#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s81 s VAL 17 N 0.00 5.10 -0.73 1.39 1.01 -0.28 -4.06 120.40 122.83 1s81 s VAL 17 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1s81 s VAL 17 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1s81 s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1s81 n GLY 18 N 2.40 0.65 0.00 4.51 0.00 -1.20 -1.92 105.19 109.63 1s81 n GLY 18 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1s81 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s81 n GLY 19 N -1.73 2.41 3.16 -0.02 0.00 -1.26 -4.80 105.19 102.96 1s81 n GLY 19 Ca -0.08 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 1s81 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s81 s TYR 20 N 2.29 0.29 -0.16 1.61 1.13 -0.47 -4.97 117.35 117.08 1s81 s TYR 20 Ca 0.00 -0.77 -0.29 0.00 -1.41 0.00 0.00 57.07 54.60 1s81 s TYR 20 Cb 0.00 -0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 1s81 s TYR 20 CO 0.00 -0.47 1.70 0.99 -2.51 0.00 0.00 175.55 175.26 1s81 s THR 21 N -3.82 3.56 0.55 -3.49 2.01 -1.26 -0.13 115.64 113.06 1s81 s THR 21 Ca 0.05 0.64 -0.20 0.00 0.31 0.00 0.00 61.69 62.49 1s81 s THR 21 Cb 0.06 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 1s81 s THR 21 CO -0.10 -0.19 1.06 0.00 -0.69 0.00 0.00 174.62 174.70 1s81 n ALA 23 N -1.33 2.00 -1.66 0.00 0.00 -1.26 -4.85 120.51 113.40 1s81 n ALA 23 Ca 0.12 0.36 -0.51 0.00 0.00 0.00 0.00 53.44 53.41 1s81 n ALA 23 Cb 0.45 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 1s81 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s81 n ALA 24 N 0.92 0.34 -1.39 0.00 0.00 -1.26 -1.53 120.51 117.59 1s81 n ALA 24 Ca 0.05 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 1s81 n ALA 24 Cb 0.37 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 1s81 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s81 n ASN 25 N 4.58 -5.32 -0.00 0.00 4.13 -1.26 -4.86 115.26 112.53 1s81 n ASN 25 Ca 0.21 0.33 0.15 0.00 1.68 0.00 0.00 54.58 56.95 1s81 n ASN 25 Cb 0.23 -4.00 0.80 0.00 -1.54 0.00 0.00 39.78 35.28 1s81 n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s81 n SER 26 N -0.93 0.02 -3.20 6.41 3.41 -0.58 -3.99 113.62 114.75 1s81 n SER 26 Ca -0.13 -0.37 -0.25 0.00 -0.26 0.00 0.00 58.87 57.86 1s81 n SER 26 Cb 0.56 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1s81 n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s81 n ILE 27 N -1.20 1.52 0.60 -1.33 2.08 -1.26 -4.97 119.36 114.79 1s81 n ILE 27 Ca 0.17 -4.97 0.10 0.00 0.56 0.00 0.00 62.75 58.61 1s81 n ILE 27 Cb 0.21 -1.58 0.43 0.00 -0.75 0.00 0.00 39.64 37.95 1s81 n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s81 n PRO 28 N 0.57 0.08 0.06 0.38 -0.04 -1.26 -1.56 135.00 133.23 1s81 n PRO 28 Ca 0.28 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 1s81 n PRO 28 Cb 0.47 -1.62 0.22 0.00 -0.04 0.00 0.00 33.50 32.52 1s81 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s81 n TYR 29 N -1.76 0.52 -2.13 0.54 0.18 -1.17 -2.05 117.16 111.28 1s81 n TYR 29 Ca 0.04 0.15 -0.42 0.00 1.88 0.00 0.00 57.90 59.55 1s81 n TYR 29 Cb 0.25 -0.64 -0.03 0.00 -0.38 0.00 0.00 39.34 38.55 1s81 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s81 s GLN 30 N -3.14 4.27 0.29 -3.48 2.00 -0.60 -1.12 119.66 117.88 1s81 s GLN 30 Ca 0.07 2.09 0.10 0.00 -2.00 0.00 0.00 55.36 55.62 1s81 s GLN 30 Cb 0.14 -3.49 -0.05 0.00 0.80 0.00 0.00 33.01 30.42 1s81 s GLN 30 CO 0.70 -0.58 -0.02 0.14 -0.50 0.00 0.00 175.29 175.03 1s81 s VAL 31 N 2.10 3.04 -0.18 1.34 -7.23 -0.35 -4.44 120.40 114.67 1s81 s VAL 31 Ca 0.66 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1s81 s VAL 31 Cb -0.35 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 1s81 s VAL 31 CO 0.29 -0.31 0.03 -0.55 -0.31 0.00 0.00 175.10 174.24 1s81 s SER 32 N -3.68 5.25 -0.20 4.85 0.15 -0.61 -2.35 113.70 117.11 1s81 s SER 32 Ca 0.33 -0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.75 1s81 s SER 32 Cb -0.04 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1s81 s SER 32 CO 0.19 0.14 0.51 -0.76 1.20 0.00 0.00 173.24 174.52 1s81 s LEU 33 N 0.59 4.14 -0.08 3.45 1.43 0.29 -0.49 118.68 128.01 1s81 s LEU 33 Ca 0.01 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1s81 s LEU 33 Cb -0.13 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1s81 s LEU 33 CO 0.02 -0.18 -0.23 0.21 0.23 0.00 0.00 176.35 176.39 1s81 s ASN 34 N 1.18 3.22 -0.42 2.29 3.84 0.15 -1.45 114.94 123.75 1s81 s ASN 34 Ca 0.24 -0.50 0.02 0.00 0.21 0.00 0.00 52.86 52.83 1s81 s ASN 34 Cb -0.15 -1.13 0.15 0.00 -0.55 0.00 0.00 41.25 39.57 1s81 s ASN 34 CO 0.09 0.21 0.29 -0.55 -2.79 0.00 0.00 177.10 174.36 1s81 s SER 37 N 0.05 2.60 0.00 -4.21 0.15 -1.26 -1.22 113.70 109.82 1s81 s SER 37 Ca -0.09 -2.77 0.00 0.00 0.70 0.00 0.00 55.95 53.79 1s81 s SER 37 Cb -0.15 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1s81 s SER 37 CO 0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1s81 n GLY 38 N 3.29 0.97 3.36 9.45 0.00 -1.26 -4.80 105.19 116.20 1s81 n GLY 38 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1s81 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s81 s SER 39 N 0.00 0.05 0.23 1.61 1.04 -1.26 -5.14 113.70 110.23 1s81 s SER 39 Ca 0.00 -0.99 -0.32 0.00 0.48 0.00 0.00 55.95 55.12 1s81 s SER 39 Cb 0.00 0.45 -0.13 0.00 0.10 0.00 0.00 66.02 66.43 1s81 s SER 39 CO 0.00 -0.93 1.45 1.57 0.98 0.00 0.00 173.24 176.31 1s81 n HIS 40 N -0.25 2.22 0.00 5.02 -0.00 -1.26 -4.36 115.22 116.58 1s81 n HIS 40 Ca -0.04 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1s81 n HIS 40 Cb 0.63 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 1s81 n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s81 n PHE 41 N 2.21 0.00 -3.81 1.57 -1.74 -0.53 -4.92 117.46 110.24 1s81 n PHE 41 Ca 0.12 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.92 1s81 n PHE 41 Cb 0.31 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.27 1s81 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s81 s GLY 43 N -2.91 1.84 0.29 0.00 0.00 0.40 -0.54 107.32 106.39 1s81 s GLY 43 Ca 0.12 -1.62 -0.19 0.00 0.00 0.00 0.00 44.72 43.03 1s81 s GLY 43 CO 0.00 -1.29 0.87 -0.32 0.00 0.00 0.00 173.10 172.37 1s81 s GLY 44 N -4.50 0.17 -0.06 0.20 0.00 -0.99 -3.77 107.32 98.38 1s81 s GLY 44 Ca 0.59 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.84 1s81 s GLY 44 CO 0.38 0.57 -0.07 -0.56 0.00 0.00 0.00 173.10 173.42 1s81 s SER 45 N -3.14 1.39 -0.22 1.64 0.01 -0.20 -1.21 113.70 111.97 1s81 s SER 45 Ca 0.16 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1s81 s SER 45 Cb -0.04 -0.61 -0.02 0.00 0.21 0.00 0.00 66.02 65.56 1s81 s SER 45 CO 0.08 -0.05 1.48 -0.22 0.41 0.00 0.00 173.24 174.95 1s81 s LEU 46 N 1.01 3.96 -0.00 2.44 2.96 -0.28 -0.91 118.68 127.86 1s81 s LEU 46 Ca -0.09 1.56 0.02 0.00 -0.22 0.00 0.00 54.13 55.39 1s81 s LEU 46 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1s81 s LEU 46 CO -0.00 -1.11 0.07 2.30 -1.32 0.00 0.00 176.35 176.28 1s81 n ILE 47 N 6.14 0.00 -3.57 6.68 -5.35 -0.71 -1.32 119.36 121.23 1s81 n ILE 47 Ca 0.17 -0.43 -0.11 0.00 -0.27 0.00 0.00 62.75 62.10 1s81 n ILE 47 Cb 0.45 0.97 -0.04 0.00 -1.74 0.00 0.00 39.64 39.28 1s81 n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1s81 