3i14 s VAL 82 N -0.94 0.72 -0.24 -1.27 1.01 0.37 -1.18 120.40 118.86 3i14 s VAL 82 Ca -0.10 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3i14 s VAL 82 Cb -0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3i14 s VAL 82 CO 0.03 0.14 0.05 -0.63 0.00 0.00 0.00 175.10 174.69 3i14 s ILE 83 N -0.34 4.17 -0.26 2.22 1.01 -0.03 -0.34 121.20 127.64 3i14 s ILE 83 Ca 0.02 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 3i14 s ILE 83 Cb -0.04 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3i14 s ILE 83 CO -0.00 0.36 0.39 -0.63 0.00 0.00 0.00 174.94 175.06 3i14 s ILE 84 N 1.56 5.17 -0.72 2.92 1.01 -0.31 -0.21 121.20 130.61 3i14 s ILE 84 Ca 0.06 0.63 0.24 0.00 0.00 0.00 0.00 60.65 61.58 3i14 s ILE 84 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3i14 s ILE 84 CO 0.03 0.16 1.19 0.35 0.00 0.00 0.00 174.94 176.67 3i14 n THR 85 N 4.99 0.18 -3.76 2.92 -2.24 -1.26 -4.66 114.28 110.46 3i14 n THR 85 Ca -0.08 -0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 3i14 n THR 85 Cb 0.51 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3i14 n THR 85 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3i14 s HIS 86 N -3.14 -0.10 -2.39 4.78 0.00 -1.26 -1.38 115.29 111.80 3i14 s HIS 86 Ca 0.06 -0.20 0.26 0.00 -3.00 0.00 0.00 55.06 52.18 3i14 s HIS 86 Cb 0.15 0.64 1.02 0.00 -4.00 0.00 0.00 32.58 30.39 3i14 s HIS 86 CO 0.76 -0.82 1.72 0.00 -1.00 0.00 0.00 174.74 175.40 3i14 n ALA 87 N -0.49 2.57 -1.54 -1.38 0.00 -1.26 -4.11 120.51 114.28 3i14 n ALA 87 Ca -0.06 -0.44 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 3i14 n ALA 87 Cb 0.61 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.93 3i14 n ALA 87 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i14 n HIS 88 N 0.12 0.10 -0.33 0.00 8.25 -1.26 -4.46 115.22 117.65 3i14 n HIS 88 Ca 0.18 0.44 0.20 0.00 -0.26 0.00 0.00 57.72 58.29 3i14 n HIS 88 Cb 0.33 -2.05 0.42 0.00 1.12 0.00 0.00 29.99 29.80 3i14 n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i14 h ALA 89 N 0.38 1.78 -0.00 -1.41 0.00 -1.95 0.58 119.26 118.64 3i14 h ALA 89 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i14 h ALA 89 Cb 1.38 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3i14 h ALA 89 CO 0.49 -0.47 -0.08 -0.25 0.00 0.00 0.00 179.25 178.94 3i14 n ASP 90 N -5.04 0.20 -0.08 0.00 8.00 -1.26 -1.07 116.55 117.30 3i14 n ASP 90 Ca 0.29 -0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.55 3i14 n ASP 90 Cb 0.86 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 3i14 n ASP 90 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i14 n ARG 91 N -1.25 0.81 0.00 -1.24 5.12 -0.01 -3.79 116.66 116.31 3i14 n ARG 91 Ca 0.12 0.07 0.14 0.00 -1.93 0.00 0.00 57.85 56.25 3i14 n ARG 91 Cb 0.29 -1.35 0.61 0.00 -1.16 0.00 0.00 32.46 30.85 3i14 n ARG 91 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3i14 n ILE 92 N -2.86 0.03 0.28 0.55 0.13 -0.05 -4.50 119.36 112.94 3i14 n ILE 92 Ca -0.28 -0.01 0.15 0.00 -1.10 0.00 0.00 62.75 61.50 3i14 n ILE 92 Cb 0.86 -0.50 0.82 0.00 -0.84 0.00 0.00 39.64 39.98 3i14 n ILE 92 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3i14 h GLY 93 N 4.98 0.00 -2.10 4.50 0.00 -1.25 -0.90 103.07 108.29 3i14 h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i14 h GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3i14 n GLY 94 N -0.77 1.69 0.37 4.60 0.00 -1.24 -3.33 105.19 106.52 3i14 n GLY 94 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3i14 n GLY 94 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i14 h ILE 95 N 2.83 1.17 -0.56 -0.61 6.09 -1.49 -1.84 117.51 123.11 3i14 h ILE 95 Ca 0.00 -0.43 0.04 0.00 -1.37 0.00 0.00 64.86 63.11 3i14 h ILE 95 Cb 0.92 -0.18 -0.05 0.00 0.47 0.00 0.00 36.82 37.99 3i14 h ILE 95 CO 0.10 0.23 0.30 0.50 -3.07 0.00 0.00 178.15 176.21 3i14 h LYS 96 N 1.25 0.56 -0.41 2.19 3.64 -1.84 -0.98 116.57 120.98 3i14 h LYS 96 Ca 0.39 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3i14 h LYS 96 Cb -0.00 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3i14 h LYS 96 CO -0.12 0.37 0.25 1.15 -2.27 0.00 0.00 179.45 178.83 3i14 h THR 97 N 0.58 1.13 -0.08 1.00 2.02 -1.71 -1.88 112.91 113.96 3i14 h THR 97 Ca 0.24 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3i14 h THR 97 Cb 0.13 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3i14 h THR 97 CO -0.15 0.13 0.02 -0.07 0.37 0.00 0.00 175.52 175.82 3i14 h LEU 98 N 0.54 0.01 -0.62 2.58 3.38 -0.77 -2.41 115.31 118.02 3i14 h LEU 98 Ca 0.15 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3i14 h LEU 98 Cb -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3i14 h LEU 98 CO -0.03 0.02 0.19 0.11 0.09 0.00 0.00 178.44 178.82 3i14 h LYS 99 N 0.05 0.97 0.00 1.13 1.79 -1.10 -0.71 116.57 118.71 3i14 h LYS 99 Ca 0.04 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.23 3i14 h LYS 99 Cb 0.03 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 3i14 h LYS 99 CO -0.05 0.86 -0.30 1.05 -1.08 0.00 0.00 179.45 179.94 3i14 h GLU 100 N 0.89 0.00 -0.01 3.15 4.11 -1.27 -2.63 114.58 118.83 3i14 h GLU 100 