#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5s s VAL 17 N 0.00 5.35 -0.17 1.39 1.01 0.17 -4.07 120.40 124.08 1s5s s VAL 17 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1s5s s VAL 17 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1s5s s VAL 17 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1s5s n GLY 18 N 2.86 0.52 0.00 4.51 0.00 -1.21 -1.37 105.19 110.51 1s5s n GLY 18 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1s5s n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5s n GLY 19 N -2.71 1.37 3.12 -0.02 0.00 -1.26 -4.83 105.19 100.86 1s5s n GLY 19 Ca -0.02 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 1s5s n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s5s s TYR 20 N 1.35 0.70 -0.10 1.61 1.13 -0.46 -4.96 117.35 116.62 1s5s s TYR 20 Ca 0.00 -1.10 -0.30 0.00 -1.41 0.00 0.00 57.07 54.27 1s5s s TYR 20 Cb 0.00 -0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 40.38 1s5s s TYR 20 CO 0.00 -0.38 1.34 0.99 -2.51 0.00 0.00 175.55 174.98 1s5s s THR 21 N -3.91 4.07 0.66 -3.49 2.01 -1.26 -0.72 115.64 112.99 1s5s s THR 21 Ca 0.13 1.34 -0.18 0.00 0.31 0.00 0.00 61.69 63.30 1s5s s THR 21 Cb 0.07 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1s5s s THR 21 CO -0.05 -0.08 1.24 0.00 -0.69 0.00 0.00 174.62 175.04 1s5s n ALA 23 N -2.02 1.75 -1.68 0.00 0.00 -1.26 -4.86 120.51 112.44 1s5s n ALA 23 Ca 0.16 0.29 -0.45 0.00 0.00 0.00 0.00 53.44 53.43 1s5s n ALA 23 Cb 0.48 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 1s5s n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5s n ALA 24 N 0.03 1.55 -1.25 0.00 0.00 -1.26 -1.58 120.51 118.00 1s5s n ALA 24 Ca 0.05 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.81 1s5s n ALA 24 Cb 0.39 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.39 1s5s n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s5s n ASN 25 N 4.13 -5.08 0.00 0.00 4.13 -1.26 -4.86 115.26 112.32 1s5s n ASN 25 Ca 0.18 0.21 0.14 0.00 1.68 0.00 0.00 54.58 56.79 1s5s n ASN 25 Cb 0.30 -3.33 0.71 0.00 -1.54 0.00 0.00 39.78 35.92 1s5s n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s5s n SER 26 N -0.65 0.00 -3.27 6.41 3.41 -0.61 -3.88 113.62 115.02 1s5s n SER 26 Ca -0.09 0.05 -0.26 0.00 -0.26 0.00 0.00 58.87 58.31 1s5s n SER 26 Cb 0.46 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 1s5s n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s5s n ILE 27 N -1.35 2.20 0.35 -1.33 2.08 -1.26 -4.97 119.36 115.08 1s5s n ILE 27 Ca 0.12 -5.19 0.12 0.00 0.56 0.00 0.00 62.75 58.36 1s5s n ILE 27 Cb 0.27 -1.85 0.51 0.00 -0.75 0.00 0.00 39.64 37.82 1s5s n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s5s n PRO 28 N 0.60 0.19 0.02 0.38 -0.04 -1.25 -1.39 135.00 133.51 1s5s n PRO 28 Ca 0.29 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.34 1s5s n PRO 28 Cb 0.42 -1.90 0.34 0.00 -0.04 0.00 0.00 33.50 32.33 1s5s n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s5s n TYR 29 N -2.26 0.21 -2.38 0.54 0.18 -1.13 -1.98 117.16 110.34 1s5s n TYR 29 Ca 0.01 0.06 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 1s5s n TYR 29 Cb 0.20 -0.47 -0.03 0.00 -0.38 0.00 0.00 39.34 38.66 1s5s n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s5s s GLN 30 N -3.05 4.40 0.28 -3.48 2.00 -0.49 -1.00 119.66 118.32 1s5s s GLN 30 Ca 0.11 1.81 0.11 0.00 -2.00 0.00 0.00 55.36 55.38 1s5s s GLN 30 Cb 0.16 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.54 1s5s s GLN 30 CO 0.65 -0.33 -0.10 0.14 -0.50 0.00 0.00 175.29 175.15 1s5s s VAL 31 N 1.34 2.83 -0.16 1.34 -7.23 -0.54 -4.42 120.40 113.55 1s5s s VAL 31 Ca 0.59 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1s5s s VAL 31 Cb -0.30 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 1s5s s VAL 31 CO 0.28 -0.36 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.15 1s5s s SER 32 N -3.60 4.97 -0.18 4.85 0.15 -0.52 -2.33 113.70 117.04 1s5s s SER 32 Ca 0.31 -0.09 -0.16 0.00 0.70 0.00 0.00 55.95 56.72 1s5s s SER 32 Cb -0.05 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 1s5s s SER 32 CO 0.17 0.16 0.38 -0.76 