s ASN 48 N -1.22 -0.35 0.52 7.28 3.84 -1.11 -4.74 114.94 119.17 1s81 s ASN 48 Ca 0.01 -0.18 0.29 0.00 0.21 0.00 0.00 52.86 53.19 1s81 s ASN 48 Cb 0.01 0.51 1.43 0.00 -0.55 0.00 0.00 41.25 42.65 1s81 s ASN 48 CO 0.07 -0.87 1.89 0.77 -2.79 0.00 0.00 177.10 176.17 1s81 h SER 49 N 2.32 0.05 -0.01 -4.21 4.64 -1.96 -2.31 113.55 112.08 1s81 h SER 49 Ca -0.34 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1s81 h SER 49 Cb 1.27 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s81 h SER 49 CO 0.44 0.02 -0.05 0.00 -0.87 0.00 0.00 176.83 176.36 1s81 n GLN 50 N -4.31 0.96 -4.16 4.77 6.02 -1.26 -0.64 117.38 118.76 1s81 n GLN 50 Ca 0.18 -1.07 -0.18 0.00 -0.01 0.00 0.00 57.00 55.92 1s81 n GLN 50 Cb 0.90 -1.20 -0.15 0.00 1.02 0.00 0.00 30.24 30.81 1s81 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s81 s TRP 51 N -1.10 0.58 -0.09 1.08 0.52 -0.87 -0.64 118.94 118.43 1s81 s TRP 51 Ca 0.13 -0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.14 1s81 s TRP 51 Cb 0.10 -0.47 -0.02 0.00 -1.15 0.00 0.00 33.47 31.93 1s81 s TRP 51 CO 0.18 -0.09 -0.12 0.08 0.02 0.00 0.00 176.95 177.02 1s81 s VAL 52 N 0.39 3.17 -0.08 4.03 1.01 -0.15 -1.73 120.40 127.04 1s81 s VAL 52 Ca -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1s81 s VAL 52 Cb -0.08 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1s81 s VAL 52 CO -0.00 0.56 0.07 0.54 0.00 0.00 0.00 175.10 176.26 1s81 s VAL 53 N -0.26 4.81 0.00 2.92 0.11 -0.09 -0.46 120.40 127.43 1s81 s VAL 53 Ca 0.02 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1s81 s VAL 53 Cb -0.13 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 1s81 s VAL 53 CO 0.03 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.12 1s81 n SER 54 N 1.92 0.00 -4.81 3.54 2.88 0.37 -1.03 113.62 116.48 1s81 n SER 54 Ca -0.18 -0.53 -0.37 0.00 -1.33 0.00 0.00 58.87 56.46 1s81 n SER 54 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 1s81 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s81 s ALA 55 N -1.58 3.76 0.53 -1.46 0.00 -1.26 -1.51 121.76 120.23 1s81 s ALA 55 Ca 0.00 -0.56 0.18 0.00 0.00 0.00 0.00 51.96 51.58 1s81 s ALA 55 Cb 0.00 -2.15 1.33 0.00 0.00 0.00 0.00 23.12 22.30 1s81 s ALA 55 CO 0.00 0.39 2.15 0.00 0.00 0.00 0.00 175.76 178.30 1s81 h ALA 56 N 5.68 2.00 0.00 0.00 0.00 -1.70 -2.25 119.26 122.99 1s81 h ALA 56 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1s81 h ALA 56 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s81 h ALA 56 CO 0.66 -0.05 0.00 1.12 0.00 0.00 0.00 179.25 180.98 1s81 h HIS 57 N 0.00 0.00 0.00 0.00 2.07 -1.93 -1.15 115.15 114.15 1s81 h HIS 57 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1s81 h HIS 57 Cb 0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.06 1s81 h HIS 57 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1s81 n TYR 59 N -1.01 2.50 -4.11 0.00 9.36 -0.44 -5.01 117.16 118.45 1s81 n TYR 59 Ca 0.18 0.28 -0.11 0.00 3.32 0.00 0.00 57.90 61.57 1s81 n TYR 59 Cb 0.09 -2.55 -0.11 0.00 -0.63 0.00 0.00 39.34 36.14 1s81 n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s81 s LYS 60 N 0.09 0.65 0.39 2.98 1.02 -1.26 -5.08 119.74 118.54 1s81 s LYS 60 Ca 0.70 -1.04 0.21 0.00 0.02 0.00 0.00 55.97 55.86 1s81 s LYS 60 Cb -0.58 -0.18 0.26 0.00 -0.52 0.00 0.00 37.83 36.81 1s81 s LYS 60 CO 0.44 -0.00 1.56 0.66 -0.92 0.00 0.00 175.35 177.09 1s81 h SER 61 N 3.72 0.00 -3.25 2.83 4.64 -2.01 -3.42 113.55 116.06 1s81 h SER 61 Ca -0.35 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.31 1s81 h SER 61 Cb 1.18 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.93 1s81 h SER 61 CO 0.53 0.14 -0.87 -0.13 -0.87 0.00 0.00 176.83 175.64 1s81 s ARG 62 N -3.14 2.89 -0.04 4.77 0.52 -1.26 -5.01 118.95 117.68 1s81 s ARG 62 Ca 0.06 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1s81 s ARG 62 Cb 0.06 -2.30 0.02 0.00 0.52 0.00 0.00 34.95 33.25 1s81 s ARG 62 CO 0.69 0.03 0.09 0.42 0.02 0.00 0.00 175.30 176.55 1s81 s ILE 63 N 0.72 -0.02 -0.21 1.52 1.01 -1.26 -4.82 121.20 118.13 1s81 s ILE 63 Ca -0.10 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 1s81 s ILE 63 Cb -0.16 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 1s81 s ILE 63 CO 0.01 0.04 0.06 -1.58 0.00 0.00 0.00 174.94 173.46 1s81 s GLN 64 N 0.54 3.80 -0.05 2.79 0.74 -0.35 -0.86 119.66 126.27 1s81 s GLN 64 Ca -0.04 -0.42 -0.22 0.00 0.05 0.00 0.00 55.36 54.73 1s81 s GLN 64 Cb -0.06 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 1s81 s GLN 64 CO -0.02 0.06 0.63 0.08 -0.55 0.00 0.00 175.29 175.49 1s81 s VAL 65 N 0.94 5.00 -0.26 1.34 1.01 -0.18 -0.67 120.40 127.57 1s81 s VAL 65 Ca 0.03 1.31 -0.00 0.00 0.00 0.00 0.00 61.98 63.32 1s81 s VAL 65 Cb -0.14 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.31 1s81 s VAL 65 CO 0.03 0.33 -0.07 -0.13 0.00 0.00 0.00 175.10 175.26 1s81 s ARG 66 N 0.37 2.57 0.22 2.72 0.52 0.35 -1.45 118.95 124.26 1s81 s ARG 66 Ca 0.34 -1.15 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 1s81 s ARG 66 Cb -0.18 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 1s81 s ARG 66 CO 0.17 -0.50 0.29 -0.51 0.02 0.00 0.00 175.30 174.77 1s81 s LEU 67 N 1.24 4.16 -0.93 2.53 1.02 -0.33 -1.58 118.68 124.79 1s81 s LEU 67 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.10 1s81 s LEU 67 Cb -0.18 -2.71 0.00 0.00 0.02 0.00 0.00 46.19 43.32 1s81 s LEU 67 CO -0.04 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 176.90 1s81 n GLY 69 N -1.15 0.62 3.84 -3.19 0.00 -1.26 -1.60 105.19 102.45 1s81 n GLY 69 Ca -0.08 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1s81 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s81 s GLU 70 N -3.54 4.09 0.11 1.61 0.41 -1.26 -3.79 118.70 116.33 1s81 s GLU 70 Ca 0.00 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 1s81 s GLU 70 Cb 0.00 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1s81 s GLU 70 CO 0.00 0.34 0.00 1.58 -0.49 0.00 0.00 175.26 176.69 1s81 n HIS 71 N 0.36 -0.26 -3.12 1.61 -0.00 -1.26 -4.59 115.22 107.95 1s81 n HIS 71 Ca -0.01 0.05 -0.44 0.00 -0.00 0.00 0.00 57.72 57.32 1s81 n HIS 71 Cb 0.52 0.06 -0.06 0.00 -0.00 0.00 0.00 29.99 30.51 1s81 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s81 s ASN 72 N -5.85 6.24 0.22 0.26 3.84 -1.26 -2.32 114.94 116.08 1s81 s ASN 72 Ca 0.00 -0.84 0.22 0.00 0.21 0.00 0.00 52.86 52.46 1s81 s ASN 72 Cb 0.00 -2.31 0.93 0.00 -0.55 0.00 0.00 41.25 39.32 1s81 s ASN 72 CO 0.00 -0.93 1.68 2.30 -2.79 0.00 0.00 177.10 177.36 1s81 n ILE 73 N 5.69 0.85 1.07 -5.21 -5.35 -0.71 -2.97 119.36 112.72 1s81 n ILE 73 Ca -0.05 0.23 0.11 0.00 -0.27 0.00 0.00 62.75 62.77 1s81 n ILE 73 Cb 0.46 -1.13 0.09 0.00 -1.74 0.00 0.00 39.64 37.32 1s81 n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s81 n ASP 74 N -2.14 1.60 -3.86 7.28 8.00 -1.26 -4.92 116.55 121.26 1s81 n ASP 74 Ca 0.02 -1.25 -0.12 0.00 0.71 0.00 0.00 54.79 54.15 1s81 n ASP 74 Cb 0.22 0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 41.62 1s81 n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s81 s VAL 75 N -2.56 0.01 -0.34 2.53 1.01 -1.16 -5.13 120.40 114.76 1s81 s VAL 75 Ca 0.19 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 1s81 s VAL 75 Cb 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.49 1s81 s VAL 75 CO 