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3i14 h GLU 100 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3i14 h GLU 100 CO -0.00 0.30 -0.09 0.54 0.07 0.00 0.00 179.01 179.82 3i14 n ARG 101 N -3.53 1.27 -2.04 1.06 1.74 -0.91 -4.95 116.66 109.30 3i14 n ARG 101 Ca -0.00 -0.69 -0.07 0.00 -0.77 0.00 0.00 57.85 56.32 3i14 n ARG 101 Cb 0.45 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 3i14 n ARG 101 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i14 n GLY 102 N 1.23 0.17 3.65 -0.13 0.00 -0.97 -5.02 105.19 104.12 3i14 n GLY 102 Ca 0.17 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3i14 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i14 s ILE 103 N -2.32 5.13 0.02 -0.61 1.01 -0.31 -4.98 121.20 119.13 3i14 s ILE 103 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 3i14 s ILE 103 Cb 0.00 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 3i14 s ILE 103 CO 0.00 0.18 1.36 -0.54 0.00 0.00 0.00 174.94 175.95 3i14 s LYS 104 N 1.67 4.31 -0.48 2.79 1.02 -0.76 -4.36 119.74 123.94 3i14 s LYS 104 Ca 0.22 1.94 -0.06 0.00 0.02 0.00 0.00 55.97 58.09 3i14 s LYS 104 Cb -0.15 -3.50 0.12 0.00 -0.52 0.00 0.00 37.83 33.79 3i14 s LYS 104 CO 0.09 -0.51 0.31 0.00 -0.92 0.00 0.00 175.35 174.32 3i14 s ALA 105 N 2.04 3.34 0.23 5.17 0.00 -1.26 -0.48 121.76 130.80 3i14 s ALA 105 Ca 0.63 -2.66 -0.20 0.00 0.00 0.00 0.00 51.96 49.73 3i14 s ALA 105 Cb -0.32 -2.64 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 3i14 s ALA 105 CO 0.27 -1.90 0.74 -1.01 0.00 0.00 0.00 175.76 173.86 3i14 s HIS 106 N 1.03 3.64 0.17 0.00 3.76 0.54 -0.47 115.29 123.96 3i14 s HIS 106 Ca 0.09 1.40 -0.24 0.00 -0.15 0.00 0.00 55.06 56.16 3i14 s HIS 106 Cb -0.23 -2.63 0.06 0.00 1.11 0.00 0.00 32.58 30.88 3i14 s HIS 106 CO -0.03 0.32 0.79 -1.54 -0.85 0.00 0.00 174.74 173.43 3i14 s SER 107 N -1.68 -0.32 0.86 1.40 1.04 -1.26 -1.16 113.70 112.59 3i14 s SER 107 Ca 0.44 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.43 3i14 s SER 107 Cb -0.16 0.58 0.11 0.00 0.10 0.00 0.00 66.02 66.64 3i14 s SER 107 CO 0.21 -1.02 1.09 0.42 0.98 0.00 0.00 173.24 174.92 3i14 s THR 108 N -3.57 2.77 0.21 2.02 -4.23 -1.26 -0.85 115.64 110.73 3i14 s THR 108 Ca 0.08 0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 60.74 3i14 s THR 108 Cb -0.03 -2.82 0.16 0.00 1.34 0.00 0.00 72.50 71.15 3i14 s THR 108 CO -0.01 -0.33 1.88 0.00 -0.54 0.00 0.00 174.62 175.62 3i14 h ALA 109 N -1.40 0.96 -0.52 3.99 0.00 -1.69 -1.90 119.26 118.69 3i14 h ALA 109 Ca -0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3i14 h ALA 109 Cb 1.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3i14 h ALA 109 CO 0.56 0.39 0.29 1.25 0.00 0.00 0.00 179.25 181.74 3i14 h LEU 110 N 1.03 0.64 -0.73 0.00 5.85 -1.92 -1.13 115.31 119.05 3i14 h LEU 110 Ca 0.28 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3i14 h LEU 110 Cb -0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3i14 h LEU 110 CO -0.06 0.54 0.37 0.74 -0.34 0.00 0.00 178.44 179.69 3i14 h THR 111 N 0.69 1.23 -0.62 1.05 2.02 -1.83 -0.81 112.91 114.64 3i14 h THR 111 Ca 0.18 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 3i14 h THR 111 Cb 0.03 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 3i14 h THR 111 CO -0.03 0.27 0.16 0.00 0.37 0.00 0.00 175.52 176.29 3i14 h ALA 112 N 1.19 0.82 -0.02 6.16 0.00 -0.92 -0.58 119.26 125.91 3i14 h ALA 112 Ca 0.25 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3i14 h ALA 112 Cb 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i14 h ALA 112 CO -0.04 0.52 -0.86 1.05 0.00 0.00 0.00 179.25 179.93 3i14 h GLU 113 N 0.91 0.37 -0.77 0.00 4.11 -0.92 -1.43 114.58 116.84 3i14 h GLU 113 Ca 0.20 -0.36 0.05 0.00 0.07 0.00 0.00 59.36 59.31 3i14 h GLU 113 Cb 0.35 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3i14 h GLU 113 CO 0.00 1.03 0.48 -0.07 0.07 0.00 0.00 179.01 180.52 3i14 h LEU 114 N 0.22 0.75 -0.35 3.06 3.38 -1.01 0.25 115.31 121.61 3i14 h LEU 114 Ca -0.06 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3i14 h LEU 114 Cb 1.48 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 3i14 h LEU 114 CO 0.15 0.50 0.04 0.00 0.09 0.00 0.00 178.44 179.21 3i14 h ALA 115 N 1.36 0.35 -0.29 1.53 0.00 -0.86 -1.75 119.26 119.59 3i14 h ALA 115 Ca 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3i14 h ALA 115 Cb 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i14 h ALA 115 CO -0.15 -0.36 0.12 -0.22 0.00 0.00 0.00 179.25 178.64 3i14 h LYS 116 N 0.15 0.43 -0.95 0.00 3.64 -0.31 -0.60 116.57 118.93 3i14 h LYS 116 Ca 0.17 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 3i14 h LYS 116 Cb 0.21 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 3i14 h LYS 116 CO -0.25 0.44 0.59 -0.22 -2.27 0.00 0.00 179.45 177.73 3i14 h LYS 117 N 0.33 0.95 -0.22 1.90 3.64 -0.25 -1.40 116.57 121.51 3i14 h LYS 117 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i14 h LYS 117 Cb 0.16 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3i14 h LYS 117 CO -0.01 0.63 0.00 0.09 -2.27 0.00 0.00 179.45 177.89 3i14 n ASN 118 N -4.63 1.21 0.00 4.20 5.03 -0.68 -4.92 