1.20 0.00 0.00 173.24 174.40 1s5s s LEU 33 N 0.40 4.19 -0.09 3.45 1.43 0.23 -0.54 118.68 127.75 1s5s s LEU 33 Ca -0.02 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1s5s s LEU 33 Cb -0.14 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1s5s s LEU 33 CO 0.02 -0.03 -0.18 0.21 0.23 0.00 0.00 176.35 176.61 1s5s s ASN 34 N 0.87 2.43 -0.56 2.29 3.84 0.12 -1.00 114.94 122.94 1s5s s ASN 34 Ca 0.19 -0.43 0.05 0.00 0.21 0.00 0.00 52.86 52.88 1s5s s ASN 34 Cb -0.14 -1.11 0.18 0.00 -0.55 0.00 0.00 41.25 39.62 1s5s s ASN 34 CO 0.07 0.08 0.45 -0.24 -2.79 0.00 0.00 177.10 174.67 1s5s n SER 37 N 3.77 1.40 0.00 -4.21 2.88 -1.26 -1.19 113.62 115.02 1s5s n SER 37 Ca -0.21 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 1s5s n SER 37 Cb 0.52 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1s5s n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s5s n GLY 38 N 2.23 1.91 3.52 0.46 0.00 -1.26 -4.82 105.19 107.22 1s5s n GLY 38 Ca 0.25 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1s5s n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5s s SER 39 N 0.05 -0.07 0.23 1.61 1.04 -1.26 -5.14 113.70 110.16 1s5s s SER 39 Ca 0.00 -0.89 -0.32 0.00 0.48 0.00 0.00 55.95 55.22 1s5s s SER 39 Cb 0.00 0.55 -0.13 0.00 0.10 0.00 0.00 66.02 66.54 1s5s s SER 39 CO 0.00 -1.07 1.56 1.57 0.98 0.00 0.00 173.24 176.28 1s5s n HIS 40 N -0.34 2.50 0.00 5.02 -0.00 -1.26 -4.34 115.22 116.80 1s5s n HIS 40 Ca -0.03 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1s5s n HIS 40 Cb 0.62 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.93 1s5s n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s5s n PHE 41 N 2.71 0.00 -3.59 1.57 -1.74 -0.17 -4.92 117.46 111.32 1s5s n PHE 41 Ca 0.13 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.92 1s5s n PHE 41 Cb 0.33 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.31 1s5s n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s5s s GLY 43 N -2.82 1.76 0.16 0.00 0.00 0.34 -0.60 107.32 106.16 1s5s s GLY 43 Ca 0.05 -1.86 -0.23 0.00 0.00 0.00 0.00 44.72 42.68 1s5s s GLY 43 CO -0.05 -1.33 1.05 -0.32 0.00 0.00 0.00 173.10 172.44 1s5s s GLY 44 N -4.70 0.03 -0.05 0.20 0.00 -0.98 -3.64 107.32 98.17 1s5s s GLY 44 Ca 0.65 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.17 1s5s s GLY 44 CO 0.42 2.13 -0.09 -0.56 0.00 0.00 0.00 173.10 175.00 1s5s s SER 45 N -3.34 1.44 -0.23 1.64 0.01 -0.30 -1.46 113.70 111.46 1s5s s SER 45 Ca 0.20 -0.23 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1s5s s SER 45 Cb -0.02 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.55 1s5s s SER 45 CO 0.04 0.01 1.12 -0.22 0.41 0.00 0.00 173.24 174.60 1s5s s LEU 46 N 0.71 4.08 0.00 2.44 2.96 -0.17 -0.82 118.68 127.87 1s5s s LEU 46 Ca -0.13 1.40 0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1s5s s LEU 46 Cb -0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1s5s s LEU 46 CO 0.02 -0.75 0.23 2.30 -1.32 0.00 0.00 176.35 176.83 1s5s n ILE 47 N 5.47 0.00 -3.61 6.68 -5.35 -0.56 -1.51 119.36 120.48 1s5s n ILE 47 Ca 0.13 -0.41 -0.11 0.00 -0.27 0.00 0.00 62.75 62.09 1s5s n ILE 47 Cb 0.46 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 1s5s n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1s5s s ASN 48 N -1.27 -0.28 0.60 7.28 3.84 -1.10 -4.72 114.94 119.29 1s5s s ASN 48 Ca 0.02 -0.26 0.30 0.00 0.21 0.00 0.00 52.86 53.13 1s5s s ASN 48 Cb 0.03 0.49 1.67 0.00 -0.55 0.00 0.00 41.25 42.89 1s5s s ASN 48 CO 0.16 -0.86 2.07 0.77 -2.79 0.00 0.00 177.10 176.45 1s5s h SER 49 N 2.36 0.00 -0.08 -4.21 4.64 -1.96 -2.30 113.55 111.99 1s5s h SER 49 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1s5s h SER 49 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s5s h SER 49 CO 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 1s5s n GLN 50 N -3.67 1.00 -3.85 4.77 6.02 -1.26 -0.43 117.38 119.96 1s5s n GLN 50 Ca 0.02 -1.33 -0.13 0.00 -0.01 0.00 0.00 57.00 55.55 1s5s n GLN 50 Cb 0.36 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 30.26 1s5s n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s5s s TRP 