0.59 -0.04 1.03 -0.22 0.00 0.00 0.00 175.10 176.47 1s81 s LEU 76 N -0.09 3.93 -0.01 3.92 2.96 -1.26 -4.66 118.68 123.46 1s81 s LEU 76 Ca -0.01 0.88 0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1s81 s LEU 76 Cb -0.01 -3.46 -0.15 0.00 0.50 0.00 0.00 46.19 43.07 1s81 s LEU 76 CO 0.00 -0.89 0.36 -0.62 -1.32 0.00 0.00 176.35 173.87 1s81 n GLU 77 N 6.90 1.77 0.00 1.98 1.02 -1.26 -5.02 120.64 126.03 1s81 n GLU 77 Ca 0.10 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1s81 n GLU 77 Cb 0.48 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1s81 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s81 n GLY 78 N 1.57 1.03 0.81 0.62 0.00 -1.26 -4.96 105.19 102.98 1s81 n GLY 78 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1s81 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s81 n ASN 79 N 0.00 2.69 -4.80 1.61 3.02 -1.26 -5.01 115.26 111.50 1s81 n ASN 79 Ca 0.00 -1.83 -0.34 0.00 -0.03 0.00 0.00 54.58 52.38 1s81 n ASN 79 Cb 0.00 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 1s81 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s81 s GLU 80 N -1.63 3.84 -0.11 3.52 8.01 -1.25 -4.45 118.70 126.64 1s81 s GLU 80 Ca 0.24 1.32 -0.01 0.00 0.01 0.00 0.00 54.97 56.53 1s81 s GLU 80 Cb 0.17 -2.10 0.03 0.00 -4.31 0.00 0.00 34.13 27.91 1s81 s GLU 80 CO 0.25 -0.39 -0.06 -0.65 0.01 0.00 0.00 175.26 174.42 1s81 s GLN 81 N -3.26 1.36 -0.25 1.61 -0.21 -0.63 -4.98 119.66 113.30 1s81 s GLN 81 Ca 0.66 -0.19 -0.08 0.00 0.02 0.00 0.00 55.36 55.77 1s81 s GLN 81 Cb -0.15 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.35 1s81 s GLN 81 CO 0.20 -0.27 0.11 -0.06 -2.12 0.00 0.00 175.29 173.14 1s81 s PHE 82 N 1.75 3.15 -0.04 0.91 0.40 -1.26 -1.18 117.98 121.71 1s81 s PHE 82 Ca 0.05 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1s81 s PHE 82 Cb -0.13 -2.26 0.03 0.00 0.51 0.00 0.00 43.02 41.18 1s81 s PHE 82 CO -0.08 -0.21 0.05 0.42 0.70 0.00 0.00 175.22 176.11 1s81 s ILE 83 N 1.45 -0.10 0.59 0.64 1.01 -0.53 -5.00 121.20 119.27 1s81 s ILE 83 Ca 0.06 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 1s81 s ILE 83 Cb -0.15 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 1s81 s ILE 83 CO 0.05 0.15 1.13 0.20 0.00 0.00 0.00 174.94 176.47 1s81 s ASN 84 N 1.85 5.44 0.08 3.58 0.01 -1.26 -1.01 114.94 123.61 1s81 s ASN 84 Ca 0.01 2.12 -0.30 0.00 -0.71 0.00 0.00 52.86 53.98 1s81 s ASN 84 Cb -0.12 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.92 1s81 s ASN 84 CO -0.03 -1.41 1.04 0.00 -1.51 0.00 0.00 177.10 175.19 1s81 s ALA 85 N -1.99 3.27 -0.16 0.60 0.00 -0.04 -1.38 121.76 122.06 1s81 s ALA 85 Ca 0.71 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 53.30 1s81 s ALA 85 Cb -0.23 -3.35 -0.23 0.00 0.00 0.00 0.00 23.12 19.31 1s81 s ALA 85 CO 0.33 -0.21 0.19 0.00 0.00 0.00 0.00 175.76 176.07 1s81 n ALA 86 N 3.32 1.08 -2.74 0.00 0.00 0.45 -4.79 120.51 117.82 1s81 n ALA 86 Ca 0.05 -0.76 -0.16 0.00 0.00 0.00 0.00 53.44 52.56 1s81 n ALA 86 Cb 0.49 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 1s81 n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s81 s LYS 87 N -2.55 0.56 -0.18 0.00 1.02 -1.19 -5.01 119.74 112.39 1s81 s LYS 87 Ca -0.25 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 55.36 1s81 s LYS 87 Cb 0.07 -0.51 0.06 0.00 -0.52 0.00 0.00 37.83 36.93 1s81 s LYS 87 CO 0.72 0.13 0.03 0.42 -0.92 0.00 0.00 175.35 175.73 1s81 s ILE 88 N -0.39 0.52 -0.30 2.17 1.01 -1.26 -1.15 121.20 121.80 1s81 s ILE 88 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1s81 s ILE 88 Cb -0.04 -0.99 0.09 0.00 0.01 0.00 0.00 42.46 41.53 1s81 s ILE 88 CO -0.00 -0.16 0.04 -0.63 0.00 0.00 0.00 174.94 174.19 1s81 s ILE 89 N 1.87 1.56 0.44 2.92 1.01 0.08 -5.00 121.20 124.07 1s81 s ILE 89 Ca -0.00 -1.70 -0.23 0.00 0.00 0.00 0.00 60.65 58.72 1s81 s ILE 89 Cb -0.17 -2.07 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 1s81 s ILE 89 CO -0.08 -0.50 1.08 0.42 0.00 0.00 0.00 174.94 175.86 1s81 s THR 90 N 1.30 3.56 0.19 2.92 -4.23 -1.26 -0.68 115.64 117.44 1s81 s THR 90 Ca 0.06 1.12 -0.33 0.00 -1.18 0.00 0.00 61.69 61.36 1s81 s THR 90 Cb -0.18 -3.54 -0.14 0.00 1.34 0.00 0.00 72.50 69.98 1s81 s THR 90 CO -0.14 -0.07 1.49 1.57 -0.54 0.00 0.00 174.62 176.93 1s81 n HIS 91 N -0.46 2.19 0.31 3.99 -0.00 -0.39 -4.88 115.22 115.98 1s81 n HIS 91 Ca 0.07 0.36 0.16 0.00 0.46 0.00 0.00 57.72 58.77 1s81 n HIS 91 Cb 0.50 -2.50 0.71 0.00 -0.12 0.00 0.00 29.99 28.58 1s81 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s81 h PRO 92 N 5.12 0.00 -0.62 1.57 0.13 -1.93 -1.79 132.00 134.47 1s81 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s81 h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1s81 h PRO 92 CO 0.83 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 1s81 n ASN 93 N -2.78 4.21 -4.66 1.44 5.03 -1.26 -4.99 115.26 112.25 1s81 n ASN 93 Ca 0.00 -2.26 -0.48 0.00 0.87 0.00 0.00 54.58 52.71 1s81 n ASN 93 Cb 0.22 -0.50 -0.05 0.00 -1.02 0.00 0.00 39.78 38.43 1s81 n ASN 93 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1s81 n PHE 94 N 1.15 2.17 -4.02 3.10 7.35 -0.68 -4.63 117.46 121.91 1s81 n PHE 94 Ca 0.23 0.26 -0.34 0.00 -0.76 0.00 0.00 57.45 56.85 1s81 n PHE 94 Cb 0.74 -2.54 -0.15 0.00 0.35 0.00 0.00 39.48 37.88 1s81 n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s81 s ASN 95 N 1.82 3.98 0.09 -2.13 3.84 -0.75 -5.01 114.94 116.78 1s81 s ASN 95 Ca 0.84 -0.84 0.21 0.00 0.21 0.00 0.00 52.86 53.29 1s81 s ASN 95 Cb -0.74 -1.60 0.86 0.00 -0.55 0.00 0.00 41.25 39.22 1s81 s ASN 95 CO 0.44 -0.09 1.66 0.61 -2.79 0.00 0.00 177.10 176.94 1s81 n GLY 96 N 4.63 -1.26 0.06 1.21 0.00 -1.26 -0.47 105.19 108.10 1s81 n GLY 96 Ca -0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1s81 n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1s81 h ASN 97 N 0.00 0.00 1.33 1.61 -0.73 -1.97 -3.40 115.58 112.42 1s81 h ASN 97 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1s81 h ASN 97 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1s81 h ASN 97 CO 0.00 0.62 -0.18 0.71 -0.37 0.00 0.00 177.43 178.22 1s81 h THR 98 N -0.93 0.00 -1.00 -3.57 1.35 -1.99 -3.47 112.91 103.31 1s81 h THR 98 Ca 0.00 -0.51 -0.36 0.00 -0.55 0.00 0.00 66.41 64.99 1s81 h THR 98 Cb 0.32 1.39 -0.14 0.00 -1.73 0.00 0.00 68.15 67.99 1s81 h THR 98 CO 0.00 0.00 -0.33 0.18 -0.25 0.00 0.00 175.52 175.12 1s81 n LEU 99 N -2.26 -1.21 -4.78 3.87 4.77 0.38 -5.00 117.00 112.78 1s81 n LEU 99 Ca 0.05 0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 56.06 1s81 n LEU 99 Cb 0.44 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 1s81 n LEU 99 CO 0.32 -0.99 1.14 -0.62 -1.33 0.00 0.00 177.39 175.90 1s81 s ASP 100 N -2.56 6.26 -1.33 -1.43 2.15 -1.22 -2.84 116.67 115.71 1s81 s ASP 100 Ca 0.00 3.05 -0.06 0.00 0.43 0.00 0.00 52.55 55.97 1s81 s ASP 100 Cb 0.00 -2.67 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1s81 s ASP 100 CO 0.00 -0.93 1.07 0.59 -0.17 0.00 0.00 175.17 175.73 1s81 n ASN 101 N 0.35 -4.45 -4.56 -0.34 3.02 -1.26 -1.81 115.26 106.21 1s81 n ASN 101 Ca 0.02 -0.61 -0.43 0.00 -0.03 0.00 0.00 54.58 53.52 1s81 n ASN 101 Cb 0.39 -4.86 -0.00 0.00 -0.61 0.00 0.00 39.78 34.70 1s81 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s81 s ASP 102 N -3.73 