115.26 115.47 3i14 n ASN 118 Ca 0.16 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.64 3i14 n ASN 118 Cb 0.29 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 3i14 n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i14 n GLY 119 N 0.88 0.52 3.90 7.41 0.00 -0.53 -5.05 105.19 112.31 3i14 n GLY 119 Ca 0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3i14 n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i14 s TYR 120 N -2.00 3.47 0.65 1.61 1.51 -0.28 -5.00 117.35 117.31 3i14 s TYR 120 Ca 0.00 0.74 -0.17 0.00 -1.01 0.00 0.00 57.07 56.63 3i14 s TYR 120 Cb 0.00 -2.19 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 3i14 s TYR 120 CO 0.00 0.10 1.22 -1.21 -1.11 0.00 0.00 175.55 174.55 3i14 s GLU 121 N -3.63 2.64 -0.11 -0.62 2.02 -1.26 -3.86 118.70 113.87 3i14 s GLU 121 Ca 0.46 1.83 -0.15 0.00 0.02 0.00 0.00 54.97 57.13 3i14 s GLU 121 Cb -0.11 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.19 3i14 s GLU 121 CO 0.30 -1.47 0.36 -1.21 0.02 0.00 0.00 175.26 173.26 3i14 s GLU 122 N -3.55 4.15 1.09 1.61 2.02 -1.26 -4.76 118.70 118.00 3i14 s GLU 122 Ca 0.77 0.25 -0.18 0.00 0.02 0.00 0.00 54.97 55.82 3i14 s GLU 122 Cb -0.31 -3.37 0.26 0.00 0.10 0.00 0.00 34.13 30.82 3i14 s GLU 122 CO 0.38 0.36 1.13 -0.35 0.02 0.00 0.00 175.26 176.80 3i14 n PRO 123 N 3.10 -2.39 0.16 0.39 -0.04 -1.26 -4.97 135.00 129.99 3i14 n PRO 123 Ca -0.12 -1.79 0.03 0.00 -0.04 0.00 0.00 63.50 61.59 3i14 n PRO 123 Cb 0.52 -1.47 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 3i14 n PRO 123 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i14 h LEU 124 N 0.00 0.00 2.13 1.53 3.38 -1.06 -3.46 115.31 117.83 3i14 h LEU 124 Ca -0.40 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.26 3i14 h LEU 124 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3i14 h LEU 124 CO 0.27 0.48 -0.39 0.61 0.09 0.00 0.00 178.44 179.50 3i14 n GLY 125 N 0.53 -0.16 0.08 0.83 0.00 -1.13 -4.91 105.19 100.43 3i14 n GLY 125 Ca 0.00 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.90 3i14 n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i14 n ASP 126 N -0.94 0.68 -4.75 1.61 5.75 -0.03 -3.71 116.55 115.17 3i14 n ASP 126 Ca -0.18 0.17 -0.40 0.00 -0.01 0.00 0.00 54.79 54.36 3i14 n ASP 126 Cb 0.63 0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 41.34 3i14 n ASP 126 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3i14 s LEU 127 N -4.87 4.54 0.00 -2.12 1.43 -0.13 -4.99 118.68 112.54 3i14 s LEU 127 Ca 0.00 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3i14 s LEU 127 Cb 0.11 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.89 3i14 s LEU 127 CO 0.80 0.07 0.00 0.00 0.23 0.00 0.00 176.35 177.45 3i14 n GLN 128 N 2.22 2.95 -0.08 1.70 1.13 -1.26 -4.01 117.38 120.03 3i14 n GLN 128 Ca -0.02 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.94 3i14 n GLN 128 Cb 0.49 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.80 3i14 n GLN 128 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i14 h THR 129 N 0.00 1.21 -3.14 5.09 2.02 -1.92 -3.41 112.91 112.75 3i14 h THR 129 Ca 0.00 -0.69 -0.58 0.00 0.77 0.00 0.00 66.41 65.91 3i14 h THR 129 Cb 0.00 1.17 -0.36 0.00 -1.74 0.00 0.00 68.15 67.22 3i14 h THR 129 CO 0.00 0.22 -0.82 -0.69 0.37 0.00 0.00 175.52 174.60 3i14 s VAL 130 N -5.30 1.39 -0.06 3.16 1.01 -1.26 -0.70 120.40 118.64 3i14 s VAL 130 Ca -0.14 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3i14 s VAL 130 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3i14 s VAL 130 CO 0.73 0.43 -0.17 -0.89 0.00 0.00 0.00 175.10 175.20 3i14 s THR 131 N 1.56 1.43 -0.22 3.92 2.01 -0.65 -4.99 115.64 118.71 3i14 s THR 131 Ca 0.05 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 3i14 s THR 131 Cb -0.13 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 3i14 s THR 131 CO -0.10 0.42 -0.02 0.20 -0.69 0.00 0.00 174.62 174.43 3i14 s ASN 132 N 0.31 4.48 0.13 3.53 0.01 -1.26 -0.66 114.94 121.48 3i14 s ASN 132 Ca -0.10 -0.34 0.08 0.00 -0.71 0.00 0.00 52.86 51.79 3i14 s ASN 132 Cb -0.14 -1.78 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 3i14 s ASN 132 CO 0.04 -0.01 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.72 3i14 s LEU 133 N 1.44 2.86 -0.06 0.60 1.43 0.33 -5.00 118.68 120.29 3i14 s LEU 133 Ca 0.05 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3i14 s LEU 133 Cb -0.14 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.45 3i14 s LEU 133 CO -0.01 0.16 -0.05 -0.75 0.23 0.00 0.00 176.35 175.93 3i14 s LYS 134 N -2.34 0.93 -0.32 1.70 2.20 -1.26 -1.33 119.74 119.31 3i14 s LYS 134 Ca 0.21 -0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 3i14 s LYS 134 Cb -0.10 -0.98 0.10 0.00 -1.51 0.00 0.00 37.83 35.34 3i14 s LYS 134 CO 0.12 -0.13 0.05 -0.06 -0.36 0.00 0.00 175.35 174.98 3i14 s PHE 135 N 1.15 3.18 0.00 4.03 0.08 -0.03 -4.96 117.98 121.43 3i14 s PHE 135 Ca -0.07 -2.61 0.00 0.00 0.12 0.00 0.00 56.93 54.37 3i14 s PHE 135 Cb -0.14 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 3i14 s PHE 135 CO -0.01 -0.92 0.00 0.41 -0.10 0.00 0.00 175.22 174.60 3i14 n GLY 