51 N -0.91 0.04 -0.05 1.08 0.52 -0.87 -0.76 118.94 117.99 1s5s s TRP 51 Ca 0.14 0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.33 1s5s s TRP 51 Cb 0.09 -0.10 -0.03 0.00 -1.15 0.00 0.00 33.47 32.28 1s5s s TRP 51 CO 0.14 -0.03 -0.12 0.08 0.02 0.00 0.00 176.95 177.03 1s5s s VAL 52 N 0.38 3.23 -0.06 4.03 1.01 -0.24 -1.50 120.40 127.25 1s5s s VAL 52 Ca -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1s5s s VAL 52 Cb -0.05 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1s5s s VAL 52 CO -0.01 0.59 -0.01 0.54 0.00 0.00 0.00 175.10 176.21 1s5s s VAL 53 N -0.75 4.17 0.00 2.92 0.11 -0.00 -0.97 120.40 125.87 1s5s s VAL 53 Ca 0.12 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1s5s s VAL 53 Cb -0.11 -2.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 1s5s s VAL 53 CO 0.01 0.55 0.00 -0.24 -3.33 0.00 0.00 175.10 172.09 1s5s n SER 54 N 1.99 0.00 -4.88 3.54 2.88 0.13 -1.14 113.62 116.14 1s5s n SER 54 Ca -0.18 -0.59 -0.37 0.00 -1.33 0.00 0.00 58.87 56.41 1s5s n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1s5s n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s5s s ALA 55 N -1.54 3.86 0.50 -1.46 0.00 -1.26 -1.23 121.76 120.64 1s5s s ALA 55 Ca 0.00 -0.60 0.24 0.00 0.00 0.00 0.00 51.96 51.60 1s5s s ALA 55 Cb 0.00 -2.02 1.48 0.00 0.00 0.00 0.00 23.12 22.58 1s5s s ALA 55 CO 0.00 0.61 2.14 0.00 0.00 0.00 0.00 175.76 178.51 1s5s h ALA 56 N 4.84 1.55 0.00 0.00 0.00 -1.68 -1.90 119.26 122.07 1s5s h ALA 56 Ca -0.54 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1s5s h ALA 56 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1s5s h ALA 56 CO 0.59 0.09 0.00 -2.39 0.00 0.00 0.00 179.25 177.54 1s5s n HIS 57 N -3.97 0.30 1.91 0.00 1.44 -1.26 -1.18 115.22 112.46 1s5s n HIS 57 Ca -0.03 0.11 0.15 0.00 -2.01 0.00 0.00 57.72 55.94 1s5s n HIS 57 Cb 0.16 -0.68 0.83 0.00 0.12 0.00 0.00 29.99 30.43 1s5s n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s5s n TYR 59 N -0.78 2.09 -4.03 0.00 9.36 -0.33 -5.00 117.16 118.47 1s5s n TYR 59 Ca 0.22 0.42 -0.10 0.00 3.32 0.00 0.00 57.90 61.76 1s5s n TYR 59 Cb 0.14 -2.46 -0.11 0.00 -0.63 0.00 0.00 39.34 36.29 1s5s n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s5s s LYS 60 N -0.02 0.45 0.43 2.98 1.02 -1.26 -5.07 119.74 118.26 1s5s s LYS 60 Ca 0.72 -0.80 0.26 0.00 0.02 0.00 0.00 55.97 56.17 1s5s s LYS 60 Cb -0.69 0.01 0.72 0.00 -0.52 0.00 0.00 37.83 37.36 1s5s s LYS 60 CO 0.47 -0.04 1.74 0.66 -0.92 0.00 0.00 175.35 177.26 1s5s h SER 61 N 4.24 0.00 -3.24 2.83 4.64 -2.01 -3.42 113.55 116.60 1s5s h SER 61 Ca -0.33 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.45 1s5s h SER 61 Cb 1.19 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.93 1s5s h SER 61 CO 0.47 0.00 -0.81 -0.13 -0.87 0.00 0.00 176.83 175.49 1s5s s ARG 62 N -3.32 1.70 -0.01 4.77 0.52 -1.26 -5.01 118.95 116.33 1s5s s ARG 62 Ca 0.06 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1s5s s ARG 62 Cb 0.07 -1.62 0.01 0.00 0.52 0.00 0.00 34.95 33.93 1s5s s ARG 62 CO 0.61 -0.18 0.03 0.42 0.02 0.00 0.00 175.30 176.19 1s5s s ILE 63 N 1.38 -0.02 -0.21 1.52 1.01 -1.26 -4.80 121.20 118.82 1s5s s ILE 63 Ca -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1s5s s ILE 63 Cb -0.13 -0.05 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 1s5s s ILE 63 CO -0.05 0.03 0.07 -1.58 0.00 0.00 0.00 174.94 173.40 1s5s s GLN 64 N 0.35 3.85 -0.12 2.79 0.74 -0.33 -0.89 119.66 126.05 1s5s s GLN 64 Ca -0.03 -0.40 -0.19 0.00 0.05 0.00 0.00 55.36 54.79 1s5s s GLN 64 Cb -0.04 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 1s5s s GLN 64 CO -0.01 0.09 0.52 0.08 -0.55 0.00 0.00 175.29 175.42 1s5s s VAL 65 N 0.87 5.16 -0.32 1.34 1.01 0.42 -0.70 120.40 128.17 1s5s s VAL 65 Ca 0.04 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 1s5s s VAL 65 Cb -0.14 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.44 1s5s s VAL 65 CO 0.02 0.30 0.05 -0.13 0.00 0.00 0.00 175.10 175.34 1s5s s ARG 66 N 0.73 2.43 0.20 2.72 0.52 0.30 -0.71 118.95 125.14 1s5s s ARG 66 Ca 0.28 -1.31 0.04 0.00 -0.52 0.00 0.00 55.73 54.22 1s5s s