6.88 -0.10 6.41 2.15 -1.13 -4.16 116.67 122.99 1s81 s ASP 102 Ca 0.37 -2.53 -0.18 0.00 0.43 0.00 0.00 52.55 50.63 1s81 s ASP 102 Cb -0.17 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1s81 s ASP 102 CO 0.75 -1.10 0.45 -0.51 -0.17 0.00 0.00 175.17 174.58 1s81 s ILE 103 N 3.80 0.02 -0.19 4.11 2.07 -1.26 -4.01 121.20 125.74 1s81 s ILE 103 Ca 0.52 -0.17 -0.14 0.00 -1.41 0.00 0.00 60.65 59.45 1s81 s ILE 103 Cb 0.03 -0.69 0.05 0.00 0.13 0.00 0.00 42.46 41.98 1s81 s ILE 103 CO 0.07 -0.09 0.48 -0.32 -1.91 0.00 0.00 174.94 173.16 1s81 s MET 104 N -0.54 0.52 -0.07 3.50 -2.45 -0.57 -1.26 119.30 118.43 1s81 s MET 104 Ca -0.07 0.75 -0.00 0.00 -1.25 0.00 0.00 55.69 55.12 1s81 s MET 104 Cb -0.03 0.18 -0.03 0.00 1.25 0.00 0.00 34.83 36.19 1s81 s MET 104 CO 0.03 -0.10 -0.03 -0.51 1.05 0.00 0.00 175.02 175.46 1s81 s LEU 105 N 0.71 3.37 -0.17 4.11 1.43 0.14 -0.48 118.68 127.78 1s81 s LEU 105 Ca -0.04 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1s81 s LEU 105 Cb -0.05 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1s81 s LEU 105 CO -0.05 0.37 -0.15 -0.63 0.23 0.00 0.00 176.35 176.12 1s81 s ILE 106 N -0.85 1.74 -0.07 -0.59 1.01 0.39 -0.74 121.20 122.08 1s81 s ILE 106 Ca 0.13 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 1s81 s ILE 106 Cb -0.11 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1s81 s ILE 106 CO 0.02 0.39 0.80 -0.75 0.00 0.00 0.00 174.94 175.40 1s81 s LYS 107 N 1.40 4.44 0.32 2.79 2.20 -0.30 -0.98 119.74 129.61 1s81 s LYS 107 Ca 0.03 1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 56.41 1s81 s LYS 107 Cb -0.14 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 1s81 s LYS 107 CO -0.10 -0.04 1.07 -0.51 -0.36 0.00 0.00 175.35 175.40 1s81 s LEU 108 N 1.12 4.41 0.50 5.43 1.43 0.19 -0.41 118.68 131.35 1s81 s LEU 108 Ca 0.41 2.17 0.24 0.00 -1.03 0.00 0.00 54.13 55.92 1s81 s LEU 108 Cb -0.18 -3.82 1.31 0.00 0.03 0.00 0.00 46.19 43.53 1s81 s LEU 108 CO 0.20 -0.25 2.04 0.28 0.23 0.00 0.00 176.35 178.85 1s81 h SER 109 N 3.37 0.00 -5.07 2.29 0.02 -1.53 -3.43 113.55 109.20 1s81 h SER 109 Ca -0.47 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 1s81 h SER 109 Cb 1.21 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.57 1s81 h SER 109 CO 0.65 0.14 -0.57 -0.94 -1.14 0.00 0.00 176.83 174.97 1s81 s SER 110 N -6.40 0.21 0.34 3.07 1.04 -1.26 -5.02 113.70 105.67 1s81 s SER 110 Ca -0.03 -0.54 -0.29 0.00 0.48 0.00 0.00 55.95 55.57 1s81 s SER 110 Cb 0.14 0.20 -0.10 0.00 0.10 0.00 0.00 66.02 66.35 1s81 s SER 110 CO 0.62 -0.46 1.36 -2.84 0.98 0.00 0.00 173.24 172.89 1s81 s PRO 111 N -2.38 4.29 0.53 4.02 0.02 -1.26 -4.89 135.00 135.33 1s81 s PRO 111 Ca -0.07 2.30 -0.22 0.00 0.02 0.00 0.00 61.00 63.03 1s81 s PRO 111 Cb -0.03 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.39 1s81 s PRO 111 CO -0.04 -0.28 1.33 0.00 -0.33 0.00 0.00 177.00 177.68 1s81 n ALA 112 N 0.80 1.50 -2.62 -1.55 0.00 0.19 -4.99 120.51 113.85 1s81 n ALA 112 Ca 0.01 0.14 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1s81 n ALA 112 Cb 0.41 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 1s81 n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s81 s THR 113 N -1.29 5.15 -0.00 0.00 2.01 -1.26 -4.86 115.64 115.39 1s81 s THR 113 Ca 0.70 0.67 -0.17 0.00 0.31 0.00 0.00 61.69 63.20 1s81 s THR 113 Cb -0.43 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 1s81 s THR 113 CO 0.50 0.15 0.48 -0.76 -0.69 0.00 0.00 174.62 174.30 1s81 s LEU 114 N 2.06 4.45 0.00 4.42 1.43 -1.26 -4.74 118.68 125.03 1s81 s LEU 114 Ca 0.17 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1s81 s LEU 114 Cb -0.16 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1s81 s LEU 114 CO 0.09 0.23 0.00 -0.46 0.23 0.00 0.00 176.35 176.44 1s81 n ASN 115 N 2.24 0.00 0.22 2.29 0.23 -0.09 -4.99 115.26 115.15 1s81 n ASN 115 Ca -0.11 -0.67 0.06 0.00 -0.53 0.00 0.00 54.58 53.32 1s81 n ASN 115 Cb 0.52 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.71 1s81 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s81 h SER 116 N 0.00 0.00 0.09 0.53 4.64 -1.99 -3.21 113.55 113.61 1s81 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s81 h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s81 h SER 116 CO 0.00 0.24 -1.35 0.54 -0.87 0.00 0.00 176.83 175.39 1s81 n ARG 117 N -4.10 0.29 -3.78 4.77 1.74 -1.26 -4.77 116.66 109.55 1s81 n ARG 117 Ca -0.02 -0.07 -0.27 0.00 -0.77 0.00 0.00 57.85 56.72 1s81 n ARG 117 Cb 0.31 -1.53 -0.17 0.00 -1.02 0.00 0.00 32.46 30.05 1s81 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s81 s VAL 118 N -3.22 0.62 0.04 1.55 1.01 -1.21 -4.33 120.40 114.87 1s81 s VAL 118 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1s81 s VAL 118 Cb 0.15 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1s81 s VAL 118 CO 0.87 -0.03 0.24 0.00 0.00 0.00 0.00 175.10 176.18 1s81 s ALA 119 N 1.83 -0.48 0.57 5.51 0.00 -0.87 -0.91 121.76 127.41 1s81 s ALA 119 Ca 0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1s81 s ALA 119 Cb -0.16 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1s81 s ALA 119 CO -0.07 -0.39 1.02 0.95 0.00 0.00 0.00 175.76 177.27 1s81 s THR 120 N -2.59 4.41 -0.08 0.00 -4.23 -1.26 -3.03 115.64 108.85 1s81 s THR 120 Ca -0.05 1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 61.48 1s81 s THR 120 Cb -0.01 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1s81 s THR 120 CO -0.04 -0.79 -0.03 0.54 -0.54 0.00 0.00 174.62 173.76 1s81 s VAL 121 N -2.77 4.00 0.35 2.29 0.11 -0.44 -4.85 120.40 119.09 1s81 s VAL 121 Ca 0.59 -0.36 -0.29 0.00 -2.93 0.00 0.00 61.98 58.99 1s81 s VAL 121 Cb -0.12 -2.66 -0.11 0.00 -1.53 0.00 0.00 36.38 31.96 1s81 s VAL 121 CO 0.40 0.60 1.46 -0.55 -3.33 0.00 0.00 175.10 173.68 1s81 s SER 122 N -0.82 6.45 0.91 3.54 0.15 -1.25 -4.57 113.70 118.10 1s81 s SER 122 Ca 0.12 2.94 -0.11 0.00 0.70 0.00 0.00 55.95 59.61 1s81 s SER 122 Cb -0.11 -2.66 0.14 0.00 -1.71 0.00 0.00 66.02 61.68 1s81 s SER 122 CO 0.02 -0.80 1.10 -0.76 1.20 0.00 0.00 173.24 174.00 1s81 s LEU 123 N -1.72 2.41 0.21 3.45 1.43 -1.26 -1.05 118.68 122.14 1s81 s LEU 123 Ca 0.54 1.77 -0.32 0.00 -1.03 0.00 0.00 54.13 55.08 1s81 s LEU 123 Cb -0.45 -4.17 -0.13 0.00 0.03 0.00 0.00 46.19 41.47 1s81 s LEU 123 CO 0.58 -2.84 1.59 -2.65 0.23 0.00 0.00 176.35 173.25 1s81 n PRO 124 N -4.04 2.37 0.08 1.29 -0.02 -1.25 -4.67 135.00 128.75 1s81 n PRO 124 Ca 0.08 0.85 -0.05 0.00 -2.02 0.00 0.00 63.50 62.36 1s81 n PRO 124 Cb 0.54 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 1s81 n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s81 h ARG 125 N 5.68 0.00 -3.43 -0.52 3.08 -1.96 -3.49 114.38 113.75 1s81 h ARG 125 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 1s81 h ARG 125 Cb 1.24 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.21 1s81 h ARG 125 CO 0.87 0.90 -0.00 -1.54 -1.07 0.00 0.00 179.97 179.12 1s81 s SER 127 N -6.74 -0.16 0.72 7.04 1.04 -1.26 -5.16 113.70 109.18 1s81 s SER 127 Ca 0.00 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 1s81 s SER 127 Cb 0.11 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.87 1s81 s SER 127 CO 0.80 -1.18 1.07 0.00 0.98 0.00 0.00 173.24 174.91 1s81 s ALA 129 N -3.07 3.74 0.67 0.00 0.00 -1.26 -5.07 121.76 116.78 1s81 s ALA 129 Ca 0.59 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1s81 s ALA 129 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1s81 s ALA 129 CO 0.55 0.56 1.21 0.00 0.00 0.00 0.00 175.76 178.08 1s81 s ALA 130 N -1.30 2.30 0.37 0.00 0.00 -1.26 -4.96 121.76 116.92 1s81 s ALA 130 Ca 0.29 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 1s81 s ALA 130 Cb -0.14 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 1s81 s ALA 130 CO 0.16 -1.58 1.45 0.00 0.00 0.00 0.00 175.76 175.79 1s81 s ALA 132 N -1.84 3.56 0.00 0.00 0.00 -1.26 -2.02 121.76 120.20 1s81 s ALA 132 Ca 0.75 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1s81 s ALA 132 Cb -0.30 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1s81 s ALA 132 CO 0.41 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1s81 n GLY 133 N 0.53 1.70 3.69 0.00 0.00 0.62 -4.98 105.19 106.74 1s81 n GLY 133 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1s81 n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s81 n THR 134 N -2.00 0.06 -2.63 2.61 -1.04 -0.85 -4.61 114.28 105.81 1s81 n THR 134 Ca 0.00 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 1s81 n THR 134 Cb 0.00 -1.76 -0.04 0.00 -1.82 0.00 0.00 70.33 66.71 1s81 n THR 134 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s81 s GLU 135 N 1.30 4.60 0.29 -2.82 2.12 -1.26 -1.25 118.70 121.67 1s81 s GLU 135 Ca 0.78 1.55 0.05 0.00 0.36 0.00 0.00 54.97 57.72 1s81 s GLU 135 Cb -0.60 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.36 1s81 s GLU 135 CO 0.36 0.04 -0.02 0.00 -0.54 0.00 0.00 175.26 175.10 1s81 s LEU 137 N -3.44 2.24 -0.09 0.00 2.96 0.19 -1.38 118.68 119.16 1s81 s LEU 137 Ca 0.31 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1s81 s LEU 137 Cb 0.05 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 1s81 s LEU 137 CO 0.12 0.01 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 1s81 s ILE 138 N 1.22 3.15 0.04 6.68 1.01 0.06 -1.63 121.20 131.72 1s81 s ILE 138 Ca 0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1s81 s ILE 138 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1s81 s ILE 138 CO -0.10 0.56 0.07 -0.94 0.00 0.00 0.00 174.94 174.53 1s81 s SER 139 N -0.25 0.22 0.00 3.58 1.04 -1.21 -0.13 113.70 116.95 1s81 s SER 139 Ca 0.02 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1s81 s SER 139 Cb -0.13 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1s81 s SER 139 CO 0.03 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1s81 n GLY 140 N 0.77 -0.28 1.73 7.32 0.00 -0.37 -4.31 105.19 110.05 1s81 n GLY 140 Ca -0.19 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 1s81 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s81 n TRP 141 N -0.93 2.14 -1.75 1.61 8.01 -1.26 -2.10 117.44 123.16 1s81 n TRP 141 Ca 0.00 -1.67 -0.30 0.00 -1.31 0.00 0.00 57.50 54.22 1s81 n TRP 141 Cb 0.00 -0.72 0.20 0.00 -2.01 0.00 0.00 31.31 28.78 1s81 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1s81 s GLY 142 N -1.82 1.74 0.31 6.99 0.00 -1.24 -4.32 107.32 108.97 1s81 s GLY 142 Ca 0.51 -1.16 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 1s81 s GLY 142 CO 0.06 -0.36 1.35 -2.01 0.00 0.00 0.00 173.10 172.14 1s81 n ASN 143 N -3.99 2.86 -0.00 1.64 5.15 -0.26 -3.17 115.26 117.49 1s81 n ASN 143 Ca 0.15 1.19 0.06 0.00 -0.60 0.00 0.00 54.58 55.38 1s81 n ASN 143 Cb 0.59 -1.48 -0.08 0.00 -0.53 0.00 0.00 39.78 38.29 1s81 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s81 n THR 144 N 0.88 0.00 -3.54 -0.44 -2.24 -0.35 -0.45 114.28 108.14 1s81 n THR 144 Ca 0.07 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 1s81 n THR 144 Cb 0.35 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 1s81 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s81 s LYS 145 N -2.30 3.95 0.01 -0.78 3.01 -1.26 -4.42 119.74 117.95 1s81 s LYS 145 Ca 0.03 0.30 0.28 0.00 -1.01 0.00 0.00 55.97 55.56 1s81 s LYS 145 Cb 0.09 -3.27 0.98 0.00 -1.01 0.00 0.00 37.83 34.62 1s81 s LYS 145 CO 0.52 0.57 1.75 -1.13 0.51 0.00 0.00 175.35 177.58 1s81 n SER 146 N 2.31 0.20 0.00 2.83 3.41 -1.26 -4.63 113.62 116.48 1s81 n SER 146 Ca -0.14 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1s81 n SER 146 Cb 0.53 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1s81 n SER 146 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1s81 n SER 147 N -1.55 0.00 0.00 4.04 2.88 -1.26 -4.97 113.62 112.76 1s81 n SER 147 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1s81 n SER 147 Cb 0.34 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1s81 n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s81 n GLY 148 N 2.85 0.85 3.14 0.46 0.00 -1.26 -5.12 105.19 106.11 1s81 n GLY 148 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 1s81 n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s81 s SER 149 N -1.00 -0.30 -0.09 1.61 0.01 -1.26 -4.72 113.70 107.95 1s81 s SER 149 Ca 0.00 0.57 -0.03 0.00 1.31 0.00 0.00 55.95 57.80 1s81 s SER 149 Cb 0.00 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.81 1s81 s SER 149 CO 0.00 -0.12 0.17 -0.55 0.41 0.00 0.00 173.24 173.14 1s81 s SER 150 N 0.57 0.76 -0.30 2.44 0.15 -1.26 -4.93 113.70 111.13 1s81 s SER 150 Ca -0.03 0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.83 1s81 s SER 150 Cb -0.05 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1s81 s SER 150 CO -0.03 -0.25 0.19 -0.31 1.20 0.00 0.00 173.24 174.04 1s81 s TYR 151 N 2.30 3.21 0.57 3.44 1.51 -1.26 -1.21 117.35 125.90 1s81 s TYR 151 Ca 0.03 -0.09 -0.17 0.00 -1.01 0.00 0.00 57.07 55.84 1s81 s TYR 151 Cb -0.12 -2.39 -0.05 0.00 -0.11 0.00 0.00 41.96 39.29 1s81 s TYR 151 CO -0.06 -0.26 1.06 -1.25 -1.11 0.00 0.00 175.55 173.93 1s81 s PRO 152 N 1.72 3.39 0.11 -1.71 0.04 -1.26 -4.97 135.00 132.33 1s81 s PRO 152 Ca 0.06 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.27 1s81 s PRO 152 Cb -0.16 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 1s81 s PRO 152 CO 0.10 -0.76 1.29 0.66 0.04 0.00 0.00 177.00 178.33 1s81 h SER 153 N 0.67 0.78 -2.88 6.66 4.64 -1.94 -3.47 113.55 118.02 1s81 h SER 153 Ca -0.47 -0.57 -0.67 0.00 -0.47 0.00 0.00 61.79 59.60 1s81 h SER 153 Cb 1.22 -0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 62.98 1s81 h SER 153 CO 0.58 1.36 -0.53 -0.76 -0.87 0.00 0.00 176.83 176.61 1s81 s LEU 154 N -8.11 4.11 0.10 5.97 1.43 -1.26 -1.74 118.68 119.18 1s81 s LEU 154 Ca -0.08 0.35 -0.32 0.00 -1.03 0.00 0.00 54.13 53.04 1s81 s LEU 154 Cb 0.08 -2.01 -0.12 0.00 0.03 0.00 0.00 46.19 44.17 1s81 s LEU 154 CO 0.89 0.39 1.77 -0.11 0.23 0.00 0.00 176.35 179.53 1s81 n LEU 155 N 1.97 3.71 -4.90 1.79 7.94 -0.98 -4.89 117.00 121.64 1s81 n LEU 155 Ca -0.19 1.01 -0.32 0.00 -1.11 0.00 0.00 56.01 55.41 1s81 n LEU 155 Cb 0.54 -1.49 -0.04 0.00 0.53 0.00 0.00 43.42 42.96 1s81 n LEU 155 CO 0.31 0.03 -0.04 -1.10 -1.11 0.00 0.00 177.39 175.48 1s81 s GLN 156 N 2.40 3.56 0.09 1.96 -1.52 -0.89 -1.37 119.66 123.89 1s81 s GLN 156 Ca 0.82 -0.20 0.06 0.00 -1.95 0.00 0.00 55.36 54.10 1s81 s GLN 156 Cb -0.57 -2.93 -0.03 0.00 -0.22 0.00 0.00 33.01 29.26 1s81 s GLN 156 CO 0.39 0.53 -0.16 0.00 -0.25 0.00 0.00 175.29 175.80 1s81 s LEU 158 N -1.93 -0.30 -0.09 0.00 2.96 0.82 -1.36 118.68 118.78 