136 N 4.42 3.80 0.34 4.36 0.00 -1.26 -1.23 105.19 115.62 3i14 n GLY 136 Ca 0.01 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3i14 n GLY 136 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i14 n ASN 137 N 8.43 1.47 -4.66 1.61 2.85 -1.26 -4.92 115.26 118.78 3i14 n ASN 137 Ca 0.00 -1.17 -0.42 0.00 -0.11 0.00 0.00 54.58 52.88 3i14 n ASN 137 Cb 0.00 0.35 -0.03 0.00 1.24 0.00 0.00 39.78 41.34 3i14 n ASN 137 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3i14 s MET 138 N -2.54 4.27 -0.10 1.20 1.75 -0.36 -5.02 119.30 118.49 3i14 s MET 138 Ca 0.20 1.23 -0.12 0.00 -1.25 0.00 0.00 55.69 55.75 3i14 s MET 138 Cb 0.18 -3.62 -0.05 0.00 2.84 0.00 0.00 34.83 34.19 3i14 s MET 138 CO 0.57 -0.52 0.27 0.15 -0.65 0.00 0.00 175.02 174.85 3i14 s LYS 139 N 2.79 3.91 -0.03 4.11 1.02 -1.26 -0.85 119.74 129.43 3i14 s LYS 139 Ca 0.42 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.52 3i14 s LYS 139 Cb -0.16 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3i14 s LYS 139 CO 0.09 0.53 -0.04 0.08 -0.92 0.00 0.00 175.35 175.09 3i14 s VAL 140 N -0.43 0.49 -0.09 3.17 1.01 -0.44 -4.23 120.40 119.88 3i14 s VAL 140 Ca 0.18 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3i14 s VAL 140 Cb -0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3i14 s VAL 140 CO 0.06 0.20 -0.18 -0.70 0.00 0.00 0.00 175.10 174.48 3i14 s GLU 141 N 0.73 2.94 -0.04 2.72 2.12 0.28 -0.51 118.70 126.93 3i14 s GLU 141 Ca -0.09 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.46 3i14 s GLU 141 Cb -0.12 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 3i14 s GLU 141 CO 0.00 0.34 0.03 0.95 -0.54 0.00 0.00 175.26 176.04 3i14 s THR 142 N -0.01 4.43 -0.03 -1.70 -4.23 0.17 -0.29 115.64 113.98 3i14 s THR 142 Ca -0.06 -0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.07 3i14 s THR 142 Cb -0.15 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.78 3i14 s THR 142 CO 0.05 0.47 0.04 0.12 -0.54 0.00 0.00 174.62 174.76 3i14 s PHE 143 N -1.03 0.09 -0.43 3.99 5.36 -0.34 -1.63 117.98 123.99 3i14 s PHE 143 Ca 0.18 0.16 -0.20 0.00 -0.96 0.00 0.00 56.93 56.11 3i14 s PHE 143 Cb -0.12 -0.39 0.02 0.00 -0.34 0.00 0.00 43.02 42.20 3i14 s PHE 143 CO 0.08 -0.15 0.59 -0.47 -1.46 0.00 0.00 175.22 173.81 3i14 s TYR 144 N 1.60 3.09 -1.84 10.12 5.04 0.13 -1.07 117.35 134.43 3i14 s TYR 144 Ca -0.02 -0.13 0.26 0.00 -2.44 0.00 0.00 57.07 54.74 3i14 s TYR 144 Cb -0.13 -3.23 0.72 0.00 0.35 0.00 0.00 41.96 39.68 3i14 s TYR 144 CO -0.03 -0.82 1.54 -0.35 -1.34 0.00 0.00 175.55 174.55 3i14 n PRO 145 N 6.09 0.93 0.00 4.97 -0.04 -1.26 -4.92 135.00 140.77 3i14 n PRO 145 Ca -0.03 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 3i14 n PRO 145 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3i14 n PRO 145 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i14 n GLY 146 N 1.33 0.90 3.78 0.55 0.00 -1.26 -4.42 105.19 106.07 3i14 n GLY 146 Ca 0.12 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 3i14 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i14 s LYS 147 N -1.08 3.67 0.00 1.61 1.02 -1.26 -4.65 119.74 119.05 3i14 s LYS 147 Ca 0.00 1.60 0.00 0.00 0.02 0.00 0.00 55.97 57.59 3i14 s LYS 147 Cb 0.00 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 3i14 s LYS 147 CO 0.00 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 3i14 n GLY 148 N 0.20 -0.52 0.37 -3.33 0.00 -1.26 -2.94 105.19 97.70 3i14 n GLY 148 Ca 0.09 0.56 0.04 0.00 0.00 0.00 0.00 46.02 46.71 3i14 n GLY 148 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i14 h HIS 149 N 0.00 1.14 -4.63 1.61 -0.00 -1.88 0.35 115.15 111.74 3i14 h HIS 149 Ca 0.00 0.03 -0.29 0.00 -0.00 0.00 0.00 60.37 60.11 3i14 h HIS 149 Cb 0.00 -0.37 -0.15 0.00 -0.00 0.00 0.00 27.41 26.89 3i14 h HIS 149 CO 0.00 0.56 -0.59 0.95 -0.00 0.00 0.00 177.93 178.85 3i14 s THR 150 N -5.97 0.01 0.32 6.26 -4.23 -1.26 -3.14 115.64 107.63 3i14 s THR 150 Ca -0.12 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.68 3i14 s THR 150 Cb 0.21 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.86 3i14 s THR 150 CO 0.81 0.00 2.03 1.05 -0.54 0.00 0.00 174.62 177.96 3i14 h GLU 151 N 2.51 0.00 -0.01 3.99 4.11 -1.85 -3.30 114.58 120.04 3i14 h GLU 151 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 3i14 h GLU 151 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3i14 h GLU 151 CO 0.50 0.11 -0.23 -0.40 0.07 0.00 0.00 179.01 179.06 3i14 n ASP 152 N -3.42 1.17 -4.64 3.06 5.75 -1.26 -4.40 116.55 112.81 3i14 n ASP 152 Ca -0.01 -1.09 -0.46 0.00 -0.01 0.00 0.00 54.79 53.22 3i14 n ASP 152 Cb 0.28 0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.84 3i14 n ASP 152 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3i14 n ASN 153 N -0.31 2.31 -4.59 -1.12 2.04 -1.24 -4.79 115.26 107.56 3i14 n ASN 153 Ca 0.04 1.13 -0.24 0.00 -0.44 0.00 0.00 54.58 55.07 3i14 n ASN 153 Cb 0.21 -1.35 -0.09 0.00 -2.53 0.00 0.00 39.78 36.02 3i14 n ASN 153 CO 0.00 0.00 0.00 0.27 -0.44 0.00 0.00 177.26 177.09 3i14 s ILE 154 N 0.04 2.79 0.30 1.53 -4.36 -0.48 -4.36 121.20 116.67 3i14 s ILE 154 Ca 0.72 -2.09 0.09 0.00 -0.26 0.00 0.00 60.65 59.11 3i14 s ILE 154 Cb -0.73 -2.