ARG 66 Cb -0.16 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1s5s s ARG 66 CO 0.12 -0.68 0.31 -0.51 0.02 0.00 0.00 175.30 174.56 1s5s s LEU 67 N 1.27 4.26 -0.64 2.53 1.02 -0.10 -1.44 118.68 125.58 1s5s s LEU 67 Ca -0.03 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.19 1s5s s LEU 67 Cb -0.20 -2.82 0.00 0.00 0.02 0.00 0.00 46.19 43.19 1s5s s LEU 67 CO -0.01 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.96 1s5s n GLY 69 N -1.03 0.82 3.82 -3.19 0.00 -1.26 -1.16 105.19 103.19 1s5s n GLY 69 Ca -0.08 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1s5s n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s5s s GLU 70 N -2.18 4.27 0.11 1.61 0.41 -1.26 -3.77 118.70 117.89 1s5s s GLU 70 Ca 0.00 1.03 0.00 0.00 -0.41 0.00 0.00 54.97 55.59 1s5s s GLU 70 Cb 0.00 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 1s5s s GLU 70 CO 0.00 0.16 0.00 1.58 -0.49 0.00 0.00 175.26 176.51 1s5s n HIS 71 N -0.07 -0.41 -2.93 1.61 -0.00 -1.26 -4.62 115.22 107.54 1s5s n HIS 71 Ca 0.03 0.07 -0.43 0.00 -0.00 0.00 0.00 57.72 57.40 1s5s n HIS 71 Cb 0.52 0.12 -0.05 0.00 -0.00 0.00 0.00 29.99 30.58 1s5s n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s5s s ASN 72 N -5.57 6.39 0.05 0.26 3.84 -1.26 -2.24 114.94 116.42 1s5s s ASN 72 Ca 0.00 -0.19 0.19 0.00 0.21 0.00 0.00 52.86 53.06 1s5s s ASN 72 Cb 0.00 -2.40 0.78 0.00 -0.55 0.00 0.00 41.25 39.09 1s5s s ASN 72 CO 0.00 -1.00 1.59 2.30 -2.79 0.00 0.00 177.10 177.20 1s5s n ILE 73 N 6.15 0.80 0.98 -5.21 -5.35 -0.32 -2.88 119.36 113.54 1s5s n ILE 73 Ca 0.02 0.19 0.11 0.00 -0.27 0.00 0.00 62.75 62.79 1s5s n ILE 73 Cb 0.48 -0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 37.42 1s5s n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s5s n ASP 74 N -1.65 1.86 -3.88 7.28 8.00 -1.26 -4.92 116.55 121.97 1s5s n ASP 74 Ca 0.04 -1.43 -0.15 0.00 0.71 0.00 0.00 54.79 53.96 1s5s n ASP 74 Cb 0.22 0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 41.72 1s5s n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s5s s VAL 75 N -2.52 0.21 -0.34 2.53 1.01 -1.14 -5.11 120.40 115.04 1s5s s VAL 75 Ca 0.17 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1s5s s VAL 75 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1s5s s VAL 75 CO 0.61 0.09 1.34 -0.76 0.00 0.00 0.00 175.10 176.38 1s5s s LEU 76 N 0.32 3.78 -0.01 3.92 1.43 -1.26 -4.67 118.68 122.18 1s5s s LEU 76 Ca -0.03 1.07 0.17 0.00 -1.03 0.00 0.00 54.13 54.31 1s5s s LEU 76 Cb -0.06 -3.54 -0.21 0.00 0.03 0.00 0.00 46.19 42.41 1s5s s LEU 76 CO -0.01 -1.21 0.57 -0.62 0.23 0.00 0.00 176.35 175.31 1s5s n GLU 77 N 7.59 1.13 0.00 1.70 1.02 -1.26 -5.02 120.64 125.81 1s5s n GLU 77 Ca 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1s5s n GLU 77 Cb 0.47 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1s5s n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s5s n GLY 78 N 1.45 2.01 0.98 0.62 0.00 -1.26 -4.97 105.19 104.03 1s5s n GLY 78 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1s5s n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s5s n ASN 79 N 0.00 3.02 -4.78 1.61 3.02 -1.26 -4.99 115.26 111.88 1s5s n ASN 79 Ca 0.00 -1.97 -0.36 0.00 -0.03 0.00 0.00 54.58 52.22 1s5s n ASN 79 Cb 0.00 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1s5s n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s5s s GLU 80 N -1.86 3.88 -0.12 3.52 8.01 -1.25 -4.41 118.70 126.47 1s5s s GLU 80 Ca 0.32 1.61 -0.00 0.00 0.01 0.00 0.00 54.97 56.91 1s5s s GLU 80 Cb 0.21 -2.38 0.02 0.00 -4.31 0.00 0.00 34.13 27.67 1s5s s GLU 80 CO 0.31 -0.41 -0.10 -0.65 0.01 0.00 0.00 175.26 174.42 1s5s s GLN 81 N -2.74 1.73 -0.28 1.61 -0.21 -0.31 -4.98 119.66 114.48 1s5s s GLN 81 Ca 0.63 -0.34 -0.09 0.00 0.02 0.00 0.00 55.36 55.58 1s5s s GLN 81 Cb -0.24 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.04 1s5s s GLN 81 CO 0.29 -0.24 0.12 -0.06 -2.12 0.00 0.00 175.29 173.28 1s5s s PHE 82 N 1.58 3.14 -0.05 0.91 0.08 -1.26 -0.92 117.98 121.45 1s5s s PHE 82 Ca 0.04 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.65 1s5s s PHE 82 Cb -0.13 