1s81 s LEU 158 Ca 0.03 0.74 -0.27 0.00 -0.22 0.00 0.00 54.13 54.41 1s81 s LEU 158 Cb -0.09 0.98 -0.02 0.00 0.50 0.00 0.00 46.19 47.56 1s81 s LEU 158 CO 0.03 -0.22 0.88 -0.54 -1.32 0.00 0.00 176.35 175.18 1s81 s LYS 159 N 2.21 4.42 -0.06 1.98 -0.14 -1.26 -0.76 119.74 126.13 1s81 s LYS 159 Ca -0.02 1.17 -0.18 0.00 -1.36 0.00 0.00 55.97 55.58 1s81 s LYS 159 Cb -0.11 -3.51 0.04 0.00 -1.68 0.00 0.00 37.83 32.56 1s81 s LYS 159 CO -0.10 -0.18 0.41 0.00 -0.76 0.00 0.00 175.35 174.72 1s81 s ALA 160 N 1.57 -1.05 0.29 5.17 0.00 -0.48 -5.00 121.76 122.27 1s81 s ALA 160 Ca 0.44 0.73 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 1s81 s ALA 160 Cb -0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 1s81 s ALA 160 CO 0.18 -0.27 0.60 -1.25 0.00 0.00 0.00 175.76 175.03 1s81 s PRO 161 N -0.95 3.73 0.00 0.00 0.04 -1.26 -0.92 135.00 135.65 1s81 s PRO 161 Ca -0.10 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1s81 s PRO 161 Cb -0.04 -2.59 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 1s81 s PRO 161 CO 0.05 0.20 1.65 0.08 0.04 0.00 0.00 177.00 179.01 1s81 s VAL 162 N -2.04 3.36 0.52 -0.36 1.01 -0.38 -1.39 120.40 121.12 1s81 s VAL 162 Ca 0.47 0.62 -0.16 0.00 0.00 0.00 0.00 61.98 62.90 1s81 s VAL 162 Cb -0.11 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1s81 s VAL 162 CO 0.27 -0.03 0.99 -0.76 0.00 0.00 0.00 175.10 175.57 1s81 s LEU 163 N 3.40 3.60 0.25 3.92 1.43 0.07 -0.28 118.68 131.07 1s81 s LEU 163 Ca 0.74 1.57 -0.31 0.00 -1.03 0.00 0.00 54.13 55.10 1s81 s LEU 163 Cb -0.36 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.21 1s81 s LEU 163 CO 0.31 -0.62 1.30 -1.54 0.23 0.00 0.00 176.35 176.03 1s81 n SER 164 N -1.65 2.31 -0.20 2.29 3.41 -1.26 -4.65 113.62 113.87 1s81 n SER 164 Ca 0.07 1.16 0.22 0.00 -0.26 0.00 0.00 58.87 60.06 1s81 n SER 164 Cb 0.54 -1.38 0.60 0.00 -0.26 0.00 0.00 64.21 63.71 1s81 n SER 164 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1s81 h ASP 165 N 3.54 0.24 0.50 4.04 2.03 -1.95 0.55 116.42 125.38 1s81 h ASP 165 Ca -0.44 0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 55.86 1s81 h ASP 165 Cb 1.30 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1s81 h ASP 165 CO 0.71 0.09 -0.24 -1.28 -1.03 0.00 0.00 179.24 177.49 1s81 h SER 166 N 0.24 -0.57 -0.13 4.15 0.87 -1.98 -2.18 113.55 113.93 1s81 h SER 166 Ca 0.44 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 61.06 1s81 h SER 166 Cb 1.34 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.44 1s81 h SER 166 CO -0.11 -0.37 0.21 -1.28 -0.53 0.00 0.00 176.83 174.75 1s81 h SER 167 N -0.75 0.00 0.08 6.23 0.87 -1.37 0.75 113.55 119.36 1s81 h SER 167 Ca -0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1s81 h SER 167 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1s81 h SER 167 CO 0.11 0.00 -0.04 0.00 -0.53 0.00 0.00 176.83 176.37 1s81 h LYS 169 N -0.75 0.33 -0.30 0.00 1.57 -0.25 -2.30 116.57 114.86 1s81 h LYS 169 Ca -0.01 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1s81 h LYS 169 Cb 0.58 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1s81 h LYS 169 CO 0.02 0.51 -0.16 0.77 -0.57 0.00 0.00 179.45 180.01 1s81 h SER 170 N 0.30 0.52 0.56 0.86 0.02 -1.24 -3.03 113.55 111.55 1s81 h SER 170 Ca 0.05 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 1s81 h SER 170 Cb 0.50 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1s81 h SER 170 CO 0.03 0.71 -0.46 0.28 -1.14 0.00 0.00 176.83 176.25 1s81 h SER 171 N 0.49 0.00 -2.09 3.07 0.02 -1.44 -3.37 113.55 110.23 1s81 h SER 171 Ca 0.08 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.46 1s81 h SER 171 Cb 0.56 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.71 1s81 h SER 171 CO 0.04 0.46 -1.03 -1.22 -1.14 0.00 0.00 176.83 173.94 1s81 n TYR 172 N -3.85 0.02 -1.68 3.45 4.02 -1.12 -4.91 117.16 113.09 1s81 n TYR 172 Ca -0.01 -3.60 -0.48 0.00 -0.01 0.00 0.00 57.90 53.80 1s81 n TYR 172 Cb 0.50 -0.28 -0.05 0.00 -0.02 0.00 0.00 39.34 39.49 1s81 n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s81 n PRO 173 N 1.58 2.16 -1.00 -0.72 -0.02 -1.16 -1.62 135.00 134.21 1s81 n PRO 173 Ca 0.23 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1s81 n PRO 173 Cb 0.51 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1s81 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s81 n GLY 174 N 4.16 0.35 0.03 -1.23 0.00 -1.26 -4.89 105.19 102.34 1s81 n GLY 174 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1s81 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s81 n GLN 175 N -1.74 4.74 -3.44 1.61 6.02 -0.64 -4.95 117.38 118.98 1s81 n GLN 175 Ca 0.00 -0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.45 1s81 n GLN 175 Cb 0.16 -0.75 -0.10 0.00 1.02 0.00 0.00 30.24 30.56 1s81 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s81 s ILE 176 N -1.24 5.22 0.86 5.09 -1.09 -1.25 -5.02 121.20 123.77 1s81 s ILE 176 Ca 0.02 -0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 1s81 s ILE 176 Cb 0.03 -3.89 0.16 0.00 -1.58 0.00 0.00 42.46 37.18 1s81 s ILE 176 CO 0.15 -0.24 1.19 0.42 -1.23 0.00 0.00 174.94 175.23 1s81 s THR 177 N 1.83 2.07 -1.05 2.92 -4.23 -1.26 -4.96 115.64 110.95 1s81 s THR 177 Ca 0.08 -0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1s81 s THR 177 Cb -0.18 -2.86 0.07 0.00 1.34 0.00 0.00 72.50 70.87 1s81 s THR 177 CO 0.11 0.00 1.21 0.61 -0.54 0.00 0.00 174.62 176.01 1s81 n GLY 178 N -3.38 -0.72 1.43 3.99 0.00 -1.26 -2.55 105.19 102.70 1s81 n GLY 178 Ca 0.14 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1s81 n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s81 n ASN 179 N -1.47 4.43 -4.04 1.61 3.02 -1.26 -4.96 115.26 112.58 1s81 n ASN 179 Ca 0.02 -3.13 -0.13 0.00 -0.03 0.00 0.00 54.58 51.31 1s81 n ASN 179 Cb 0.08 -0.64 -0.12 0.00 -0.61 0.00 0.00 39.78 38.49 1s81 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s81 s MET 180 N -2.90 0.49 0.11 3.52 -1.94 -1.06 -1.32 119.30 116.20 1s81 s MET 180 Ca 0.49 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.82 1s81 s MET 180 Cb 0.39 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.93 1s81 s MET 180 CO 0.11 0.05 -0.08 0.96 -0.01 0.00 0.00 175.02 176.04 1s81 s ILE 181 N -1.25 0.84 -0.08 2.53 -4.36 -0.27 -4.81 121.20 113.79 1s81 s ILE 181 Ca -0.09 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1s81 s ILE 181 Cb -0.09 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 1s81 s ILE 181 CO 0.00 -0.79 -0.02 0.00 0.24 0.00 0.00 174.94 174.37 1s81 s VAL 183 N -0.83 0.22 -2.13 0.00 1.01 -1.09 -0.75 120.40 116.82 1s81 s VAL 183 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1s81 s VAL 183 Cb -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1s81 s VAL 183 CO 0.02 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1s81 n GLY 184 N 3.94 0.56 2.95 4.51 0.00 -0.49 -3.77 105.19 112.89 1s81 n GLY 184 Ca -0.25 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1s81 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s81 s PHE 184 N -3.70 -0.32 0.33 1.61 0.40 -1.26 -4.27 117.98 110.77 1s81 s PHE 184 Ca 0.00 0.81 0.27 0.00 -0.60 0.00 0.00 56.93 57.41 1s81 s PHE 184 Cb 0.00 -0.11 1.33 0.00 0.51 0.00 0.00 43.02 44.75 1s81 s PHE 184 CO 0.00 -0.31 2.01 -0.07 0.70 0.00 0.00 