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.27 3i14 s ILE 154 CO 0.49 -0.30 0.03 0.68 0.24 0.00 0.00 174.94 176.07 3i14 s VAL 155 N -2.47 3.09 -0.03 8.37 -7.23 -0.23 -4.73 120.40 117.16 3i14 s VAL 155 Ca 0.32 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3i14 s VAL 155 Cb -0.03 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 34.07 3i14 s VAL 155 CO 0.18 -0.28 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.87 3i14 s VAL 156 N -2.41 1.06 -0.05 1.32 1.01 -0.77 -1.20 120.40 119.37 3i14 s VAL 156 Ca 0.34 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3i14 s VAL 156 Cb -0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3i14 s VAL 156 CO 0.20 0.32 -0.19 0.86 0.00 0.00 0.00 175.10 176.29 3i14 s TRP 157 N 0.14 1.86 -0.56 5.22 -0.11 0.60 0.00 118.94 126.09 3i14 s TRP 157 Ca -0.04 -0.55 -0.05 0.00 1.22 0.00 0.00 56.10 56.69 3i14 s TRP 157 Cb -0.10 -1.25 0.15 0.00 -1.50 0.00 0.00 33.47 30.77 3i14 s TRP 157 CO 0.01 -0.18 0.39 -0.51 -4.62 0.00 0.00 176.95 172.05 3i14 s LEU 158 N 0.01 5.49 0.59 5.86 1.43 -0.34 -0.56 118.68 131.16 3i14 s LEU 158 Ca -0.04 -2.44 0.36 0.00 -1.03 0.00 0.00 54.13 50.98 3i14 s LEU 158 Cb -0.12 -1.92 1.81 0.00 0.03 0.00 0.00 46.19 46.00 3i14 s LEU 158 CO 0.03 -0.50 2.17 1.55 0.23 0.00 0.00 176.35 179.82 3i14 h PRO 159 N 7.66 0.00 0.00 1.29 0.13 -1.87 -0.33 132.00 138.88 3i14 h PRO 159 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3i14 h PRO 159 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3i14 h PRO 159 CO 0.75 0.04 0.00 1.04 -0.23 0.00 0.00 178.00 179.59 3i14 n GLN 160 N -3.28 0.06 0.00 0.86 6.02 -1.26 -3.89 117.38 115.89 3i14 n GLN 160 Ca -0.02 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3i14 n GLN 160 Cb 0.19 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3i14 n GLN 160 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3i14 n TYR 161 N -1.69 0.00 -3.98 1.08 4.01 -0.81 -5.02 117.16 110.75 3i14 n TYR 161 Ca 0.05 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.52 3i14 n TYR 161 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 3i14 n TYR 161 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i14 n ASN 162 N -0.48 -0.69 -4.54 7.72 4.13 -0.20 -4.56 115.26 116.64 3i14 n ASN 162 Ca 0.00 -1.00 -0.34 0.00 1.68 0.00 0.00 54.58 54.91 3i14 n ASN 162 Cb 0.00 -3.05 -0.11 0.00 -1.54 0.00 0.00 39.78 35.08 3i14 n ASN 162 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i14 s ILE 163 N -3.88 4.29 -0.18 2.41 1.01 -1.17 -0.48 121.20 123.19 3i14 s ILE 163 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 3i14 s ILE 163 Cb -0.05 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3i14 s ILE 163 CO 0.89 0.45 -0.01 -0.22 0.00 0.00 0.00 174.94 176.05 3i14 s LEU 164 N 0.60 3.29 -0.51 2.97 2.96 -0.16 -1.20 118.68 126.64 3i14 s LEU 164 Ca 0.00 -0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 53.57 3i14 s LEU 164 Cb -0.14 -1.82 0.06 0.00 0.50 0.00 0.00 46.19 44.80 3i14 s LEU 164 CO 0.02 0.11 0.61 -0.69 -1.32 0.00 0.00 176.35 175.08 3i14 s VAL 165 N 0.70 4.90 0.09 1.68 1.01 0.10 -0.36 120.40 128.53 3i14 s VAL 165 Ca -0.01 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.50 3i14 s VAL 165 Cb -0.14 -4.29 -0.17 0.00 0.00 0.00 0.00 36.38 31.77 3i14 s VAL 165 CO 0.02 -0.80 1.31 1.23 0.00 0.00 0.00 175.10 176.86 3i14 h GLY 166 N 9.64 0.00 0.00 4.51 0.00 -1.10 -2.04 103.07 114.07 3i14 h GLY 166 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3i14 h GLY 166 CO 0.96 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.11 3i14 n GLY 167 N 1.29 1.02 0.19 4.60 0.00 -1.21 -3.19 105.19 107.88 3i14 n GLY 167 Ca 0.00 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.50 3i14 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i14 h LEU 169 N 0.92 0.00 -8.35 0.00 5.85 -1.91 -3.43 115.31 108.39 3i14 h LEU 169 Ca 0.00 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.06 3i14 h LEU 169 Cb 0.39 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.11 3i14 h LEU 169 CO 0.00 0.01 -0.79 -0.69 -0.34 0.00 0.00 178.44 176.63 3i14 s VAL 170 N -4.92 2.75 0.15 1.05 1.01 -0.60 -4.84 120.40 114.99 3i14 s VAL 170 Ca -0.05 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 3i14 s VAL 170 Cb 0.16 -2.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 3i14 s VAL 170 CO 0.64 0.50 0.51 -0.54 0.00 0.00 0.00 175.10 176.21 3i14 s LYS 171 N 1.00 3.89 0.70 2.72 -0.14 -1.26 -3.34 119.74 123.31 3i14 s LYS 171 Ca -0.02 0.37 -0.11 0.00 -1.36 0.00 0.00 55.97 54.86 3i14 s LYS 171 Cb -0.15 -2.89 0.01 0.00 -1.68 0.00 0.00 37.83 33.12 3i14 s LYS 171 CO -0.02 0.47 1.07 -1.54 -0.76 0.00 0.00 175.35 174.56 3i14 s SER 172 N -1.86 5.36 0.30 2.83 1.04 -1.26 -4.69 113.70 115.42 3i14 s SER 172 Ca 0.39 1.46 0.05 0.00 0.48 0.00 0.00 55.95 58.32 3i14 s SER 172 Cb -0.14 -2.33 0.72 0.00 0.10 0.00 0.00 66.02 64.37 3i14 s SER 172 CO 0.19 -1.44 1.77 0.74 0.98 0.00 0.00 173.24 175.48 3i14 h THR 173 N -0.72 0.69 0.00 2.02 2.02 -1.93 -1.25 112.91 113.75 3i14 h THR 173 Ca -0.45 