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1s5s s PHE 82 CO -0.08 -0.38 -0.01 0.42 -0.10 0.00 0.00 175.22 175.08 1s5s s ILE 83 N 1.63 0.33 0.51 0.64 1.01 0.12 -4.99 121.20 120.44 1s5s s ILE 83 Ca 0.06 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 1s5s s ILE 83 Cb -0.16 -0.44 -0.07 0.00 0.01 0.00 0.00 42.46 41.80 1s5s s ILE 83 CO 0.05 0.21 1.13 0.20 0.00 0.00 0.00 174.94 176.54 1s5s s ASN 84 N 1.46 5.95 0.10 3.58 0.01 -1.26 -0.44 114.94 124.34 1s5s s ASN 84 Ca -0.03 2.20 -0.30 0.00 -0.71 0.00 0.00 52.86 54.02 1s5s s ASN 84 Cb -0.13 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 38.88 1s5s s ASN 84 CO -0.03 -1.07 1.22 0.00 -1.51 0.00 0.00 177.10 175.72 1s5s s ALA 85 N -1.70 3.43 -0.14 0.60 0.00 -0.07 -1.15 121.76 122.72 1s5s s ALA 85 Ca 0.69 0.90 0.03 0.00 0.00 0.00 0.00 51.96 53.58 1s5s s ALA 85 Cb -0.25 -3.45 -0.23 0.00 0.00 0.00 0.00 23.12 19.19 1s5s s ALA 85 CO 0.29 -0.44 0.26 0.00 0.00 0.00 0.00 175.76 175.88 1s5s n ALA 86 N 3.56 1.22 -2.79 0.00 0.00 0.85 -4.78 120.51 118.58 1s5s n ALA 86 Ca 0.08 -0.84 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 1s5s n ALA 86 Cb 0.45 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 1s5s n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s5s s LYS 87 N -2.55 0.43 -0.17 0.00 1.02 -1.15 -4.98 119.74 112.34 1s5s s LYS 87 Ca -0.20 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 1s5s s LYS 87 Cb 0.07 -0.36 0.05 0.00 -0.52 0.00 0.00 37.83 37.08 1s5s s LYS 87 CO 0.75 0.09 0.04 0.42 -0.92 0.00 0.00 175.35 175.73 1s5s s ILE 88 N -0.46 0.38 -0.26 2.17 1.01 -1.26 -0.84 121.20 121.95 1s5s s ILE 88 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1s5s s ILE 88 Cb -0.04 -0.85 0.07 0.00 0.01 0.00 0.00 42.46 41.65 1s5s s ILE 88 CO -0.00 -0.13 -0.04 -0.63 0.00 0.00 0.00 174.94 174.14 1s5s s ILE 89 N 1.93 1.68 0.45 2.92 1.01 0.14 -5.00 121.20 124.33 1s5s s ILE 89 Ca 0.01 -1.45 -0.20 0.00 0.00 0.00 0.00 60.65 59.01 1s5s s ILE 89 Cb -0.16 -1.98 -0.10 0.00 0.01 0.00 0.00 42.46 40.23 1s5s s ILE 89 CO -0.08 -0.20 0.95 0.42 0.00 0.00 0.00 174.94 176.03 1s5s s THR 90 N 1.30 4.44 0.21 2.92 -4.23 -1.26 -0.73 115.64 118.29 1s5s s THR 90 Ca -0.03 1.39 -0.32 0.00 -1.18 0.00 0.00 61.69 61.55 1s5s s THR 90 Cb -0.19 -3.63 -0.13 0.00 1.34 0.00 0.00 72.50 69.89 1s5s s THR 90 CO -0.08 -0.41 1.63 1.57 -0.54 0.00 0.00 174.62 176.78 1s5s n HIS 91 N -0.88 2.54 0.32 3.99 -0.00 -0.59 -4.86 115.22 115.74 1s5s n HIS 91 Ca 0.07 0.19 0.20 0.00 0.46 0.00 0.00 57.72 58.64 1s5s n HIS 91 Cb 0.54 -2.60 1.07 0.00 -0.12 0.00 0.00 29.99 28.88 1s5s n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s5s h PRO 92 N 5.96 0.00 -0.41 1.57 0.13 -1.92 -1.76 132.00 135.56 1s5s h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1s5s h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1s5s h PRO 92 CO 0.89 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 1s5s n ASN 93 N -3.21 4.15 -4.69 1.44 3.02 -1.26 -4.99 115.26 109.73 1s5s n ASN 93 Ca -0.02 -2.66 -0.44 0.00 -0.03 0.00 0.00 54.58 51.42 1s5s n ASN 93 Cb 0.12 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1s5s n ASN 93 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1s5s n PHE 94 N 0.25 2.39 -3.98 3.10 7.35 -0.66 -4.62 117.46 121.29 1s5s n PHE 94 Ca 0.21 0.29 -0.34 0.00 -0.76 0.00 0.00 57.45 56.85 1s5s n PHE 94 Cb 0.84 -2.54 -0.14 0.00 0.35 0.00 0.00 39.48 37.98 1s5s n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s5s s ASN 95 N 0.68 4.28 0.08 -2.13 3.84 -0.71 -5.01 114.94 115.98 1s5s s ASN 95 Ca 0.73 -0.94 0.20 0.00 0.21 0.00 0.00 52.86 53.06 1s5s s ASN 95 Cb -0.62 -1.64 0.81 0.00 -0.55 0.00 0.00 41.25 39.25 1s5s s ASN 95 CO 0.42 -0.13 1.62 0.61 -2.79 0.00 0.00 177.10 176.83 1s5s n GLY 96 N 4.64 -1.19 0.05 1.21 0.00 -1.26 -0.38 105.19 108.26 1s5s n GLY 96 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1s5s n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1s5s h ASN 97 N 0.00 0.00 1.40 1.61 -0.73 -1.97 -3.39 115.58 112.50 1s5s h ASN 97 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1s5s h ASN 97 