175.22 177.55 1s81 h LEU 185 N 8.16 0.00 0.00 -0.37 3.38 -1.95 -2.73 115.31 121.79 1s81 h LEU 185 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1s81 h LEU 185 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1s81 h LEU 185 CO 0.17 0.14 0.00 -1.84 0.09 0.00 0.00 178.44 177.01 1s81 n GLU 186 N -3.52 0.02 0.00 1.13 0.00 -1.26 -0.53 120.64 116.48 1s81 n GLU 186 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1s81 n GLU 186 Cb 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.23 1s81 n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s81 n GLY 187 N 0.42 -1.09 2.03 -1.84 0.00 -1.03 -4.51 105.19 99.17 1s81 n GLY 187 Ca 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1s81 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s81 n GLY 188 N -0.94 2.32 2.57 -0.02 0.00 0.15 -4.96 105.19 104.31 1s81 n GLY 188 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1s81 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s81 s LYS 188 N -0.40 0.22 0.22 1.61 1.02 -1.26 -3.27 119.74 117.88 1s81 s LYS 188 Ca 0.00 -0.48 -0.18 0.00 0.02 0.00 0.00 55.97 55.33 1s81 s LYS 188 Cb 0.00 -1.08 0.02 0.00 -0.52 0.00 0.00 37.83 36.25 1s81 s LYS 188 CO 0.00 -1.02 0.57 0.34 -0.92 0.00 0.00 175.35 174.31 1s81 s ASP 189 N 2.12 -0.26 0.62 2.83 2.15 -0.81 -4.31 116.67 119.01 1s81 s ASP 189 Ca 0.09 -0.54 -0.10 0.00 0.43 0.00 0.00 52.55 52.43 1s81 s ASP 189 Cb -0.16 0.62 -0.03 0.00 -0.30 0.00 0.00 42.92 43.05 1s81 s ASP 189 CO -0.36 -1.13 1.02 -0.94 -0.17 0.00 0.00 175.17 173.59 1s81 s SER 190 N -2.90 6.12 0.34 -0.34 1.04 -1.26 -1.13 113.70 115.57 1s81 s SER 190 Ca 0.11 1.33 0.07 0.00 0.48 0.00 0.00 55.95 57.94 1s81 s SER 190 Cb -0.02 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 1s81 s SER 190 CO 0.00 -0.91 0.30 0.00 0.98 0.00 0.00 173.24 173.61 1s81 n GLN 192 N -0.64 1.10 0.00 0.00 -0.00 -1.26 -1.19 117.38 115.39 1s81 n GLN 192 Ca 0.08 0.40 0.00 0.00 -0.00 0.00 0.00 57.00 57.47 1s81 n GLN 192 Cb 0.62 -1.97 0.00 0.00 -0.00 0.00 0.00 30.24 28.89 1s81 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s81 n GLY 193 N 2.29 2.71 0.16 2.61 0.00 -1.26 -1.11 105.19 110.60 1s81 n GLY 193 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1s81 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s81 h ASP 194 N 0.00 0.00 -0.58 1.61 3.32 -1.45 -3.31 116.42 116.01 1s81 h ASP 194 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 1s81 h ASP 194 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 1s81 h ASP 194 CO 0.00 0.25 -0.07 -1.20 -1.72 0.00 0.00 179.24 176.50 1s81 n SER 195 N -3.05 -0.22 0.00 6.45 7.64 -1.24 -0.88 113.62 122.32 1s81 n SER 195 Ca 0.01 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1s81 n SER 195 Cb 0.64 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1s81 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s81 n GLY 196 N 0.95 2.72 3.95 0.23 0.00 0.30 -0.45 105.19 112.90 1s81 n GLY 196 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1s81 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s81 s GLY 197 N -2.00 1.79 0.33 -0.02 0.00 -0.06 -3.41 107.32 103.96 1s81 s GLY 197 Ca 0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 44.72 43.09 1s81 s GLY 197 CO 0.00 -0.69 0.83 2.56 0.00 0.00 0.00 173.10 175.81 1s81 s PRO 198 N -5.71 4.22 -0.19 2.90 0.04 -1.26 -0.87 135.00 134.13 1s81 s PRO 198 Ca 0.73 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1s81 s PRO 198 Cb -0.03 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 32.04 1s81 s PRO 198 CO 0.51 0.17 -0.10 0.08 0.04 0.00 0.00 177.00 177.70 1s81 s VAL 199 N -1.89 1.60 -0.10 -0.36 1.01 -0.56 -3.32 120.40 116.78 1s81 s VAL 199 Ca 0.54 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1s81 s VAL 199 Cb -0.13 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1s81 s VAL 199 CO 0.18 0.20 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 1s81 s VAL 200 N 1.42 1.68 -0.07 2.92 1.01 -0.65 -1.29 120.40 125.43 1s81 s VAL 200 Ca -0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1s81 s VAL 200 Cb -0.16 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1s81 s VAL 200 CO -0.08 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 1s81 n ASN 202 N 4.84 -0.43 -0.01 0.00 3.02 -1.26 -1.52 115.26 119.91 1s81 n ASN 202 Ca -0.12 -1.16 -0.00 0.00 -0.03 0.00 0.00 54.58 53.27 1s81 n ASN 202 Cb 0.50 -2.19 -0.00 0.00 -0.61 0.00 0.00 39.78 37.48 1s81 n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s81 n GLY 203 N -2.02 0.48 3.20 7.41 0.00 -1.26 -5.01 105.19 107.98 1s81 n GLY 203 Ca -0.20 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 1s81 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s81 s GLN 204 N -0.33 1.65 -0.72 1.61 -0.21 -0.57 -3.93 119.66 117.17 1s81 s GLN 204 Ca 0.00 -0.70 -0.27 0.00 0.02 0.00 0.00 55.36 54.42 1s81 s GLN 204 Cb 0.00 -1.56 0.01 0.00 1.00 0.00 0.00 33.01 32.46 1s81 s GLN 204 CO 0.00 0.40 1.51 -1.17 -2.12 0.00 0.00 175.29 173.91 1s81 s LEU 209 N -0.38 3.22 -0.04 2.90 2.96 -0.21 -0.85 118.68 126.28 1s81 s LEU 209 Ca 0.06 -0.25 0.21 0.00 -0.22 0.00 0.00 54.13 53.93 1s81 s LEU 209 Cb -0.08 -2.55 -0.27 0.00 0.50 0.00 0.00 46.19 43.79 1s81 s LEU 209 CO -0.00 -2.04 0.47 0.00 -1.32 0.00 0.00 176.35 173.46 1s81 n GLN 210 N 9.27 0.66 -4.05 1.98 1.13 -0.41 -3.96 117.38 122.00 1s81 n GLN 210 Ca 0.12 -0.09 -0.08 0.00 -1.94 0.00 0.00 57.00 55.00 1s81 n GLN 210 Cb 0.50 -1.57 -0.10 0.00 0.11 0.00 0.00 30.24 29.17 1s81 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s81 s GLY 211 N -4.75 0.41 -0.09 1.08 0.00 -0.98 -1.91 107.32 101.08 1s81 s GLY 211 Ca -0.07 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.71 1s81 s GLY 211 CO 0.87 -1.05 -0.13 -0.42 0.00 0.00 0.00 173.10 172.38 1s81 s ILE 212 N -2.79 1.27 -0.06 0.90 1.01 -1.08 -1.50 121.20 118.96 1s81 s ILE 212 Ca -0.02 -0.52 -0.34 0.00 0.00 0.00 0.00 60.65 59.77 1s81 s ILE 212 Cb -0.00 -1.18 -0.12 0.00 0.01 0.00 0.00 42.46 41.17 1s81 s ILE 212 CO -0.05 0.39 1.88 0.52 0.00 0.00 0.00 174.94 177.68 1s81 n VAL 213 N 4.15 0.57 0.00 2.92 0.31 -0.05 -1.58 118.33 124.65 1s81 n VAL 213 Ca -0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1s81 n VAL 213 Cb 0.51 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1s81 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s81 n SER 214 N 6.57 0.00 -3.54 4.52 2.88 -1.13 -0.54 113.62 122.38 1s81 n SER 214 Ca 0.22 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 1s81 n SER 214 Cb 0.31 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.72 1s81 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1s81 s TRP 215 N -0.34 0.85 0.00 0.66 1.48 -0.63 -4.92 118.94 116.04 1s81 s TRP 215 Ca 0.00 -1.13 0.00 0.00 -1.06 0.00 0.00 56.10 53.91 1s81 s TRP 215 Cb 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.28 1s81 s TRP 215 CO 0.00 -1.06 0.00 0.41 -4.06 0.00 0.00 176.95 172.24 1s81 n GLY 216 N -0.48 1.09 2.77 3.67 0.00 -1.26 -0.94 105.19 110.04 1s81 n GLY 216 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1s81 n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s81 s TYR 217 N -1.96 2.23 0.00 1.61 5.04 -1.26 -5.04 117.35 117.98 1s81 s TYR 217 Ca 0.00 -2.42 0.00 0.00 -2.44 0.00 0.00 57.07 52.21 1s81 s TYR 217 Cb 