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3i14 h THR 173 Cb 1.22 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3i14 h THR 173 CO 0.59 0.13 -0.07 0.77 0.37 0.00 0.00 175.52 177.31 3i14 h SER 174 N 0.72 0.00 -2.92 4.18 4.64 -1.96 -3.42 113.55 114.79 3i14 h SER 174 Ca 0.57 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.33 3i14 h SER 174 Cb 0.89 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 3i14 h SER 174 CO -0.39 0.07 0.87 0.00 -0.87 0.00 0.00 176.83 176.50 3i14 s ALA 175 N -3.66 3.61 -1.71 5.18 0.00 -0.47 -4.90 121.76 119.81 3i14 s ALA 175 Ca 0.01 0.57 0.16 0.00 0.00 0.00 0.00 51.96 52.70 3i14 s ALA 175 Cb 0.09 -3.61 0.25 0.00 0.00 0.00 0.00 23.12 19.86 3i14 s ALA 175 CO 0.58 -1.08 1.15 1.63 0.00 0.00 0.00 175.76 178.03 3i14 n LYS 176 N 6.24 1.85 -3.99 0.00 4.76 -1.26 -4.84 118.16 120.92 3i14 n LYS 176 Ca 0.13 -1.78 -0.13 0.00 -2.87 0.00 0.00 58.31 53.67 3i14 n LYS 176 Cb 0.45 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.29 3i14 n LYS 176 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 3i14 s ASP 177 N -1.19 0.65 0.00 4.39 1.47 -1.26 -5.05 116.67 115.67 3i14 s ASP 177 Ca 0.24 -1.40 0.29 0.00 1.18 0.00 0.00 52.55 52.87 3i14 s ASP 177 Cb 0.15 0.74 1.29 0.00 -0.34 0.00 0.00 42.92 44.76 3i14 s ASP 177 CO 0.21 -1.46 1.95 0.18 0.68 0.00 0.00 175.17 176.72 3i14 n LEU 178 N -0.57 0.00 0.00 2.11 4.77 -1.26 -5.02 117.00 117.03 3i14 n LEU 178 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3i14 n LEU 178 Cb 0.61 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3i14 n LEU 178 CO 0.29 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3i14 n GLY 179 N 1.39 0.39 3.58 -0.72 0.00 -1.26 -4.68 105.19 103.89 3i14 n GLY 179 Ca 0.09 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 3i14 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i14 s ASN 180 N -4.00 5.64 -0.01 1.61 2.47 -1.26 -4.86 114.94 114.53 3i14 s ASN 180 Ca 0.00 0.91 0.23 0.00 0.42 0.00 0.00 52.86 54.41 3i14 s ASN 180 Cb 0.00 -2.53 0.67 0.00 -1.45 0.00 0.00 41.25 37.94 3i14 s ASN 180 CO 0.00 -1.98 1.56 1.33 -3.72 0.00 0.00 177.10 174.29 3i14 n VAL 181 N 7.34 1.07 0.23 -5.21 0.24 -1.26 -4.65 118.33 116.09 3i14 n VAL 181 Ca 0.22 -1.02 0.06 0.00 -2.04 0.00 0.00 64.34 61.56 3i14 n VAL 181 Cb 0.49 0.47 0.53 0.00 -1.47 0.00 0.00 33.84 33.86 3i14 n VAL 181 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i14 h ALA 182 N 4.35 1.73 -0.27 2.33 0.00 -1.91 -2.22 119.26 123.27 3i14 h ALA 182 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i14 h ALA 182 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3i14 h ALA 182 CO 0.02 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 3i14 n ASP 183 N -4.33 3.07 -4.95 0.00 8.00 -1.26 -5.03 116.55 112.05 3i14 n ASP 183 Ca -0.03 -2.33 -0.24 0.00 0.71 0.00 0.00 54.79 52.91 3i14 n ASP 183 Cb 0.22 -0.30 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3i14 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i14 s ALA 184 N -1.59 3.67 -0.51 2.24 0.00 -0.84 -3.87 121.76 120.86 3i14 s ALA 184 Ca 0.26 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.25 3i14 s ALA 184 Cb 0.18 -2.24 0.15 0.00 0.00 0.00 0.00 23.12 21.21 3i14 s ALA 184 CO 0.12 -0.50 0.32 0.71 0.00 0.00 0.00 175.76 176.40 3i14 s TYR 185 N -2.67 2.33 -0.44 0.00 1.51 0.11 -4.98 117.35 113.22 3i14 s TYR 185 Ca 0.50 -2.70 0.26 0.00 -1.01 0.00 0.00 57.07 54.12 3i14 s TYR 185 Cb -0.10 -2.01 0.83 0.00 -0.11 0.00 0.00 41.96 40.57 3i14 s TYR 185 CO 0.40 -0.73 1.76 -0.39 -1.11 0.00 0.00 175.55 175.48 3i14 h VAL 186 N 4.95 0.00 0.11 0.71 -1.51 -1.94 -0.71 116.25 117.85 3i14 h VAL 186 Ca 0.07 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 3i14 h VAL 186 Cb 0.88 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3i14 h VAL 186 CO 0.54 0.00 -0.05 0.78 -1.23 0.00 0.00 177.57 177.61 3i14 h ASN 187 N 0.00 -0.12 -0.17 4.19 4.21 -1.95 -3.35 115.58 118.39 3i14 h ASN 187 Ca 0.00 -0.40 0.05 0.00 1.21 0.00 0.00 56.30 57.16 3i14 h ASN 187 Cb 0.69 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 3i14 h ASN 187 CO 0.00 0.51 0.12 -0.33 -1.29 0.00 0.00 177.43 176.44 3i14 h GLU 188 N -0.93 0.00 -0.94 0.81 3.07 -1.74 -3.03 114.58 111.81 3i14 h GLU 188 Ca -0.01 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.95 3i14 h GLU 188 Cb 0.51 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.34 3i14 h GLU 188 CO 0.02 0.00 0.58 2.35 -1.40 0.00 0.00 179.01 180.56 3i14 h TRP 189 N 0.00 1.05 -0.43 4.33 2.91 -1.02 0.33 115.95 123.12 3i14 h TRP 189 Ca 0.08 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 3i14 h TRP 189 Cb 0.32 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.62 3i14 h TRP 189 CO 0.00 0.44 0.04 0.77 -1.03 0.00 0.00 178.44 178.66 3i14 h SER 190 N 0.95 0.71 -0.89 2.65 0.02 -1.74 -0.94 113.55 114.31 3i14 h SER 190 Ca 0.45 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3i14 h SER 190 Cb 0.39 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3i14 h SER 190 CO -0.25 0.81 0.59 0.74 -1.14 0.00 0.00 176.83 177.59 3i14 h THR 191 N 0.59 1.21 -0.49 -2.27 2.02 -1.36 -0.08 112.91 112.52 3i14 h THR 191 Ca 0.13 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3i14 h THR 191 Cb 0.42 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3i14 h THR 191 CO 0.01 0.22 0.26 0.28 0.37 0.00 0.00 175.52 176.66 3i14 h SER 192 N 1.18 0.62 -0.61 4.18 0.02 -0.68 0.10 113.55 118.35 3i14 h SER 192 Ca 0.33 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3i14 h SER 192 Cb -0.10 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3i14 h SER 192 CO -0.08 0.54 0.21 0.40 -1.14 0.00 0.00 176.83 176.75 3i14 h ILE 193 N 0.65 1.24 -0.95 3.27 2.04 -0.84 -2.04 117.51 120.89 3i14 h ILE 193 Ca 0.17 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 65.35 3i14 h ILE 193 Cb 0.06 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 3i14 h ILE 193 CO -0.03 0.31 0.61 -0.33 0.00 0.00 0.00 178.15 178.71 3i14 h GLU 194 N 0.87 0.89 -0.89 2.37 4.39 -0.68 -0.49 114.58 121.05 3i14 h GLU 194 Ca 0.20 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 3i14 h GLU 194 Cb 0.26 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3i14 h GLU 194 CO -0.01 0.59 0.47 -0.91 -1.16 0.00 0.00 179.01 177.99 3i14 h ASN 195 N 0.92 1.13 -0.06 1.42 2.35 -0.16 -0.17 115.58 121.00 3i14 h ASN 195 Ca 0.46 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 3i14 h ASN 195 Cb 0.49 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3i14 h ASN 195 CO -0.22 0.92 0.01 0.58 -1.65 0.00 0.00 177.43 177.06 3i14 h VAL 196 N 1.25 1.23 -0.83 2.81 2.07 -0.66 -2.07 116.25 120.04 3i14 h VAL 196 Ca 0.31 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 67.25 3i14 h VAL 196 Cb 0.06 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3i14 h VAL 196 CO -0.05 0.19 0.54 -0.07 0.02 0.00 0.00 177.57 178.21 3i14 h LEU 197 N -0.15 0.66 -0.26 2.57 3.38 -0.83 -0.93 115.31 119.74 3i14 h LEU 197 Ca 0.02 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 3i14 h LEU 197 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i14 h LEU 197 CO 0.00 0.37 -0.72 0.50 0.09 0.00 0.00 178.44 178.69 3i14 h LYS 198 N 0.72 0.70 -0.14 1.13 3.64 -0.93 -3.28 116.57 118.41 3i14 h LYS 198 Ca 0.40 -0.54 -0.20 0.00 -1.27 0.00 0.00 60.65 59.03 3i14 h LYS 198 Cb 0.55 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3i14 h LYS 198 CO -0.16 1.16 -0.73 -0.09 -2.27 0.00 0.00 179.45 177.36 3i14 h ARG 199 N 0.49 0.66 -3.20 1.90 2.43 -0.99 -3.40 114.38 112.27 3i14 h ARG 199 Ca -0.03 -0.52 -0.63 0.00 -0.81 0.00 0.00 59.98 57.99 3i14 h ARG 199 Cb 1.33 0.10 -0.41 0.00 -0.42 0.00 0.00 29.97 30.57 3i14 h ARG 199 CO 0.14 1.14 -0.64 0.71 -1.51 0.00 0.00 179.97 179.82 3i14 s TYR 200 N -3.76 3.09 -0.75 2.20 2.02 -0.39 -4.95 117.35 114.81 3i14 s TYR 200 Ca -0.09 -3.11 0.26 0.00 -0.37 0.00 0.00 57.07 53.76 3i14 s TYR 200 Cb 0.10 -2.60 0.65 0.00 -0.40 0.00 0.00 41.96 39.71 3i14 s TYR 200 CO 0.88 -0.68 1.59 0.54 -1.57 0.00 0.00 175.55 176.30 3i14 n ARG 201 N 2.77 0.22 -3.70 -0.62 5.12 -1.25 -4.55 116.66 114.66 3i14 n ARG 201 Ca 0.11 0.12 -0.30 0.00 -1.93 0.00 0.00 57.85 55.86 3i14 n ARG 201 Cb 0.34 -1.70 -0.14 0.00 -1.16 0.00 0.00 32.46 29.80 3i14 n ARG 201 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3i14 s ASN 202 N -4.11 3.75 -0.18 0.55 2.47 -1.26 -5.11 114.94 111.05 3i14 s ASN 202 Ca 0.09 -2.14 -0.03 0.00 0.42 0.00 0.00 52.86 51.20 3i14 s ASN 202 Cb 0.14 -0.90 -0.02 0.00 -1.45 0.00 0.00 41.25 39.02 3i14 s ASN 202 CO 0.65 -0.34 -0.05 -0.63 -3.72 0.00 0.00 177.10 173.01 3i14 s ILE 203 N 0.99 3.60 -0.06 -5.21 1.01 -1.26 -4.85 121.20 115.43 3i14 s ILE 203 Ca 0.14 -0.44 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 3i14 s ILE 203 Cb -0.21 -2.60 -0.31 0.00 0.01 0.00 0.00 42.46 39.35 3i14 s ILE 203 CO -0.11 0.46 0.87 0.78 0.00 0.00 0.00 174.94 176.95 3i14 h ASN 204 N 7.27 0.43 -4.53 3.58 2.35 -1.02 -3.42 115.58 120.23 3i14 h ASN 204 Ca -0.34 -0.95 -0.16 0.00 -0.55 0.00 0.00 56.30 54.30 3i14 h ASN 204 Cb 1.18 -0.14 -0.23 0.00 0.05 0.00 0.00 38.32 39.19 3i14 h ASN 204 CO 0.60 1.37 -0.52 0.00 -1.65 0.00 0.00 177.43 177.24 3i14 s ALA 205 N -2.41 -0.33 -0.12 -0.83 0.00 -1.20 -4.79 121.76 112.07 3i14 s ALA 205 Ca -0.14 0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.91 3i14 s ALA 205 Cb 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3i14 s ALA 205 CO 0.82 -0.16 -0.22 0.08 0.00 0.00 0.00 175.76 176.28 3i14 s VAL 206 N -0.84 1.98 -0.36 0.00 1.01 0.11 -0.98 120.40 121.32 3i14 s VAL 206 Ca -0.09 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 3i14 s VAL 206 Cb -0.05 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3i14 s VAL 206 CO 0.01 0.54 0.25 -0.69 0.00 0.00 0.00 175.10 175.21 3i14 s VAL 207 N 0.63 5.20 0.83 2.92 1.01 0.51 -1.05 120.40 130.47 3i14 s VAL 207 Ca -0.12 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3i14 s VAL 207 Cb -0.16 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.55 3i14 s VAL 207 CO 0.03 -0.12 1.15 -2.16 0.00 0.00 0.00 175.10 173.99 3i14 s PRO 208 N 1.69 1.77 0.29 2.72 0.04 -1.26 -0.54 135.00 139.72 3i14 s PRO 208 Ca 0.05 0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.35 