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.94 1s5s h ASN 97 CO 0.00 0.52 -0.08 0.35 -0.37 0.00 0.00 177.43 177.85 1s5s n THR 98 N -4.23 0.56 -1.36 -3.57 -2.24 -1.22 -4.92 114.28 97.31 1s5s n THR 98 Ca -0.03 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1s5s n THR 98 Cb 0.11 -0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1s5s n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s5s n LEU 99 N -2.24 -0.58 -4.77 3.22 4.77 0.49 -5.00 117.00 112.89 1s5s n LEU 99 Ca 0.05 0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.94 1s5s n LEU 99 Cb 0.43 -2.52 -0.01 0.00 -2.33 0.00 0.00 43.42 39.00 1s5s n LEU 99 CO 0.31 -0.96 0.98 -0.62 -1.33 0.00 0.00 177.39 175.77 1s5s s ASP 100 N -2.52 6.37 -1.27 -1.43 2.15 -1.22 -3.00 116.67 115.74 1s5s s ASP 100 Ca 0.00 2.69 -0.04 0.00 0.43 0.00 0.00 52.55 55.63 1s5s s ASP 100 Cb 0.00 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1s5s s ASP 100 CO 0.00 -0.81 1.06 0.59 -0.17 0.00 0.00 175.17 175.83 1s5s n ASN 101 N 0.23 -3.68 -4.49 -0.34 3.02 -1.26 -1.73 115.26 107.01 1s5s n ASN 101 Ca 0.03 -0.60 -0.43 0.00 -0.03 0.00 0.00 54.58 53.54 1s5s n ASN 101 Cb 0.43 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 1s5s n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s5s n ASP 102 N -3.08 5.02 -3.76 6.41 2.03 -1.16 -4.14 116.55 117.87 1s5s n ASP 102 Ca -0.17 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.06 1s5s n ASP 102 Cb 0.63 -1.67 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 1s5s n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s5s s ILE 103 N 3.06 0.03 -0.10 5.18 2.07 -1.26 -3.92 121.20 126.25 1s5s s ILE 103 Ca 0.49 -0.22 -0.11 0.00 -1.41 0.00 0.00 60.65 59.40 1s5s s ILE 103 Cb 0.02 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 42.09 1s5s s ILE 103 CO 0.04 -0.12 0.31 -0.32 -1.91 0.00 0.00 174.94 172.94 1s5s s MET 104 N -0.52 0.41 -0.01 3.50 -2.45 -0.37 -1.54 119.30 118.32 1s5s s MET 104 Ca -0.06 0.33 0.03 0.00 -1.25 0.00 0.00 55.69 54.74 1s5s s MET 104 Cb -0.04 0.19 -0.03 0.00 1.25 0.00 0.00 34.83 36.21 1s5s s MET 104 CO 0.02 -0.06 -0.10 -0.51 1.05 0.00 0.00 175.02 175.42 1s5s s LEU 105 N -0.08 3.01 -0.12 4.11 1.43 0.09 -0.69 118.68 126.43 1s5s s LEU 105 Ca -0.02 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1s5s s LEU 105 Cb -0.03 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1s5s s LEU 105 CO 0.01 0.30 -0.12 -0.63 0.23 0.00 0.00 176.35 176.14 1s5s s ILE 106 N -0.91 1.35 -0.11 -0.59 1.01 -0.15 -0.68 121.20 121.13 1s5s s ILE 106 Ca 0.15 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 1s5s s ILE 106 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1s5s s ILE 106 CO 0.05 0.42 0.52 -0.75 0.00 0.00 0.00 174.94 175.18 1s5s s LYS 107 N 1.38 4.36 0.37 2.79 2.20 -0.02 -1.08 119.74 129.74 1s5s s LYS 107 Ca 0.01 0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 55.91 1s5s s LYS 107 Cb -0.13 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.66 1s5s s LYS 107 CO -0.07 0.15 1.01 -0.51 -0.36 0.00 0.00 175.35 175.57 1s5s s LEU 108 N 0.64 4.20 0.47 5.43 1.43 0.06 -0.10 118.68 130.80 1s5s s LEU 108 Ca 0.28 1.95 0.26 0.00 -1.03 0.00 0.00 54.13 55.59 1s5s s LEU 108 Cb -0.16 -4.15 1.06 0.00 0.03 0.00 0.00 46.19 42.98 1s5s s LEU 108 CO 0.12 -0.33 1.89 0.28 0.23 0.00 0.00 176.35 178.53 1s5s h SER 109 N 2.70 0.00 -5.13 2.29 0.02 -1.44 -3.42 113.55 108.57 1s5s h SER 109 Ca -0.48 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 1s5s h SER 109 Cb 1.20 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.57 1s5s h SER 109 CO 0.63 0.18 -0.69 -0.94 -1.14 0.00 0.00 176.83 174.88 1s5s s SER 110 N -6.12 0.42 0.31 3.07 1.04 -1.26 -5.01 113.70 106.14 1s5s s SER 110 Ca 0.00 -0.82 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 1s5s s SER 110 Cb 0.11 0.16 -0.10 0.00 0.10 0.00 0.00 66.02 66.28 1s5s s SER 110 CO 0.62 -0.49 1.36 -2.84 0.98 0.00 0.00 173.24 172.87 1s5s s PRO 111 N -3.02 4.31 0.45 4.02 0.02 -1.26 -4.89 135.00 134.62 1s5s s PRO 111 Ca -0.01 2.27 -0.25 0.00 0.02 0.00 0.00 61.00 63.02 1s5s s PRO 111 Cb 0.01 