0.00 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.25 1s81 s TYR 217 CO 0.00 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.81 1s81 n GLY 219 N 3.84 1.61 3.25 8.97 0.00 -1.26 -4.73 105.19 116.87 1s81 n GLY 219 Ca 0.05 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1s81 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s81 n ALA 221 N 1.52 -0.07 -1.76 0.00 0.00 -1.26 -4.93 120.51 114.00 1s81 n ALA 221 Ca -0.20 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 1s81 n ALA 221 Cb 0.56 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1s81 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s81 s GLN 221 N -2.11 3.66 0.18 0.00 -0.21 -1.26 -0.68 119.66 119.24 1s81 s GLN 221 Ca 0.00 1.30 -0.33 0.00 0.02 0.00 0.00 55.36 56.35 1s81 s GLN 221 Cb 0.00 -2.08 -0.12 0.00 1.00 0.00 0.00 33.01 31.81 1s81 s GLN 221 CO 0.00 -0.54 1.70 1.17 -2.12 0.00 0.00 175.29 175.49 1s81 n LYS 222 N -1.32 2.59 -1.99 2.91 4.81 -1.26 -2.85 118.16 121.05 1s81 n LYS 222 Ca 0.09 0.94 -0.21 0.00 -0.87 0.00 0.00 58.31 58.26 1s81 n LYS 222 Cb 0.53 -2.77 -0.05 0.00 0.02 0.00 0.00 35.03 32.76 1s81 n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s81 n ASN 223 N 4.04 -5.67 -3.26 3.14 3.02 0.31 -4.93 115.26 111.91 1s81 n ASN 223 Ca 0.17 0.25 -0.25 0.00 -0.03 0.00 0.00 54.58 54.72 1s81 n ASN 223 Cb 0.33 -4.84 -0.07 0.00 -0.61 0.00 0.00 39.78 34.59 1s81 n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s81 n LYS 224 N -2.69 1.59 -1.79 3.52 4.76 -1.13 -4.73 118.16 117.69 1s81 n LYS 224 Ca -0.23 -3.90 -0.34 0.00 -2.87 0.00 0.00 58.31 50.98 1s81 n LYS 224 Cb 0.68 -1.72 0.05 0.00 -1.84 0.00 0.00 35.03 32.20 1s81 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s81 s PRO 225 N -1.92 2.75 0.50 1.97 0.04 -1.26 -4.50 135.00 132.58 1s81 s PRO 225 Ca 0.38 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 1s81 s PRO 225 Cb 0.18 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 1s81 s PRO 225 CO -0.07 -1.32 1.26 0.41 0.04 0.00 0.00 177.00 177.32 1s81 n GLY 226 N -0.08 0.51 3.33 0.56 0.00 -1.25 -4.81 105.19 103.46 1s81 n GLY 226 Ca 0.12 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1s81 n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s81 s VAL 227 N -1.28 2.74 0.03 1.61 1.01 -0.12 -2.69 120.40 121.70 1s81 s VAL 227 Ca 0.67 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1s81 s VAL 227 Cb -0.46 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1s81 s VAL 227 CO 0.53 0.54 -0.19 -0.31 0.00 0.00 0.00 175.10 175.67 1s81 s TYR 228 N 0.29 1.63 0.09 5.22 1.51 0.30 -1.61 117.35 124.78 1s81 s TYR 228 Ca -0.12 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.28 1s81 s TYR 228 Cb -0.16 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.62 1s81 s TYR 228 CO 0.06 0.05 1.45 0.99 -1.11 0.00 0.00 175.55 177.00 1s81 s THR 229 N -0.72 3.28 -1.05 -0.71 2.01 -0.62 -1.12 115.64 116.72 1s81 s THR 229 Ca 0.06 0.85 -0.22 0.00 0.31 0.00 0.00 61.69 62.69 1s81 s THR 229 Cb -0.08 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.92 1s81 s THR 229 CO 0.01 0.04 1.55 -0.75 -0.69 0.00 0.00 174.62 174.78 1s81 s LYS 230 N 1.64 3.53 0.59 4.92 2.20 -0.43 -2.62 119.74 129.57 1s81 s LYS 230 Ca 0.66 -1.17 0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1s81 s LYS 230 Cb -0.37 -5.36 1.74 0.00 -1.51 0.00 0.00 37.83 32.34 1s81 s LYS 230 CO 0.30 -2.36 2.17 0.28 -0.36 0.00 0.00 175.35 175.38 1s81 h VAL 231 N 6.65 0.49 0.00 4.02 2.07 -1.66 -2.21 116.25 125.61 1s81 h VAL 231 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1s81 h VAL 231 Cb 0.99 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1s81 h VAL 231 CO 1.41 0.00 0.00 0.00 0.02 0.00 0.00 177.57 179.00 1s81 n ASN 233 N -1.65 0.50 -0.30 0.00 3.02 -0.83 -4.42 115.26 111.57 1s81 n ASN 233 Ca 0.03 -0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.57 1s81 n ASN 233 Cb 0.18 0.12 0.06 0.00 -0.61 0.00 0.00 39.78 39.53 1s81 n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1s81 n TYR 234 N -1.68 0.14 -0.26 3.10 4.01 -0.73 -4.70 117.16 117.03 1s81 n TYR 234 Ca 0.05 -0.27 -0.06 0.00 -0.16 0.00 0.00 57.90 57.47 1s81 n TYR 234 Cb 0.37 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.46 1s81 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s81 h VAL 235 N 1.16 1.26 0.02 -0.72 2.07 -1.77 -0.55 116.25 117.72 1s81 h VAL 235 Ca 0.00 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1s81 h VAL 235 Cb 0.46 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1s81 h VAL 235 CO 0.00 0.34 -0.01 0.78 0.02 0.00 0.00 177.57 178.70 1s81 h ASN 236 N 1.10 -0.03 -0.54 0.57 2.35 -1.93 -1.02 115.58 116.09 1s81 h ASN 236 Ca 0.25 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1s81 h ASN 236 Cb 0.26 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1s81 h ASN 236 CO -0.01 0.09 0.30 -0.25 -1.65 0.00 0.00 177.43 175.91 1s81 h TRP 237 N -0.14 0.56 -0.22 1.19 7.01 -1.83 -0.15 115.95 122.36 1s81 h TRP 237 Ca -0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1s81 h TRP 237 Cb 0.13 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1s81 h TRP 237 CO -0.04 0.30 0.12 0.82 -2.79 0.00 0.00 178.44 176.85 1s81 h ILE 238 N 0.59 1.02 -0.37 2.65 2.04 -0.97 -1.78 117.51 120.70 1s81 h ILE 238 Ca 0.23 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.86 1s81 h ILE 238 Cb 0.08 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1s81 h ILE 238 CO -0.13 0.05 -0.31 -0.61 0.00 0.00 0.00 178.15 177.15 1s81 h GLN 239 N 0.26 0.80 -0.47 2.37 5.75 -0.71 -1.81 115.11 121.29 1s81 h GLN 239 Ca 0.09 -0.38 -0.03 0.00 -0.15 0.00 0.00 58.65 58.18 1s81 h GLN 239 Cb 0.00 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1s81 h GLN 239 CO -0.04 1.01 0.19 1.96 -2.65 0.00 0.00 178.83 179.30 1s81 h GLN 240 N 0.68 0.71 -0.24 1.69 4.20 -1.01 -0.87 115.11 120.26 1s81 h GLN 240 Ca 0.07 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1s81 h GLN 240 Cb 0.86 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1s81 h GLN 240 CO 0.08 0.63 -0.06 1.15 -0.67 0.00 0.00 178.83 179.96 1s81 h THR 241 N 0.63 1.28 -0.19 -0.54 2.02 -1.18 -1.28 112.91 113.64 1s81 h THR 241 Ca 0.16 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.32 1s81 h THR 241 Cb 0.18 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1s81 h THR 241 CO -0.01 0.33 -0.04 0.40 0.37 0.00 0.00 175.52 176.57 1s81 h ILE 242 N 0.21 0.82 -0.39 3.11 2.04 -1.30 -2.39 117.51 119.61 1s81 h ILE 242 Ca 0.06 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1s81 h ILE 242 Cb 0.52 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1s81 h ILE 242 CO 0.02 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.44 1s81 h ALA 243 N 1.19 1.78 0.00 1.87 0.00 -0.92 -2.92 119.26 120.26 1s81 h ALA 243 Ca 0.09 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1s81 h ALA 243 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1s81 h ALA 243 CO -0.19 0.19 -0.95 0.00 0.00 0.00 0.00 179.25 178.30 1s81 h ALA 244 N 1.76 0.44 -0.00 0.00 0.00 -1.00 -3.51 119.26 116.95 1s81 h ALA 244 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1s81 h ALA 244 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1s81 h ALA 244 CO -0.04 1.18 0.00 0.09 0.00 0.00 0.00 179.25 180.48