3i14 s PRO 208 Cb -0.18 -1.91 0.43 0.00 0.04 0.00 0.00 34.50 32.87 3i14 s PRO 208 CO 0.10 -1.76 1.91 0.78 0.04 0.00 0.00 177.00 178.07 3i14 h GLY 209 N -1.18 1.05 -6.00 0.56 0.00 -1.12 -3.42 103.07 92.96 3i14 h GLY 209 Ca -0.48 -0.48 -0.28 0.00 0.00 0.00 0.00 47.33 46.10 3i14 h GLY 209 CO 0.63 0.46 -0.73 0.30 0.00 0.00 0.00 176.54 177.20 3i14 s HIS 210 N -5.62 0.11 0.00 5.60 3.76 -1.26 -0.81 115.29 117.06 3i14 s HIS 210 Ca -0.11 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 3i14 s HIS 210 Cb 0.17 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.68 3i14 s HIS 210 CO 0.80 -0.05 0.00 0.41 -0.85 0.00 0.00 174.74 175.04 3i14 n GLY 211 N 3.61 -1.49 3.78 -2.22 0.00 -1.26 -3.99 105.19 103.63 3i14 n GLY 211 Ca -0.20 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.29 3i14 n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i14 s GLU 212 N -0.35 4.03 0.37 1.61 0.41 -1.26 -4.71 118.70 118.81 3i14 s GLU 212 Ca 0.00 1.50 -0.28 0.00 -0.41 0.00 0.00 54.97 55.78 3i14 s GLU 212 Cb 0.00 -2.42 -0.11 0.00 -1.78 0.00 0.00 34.13 29.82 3i14 s GLU 212 CO 0.00 -0.25 1.51 0.08 -0.49 0.00 0.00 175.26 176.10 3i14 s VAL 213 N -1.72 2.03 0.00 2.63 1.01 -1.26 -4.56 120.40 118.53 3i14 s VAL 213 Ca 0.61 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3i14 s VAL 213 Cb -0.21 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3i14 s VAL 213 CO 0.26 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3i14 n GLY 214 N 0.66 5.59 0.00 4.51 0.00 -0.21 -4.98 105.19 110.76 3i14 n GLY 214 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3i14 n GLY 214 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i14 n ASP 215 N 0.00 0.23 0.28 1.61 5.68 -1.26 -0.71 116.55 122.38 3i14 n ASP 215 Ca 0.00 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 3i14 n ASP 215 Cb 0.00 0.00 0.90 0.00 -1.14 0.00 0.00 41.12 40.88 3i14 n ASP 215 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3i14 h LYS 216 N 0.00 0.00 -0.32 0.11 3.64 -1.92 -1.26 116.57 116.82 3i14 h LYS 216 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3i14 h LYS 216 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3i14 h LYS 216 CO 0.00 0.00 0.26 0.78 -2.27 0.00 0.00 179.45 178.22 3i14 h GLY 217 N 0.00 0.00 1.51 5.01 0.00 -1.99 -0.06 103.07 107.54 3i14 h GLY 217 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 3i14 h GLY 217 CO -0.00 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.81 3i14 h LEU 218 N 0.00 0.58 -0.42 3.11 3.38 -1.53 0.72 115.31 121.15 3i14 h LEU 218 Ca 0.15 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3i14 h LEU 218 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3i14 h LEU 218 CO -0.00 0.74 -0.26 -0.07 0.09 0.00 0.00 178.44 178.94 3i14 h LEU 219 N 0.54 0.95 -1.00 1.67 3.38 -1.18 -1.73 115.31 117.94 3i14 h LEU 219 Ca 0.09 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3i14 h LEU 219 Cb 0.55 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3i14 h LEU 219 CO 0.03 1.17 0.04 -0.07 0.09 0.00 0.00 178.44 179.70 3i14 h LEU 220 N 0.74 0.72 -0.63 1.67 3.38 -1.16 -1.24 115.31 118.78 3i14 h LEU 220 Ca 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3i14 h LEU 220 Cb 0.83 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3i14 h LEU 220 CO 0.07 0.76 0.33 -0.74 0.09 0.00 0.00 178.44 178.95 3i14 h HIS 221 N 0.72 0.89 -0.37 1.13 2.76 -0.69 -1.45 115.15 118.14 3i14 h HIS 221 Ca 0.15 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 3i14 h HIS 221 Cb 0.38 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 3i14 h HIS 221 CO 0.02 0.65 0.09 1.15 -1.30 0.00 0.00 177.93 178.55 3i14 h THR 222 N 0.87 1.22 -0.77 6.26 2.02 -0.91 -0.61 112.91 120.99 3i14 h THR 222 Ca 0.22 -0.76 0.12 0.00 0.77 0.00 0.00 66.41 66.76 3i14 h THR 222 Cb 0.08 1.01 -0.08 0.00 -1.74 0.00 0.00 68.15 67.42 3i14 h THR 222 CO -0.03 0.26 0.39 -0.07 0.37 0.00 0.00 175.52 176.44 3i14 h LEU 223 N 0.46 0.49 -0.63 2.58 3.38 -0.96 -2.18 115.31 118.44 3i14 h LEU 223 Ca 0.12 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3i14 h LEU 223 Cb 0.30 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i14 h LEU 223 CO 0.00 0.25 -0.25 -0.78 0.09 0.00 0.00 178.44 177.74 3i14 h ASP 224 N 0.61 0.82 0.24 -0.43 3.58 -0.47 -2.61 116.42 118.17 3i14 h ASP 224 Ca 0.40 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 3i14 h ASP 224 Cb 0.49 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 3i14 h ASP 224 CO -0.31 1.04 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.98 3i14 h LEU 225 N 0.69 0.00 -0.15 2.28 3.38 -0.55 -2.18 115.31 118.79 3i14 h LEU 225 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i14 h LEU 225 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3i14 h LEU 225 CO 0.06 0.03 -0.16 0.18 0.09 0.00 0.00 178.44 178.65 3i14 n LEU 226 N -3.36 0.39 0.00 1.67 4.77 -0.88 -4.79 117.00 114.80 3i14 n LEU 226 Ca -0.02 0.10 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3i14 n LEU 226 Cb 0.15 -0.26 0.76 0.00 -2.33 0.00 0.00 43.42 41.74 3i14 n LEU 226 CO 0.25 0.08 0.93 0.29 -1.33 0.00 0.00 177.39 177.61