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.38 1s5s s PRO 111 CO -0.07 -0.28 1.43 0.00 -0.33 0.00 0.00 177.00 177.75 1s5s n ALA 112 N 1.20 2.03 -2.60 -1.55 0.00 0.43 -4.98 120.51 115.04 1s5s n ALA 112 Ca 0.02 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 1s5s n ALA 112 Cb 0.41 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.41 1s5s n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s5s s THR 113 N -1.19 4.91 0.04 0.00 2.01 -1.26 -4.84 115.64 115.31 1s5s s THR 113 Ca 0.61 0.87 -0.22 0.00 0.31 0.00 0.00 61.69 63.26 1s5s s THR 113 Cb -0.45 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 67.97 1s5s s THR 113 CO 0.58 -0.17 0.66 -0.76 -0.69 0.00 0.00 174.62 174.23 1s5s s LEU 114 N 2.67 4.47 0.00 4.42 1.43 -1.26 -4.75 118.68 125.65 1s5s s LEU 114 Ca 0.26 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1s5s s LEU 114 Cb -0.15 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1s5s s LEU 114 CO 0.12 0.12 0.00 -0.46 0.23 0.00 0.00 176.35 176.36 1s5s n ASN 115 N 2.43 0.00 0.21 2.29 0.23 0.17 -4.98 115.26 115.61 1s5s n ASN 115 Ca -0.06 -0.48 0.07 0.00 -0.53 0.00 0.00 54.58 53.58 1s5s n ASN 115 Cb 0.50 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.69 1s5s n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s5s h SER 116 N 0.00 0.00 0.06 0.53 4.64 -1.99 -3.15 113.55 113.64 1s5s h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s5s h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s5s h SER 116 CO 0.00 0.28 -1.06 0.54 -0.87 0.00 0.00 176.83 175.72 1s5s n ARG 117 N -3.81 0.08 -3.71 4.77 1.74 -1.26 -4.78 116.66 109.68 1s5s n ARG 117 Ca -0.01 -0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 1s5s n ARG 117 Cb 0.37 -1.51 -0.17 0.00 -1.02 0.00 0.00 32.46 30.14 1s5s n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s5s s VAL 118 N -3.06 0.41 0.01 1.55 1.01 -1.19 -4.29 120.40 114.84 1s5s s VAL 118 Ca 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1s5s s VAL 118 Cb 0.16 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1s5s s VAL 118 CO 0.86 -0.20 0.26 0.00 0.00 0.00 0.00 175.10 176.01 1s5s s ALA 119 N 1.91 -0.61 0.56 5.51 0.00 -0.84 -0.66 121.76 127.65 1s5s s ALA 119 Ca -0.00 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 1s5s s ALA 119 Cb -0.17 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 1s5s s ALA 119 CO -0.08 -0.29 1.01 0.95 0.00 0.00 0.00 175.76 177.35 1s5s s THR 120 N -1.74 4.48 -0.06 0.00 -4.23 -1.26 -2.83 115.64 109.99 1s5s s THR 120 Ca -0.11 1.05 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 1s5s s THR 120 Cb -0.04 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 1s5s s THR 120 CO 0.01 -0.82 -0.10 0.54 -0.54 0.00 0.00 174.62 173.71 1s5s s VAL 121 N -2.80 3.41 0.42 2.29 0.11 -0.57 -4.84 120.40 118.43 1s5s s VAL 121 Ca 0.58 -0.59 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1s5s s VAL 121 Cb -0.11 -2.37 -0.09 0.00 -1.53 0.00 0.00 36.38 32.28 1s5s s VAL 121 CO 0.40 0.59 1.35 -0.55 -3.33 0.00 0.00 175.10 173.56 1s5s s SER 122 N -0.74 6.15 0.91 3.54 0.15 -1.25 -4.60 113.70 117.84 1s5s s SER 122 Ca 0.11 2.76 -0.12 0.00 0.70 0.00 0.00 55.95 59.40 1s5s s SER 122 Cb -0.11 -2.64 0.14 0.00 -1.71 0.00 0.00 66.02 61.69 1s5s s SER 122 CO 0.01 -0.97 1.11 -0.76 1.20 0.00 0.00 173.24 173.82 1s5s s LEU 123 N -2.54 2.08 0.28 3.45 1.43 -1.26 -0.96 118.68 121.16 1s5s s LEU 123 Ca 0.58 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.62 1s5s s LEU 123 Cb -0.40 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.13 1s5s s LEU 123 CO 0.52 -2.62 1.30 -2.84 0.23 0.00 0.00 176.35 172.94 1s5s s PRO 124 N -5.08 4.39 0.09 1.29 0.02 -1.26 -4.67 135.00 129.78 1s5s s PRO 124 Ca 0.63 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.89 1s5s s PRO 124 Cb -0.17 -3.12 -0.19 0.00 0.02 0.00 0.00 34.50 31.05 1s5s s PRO 124 CO 0.56 -0.18 1.14 0.00 -0.33 0.00 0.00 177.00 178.18 1s5s h ARG 125 N 4.09 0.00 -3.53 5.54 3.08 -1.96 -3.48 114.38 118.12 1s5s h ARG 125 Ca -0.47 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 1s5s h ARG 125 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.19 1s5s h ARG 125 CO 0.70 0.82 -0.05 -1.54 -1.07 0.00 0.00 179.97 178.82 1s5s s SER 127 N -6.52 -0.12 0.74 7.04 1.04 -1.26 -5.16 113.70 109.46 1s5s s SER 127 Ca -0.00 -0.87 -0.12 0.00 0.48 0.00 0.00 55.95 55.43 1s5s s SER 127 Cb 0.09 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.87 1s5s s SER 127 CO 0.81 -1.18 1.11 0.00 0.98 0.00 0.00 173.24 174.96 1s5s s ALA 129 N -2.63 3.73 0.63 0.00 0.00 -1.26 -5.06 121.76 117.17 1s5s s ALA 129 Ca 0.64 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 1s5s s ALA 129 Cb -0.19 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1s5s s ALA 129 CO 0.50 0.51 1.23 0.00 0.00 0.00 0.00 175.76 178.00 1s5s s ALA 130 N -1.11 2.43 0.38 0.00 0.00 -1.26 -4.95 121.76 117.25 1s5s s ALA 130 Ca 0.24 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 1s5s s ALA 130 Cb -0.16 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 1s5s s ALA 130 CO 0.13 -1.40 1.37 0.00 0.00 0.00 0.00 175.76 175.87 1s5s n ALA 132 N -1.89 1.77 -0.25 0.00 0.00 -1.26 -2.01 120.51 116.88 1s5s n ALA 132 Ca 0.14 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1s5s n ALA 132 Cb 0.49 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1s5s n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s5s n GLY 133 N 0.64 1.56 3.74 0.00 0.00 0.13 -4.98 105.19 106.27 1s5s n GLY 133 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1s5s n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s5s s THR 134 N -2.91 2.22 0.19 2.61 2.01 -0.85 -4.62 115.64 114.30 1s5s s THR 134 Ca 0.00 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 1s5s s THR 134 Cb 0.00 -3.11 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 1s5s s THR 134 CO 0.00 0.02 0.96 -1.61 -0.69 0.00 0.00 174.62 173.30 1s5s s GLU 135 N 0.27 4.78 0.20 4.92 0.41 -1.26 -0.80 118.70 127.22 1s5s s GLU 135 Ca 0.67 1.50 0.04 0.00 -0.41 0.00 0.00 54.97 56.77 1s5s s GLU 135 Cb -0.47 -3.31 -0.05 0.00 -1.78 0.00 0.00 34.13 28.52 1s5s s GLU 135 CO 0.40 0.37 -0.03 0.00 -0.49 0.00 0.00 175.26 175.52 1s5s s LEU 137 N -3.26 2.40 -0.09 0.00 2.96 0.57 -1.20 118.68 120.06 1s5s s LEU 137 Ca 0.25 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1s5s s LEU 137 Cb 0.05 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 1s5s s LEU 137 CO 0.06 0.04 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 1s5s s ILE 138 N 1.06 3.31 0.04 6.68 1.01 0.04 -1.54 121.20 131.80 1s5s s ILE 138 Ca -0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1s5s s ILE 138 Cb -0.14 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1s5s s ILE 138 CO -0.05 0.56 0.12 -0.94 0.00 0.00 0.00 174.94 174.64 1s5s s SER 139 N -0.30 0.14 0.00 3.58 1.04 -1.18 -0.62 113.70 116.35 1s5s s SER 139 Ca 0.03 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1s5s s SER 139 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1s5s s SER 139 CO 0.03 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1s5s n GLY 140 N 0.73 0.34 1.65 7.32 0.00 -0.33 -4.33 105.19 110.57 1s5s n GLY 140 Ca -0.19 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 1s5s n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s5s n TRP 141 N -0.67 1.95 -1.19 1.61 8.01 -1.26 -1.80 117.44 124.09 1s5s n TRP 141 Ca 0.00 -1.18 -0.30 0.00 -1.31 0.00 0.00 57.50 54.71 1s5s n TRP 141 Cb 0.00 -0.58 0.24 0.00 -2.01 0.00 0.00 31.31 28.96 1s5s n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1s5s s GLY 142 N -1.43 1.61 0.29 6.99 0.00 -1.24 -4.28 107.32 109.25 1s5s s GLY 142 Ca 0.51 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 43.91 1s5s s GLY 142 CO 0.11 -0.13 1.34 -2.01 0.00 0.00 0.00 173.10 172.40 1s5s n ASN 143 N -4.67 2.71 -0.34 1.64 2.85 -0.28 -3.11 115.26 114.06 1s5s n ASN 143 Ca 0.14 1.17 0.07 0.00 -0.11 0.00 0.00 54.58 55.86 1s5s n ASN 143 Cb 0.60 -1.45 0.00 0.00 1.24 0.00 0.00 39.78 40.17 1s5s n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1s5s n THR 144 N 1.12 0.00 -3.99 -0.44 -2.24 -0.26 -0.87 114.28 107.60 1s5s n THR 144 Ca 0.08 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 1s5s n THR 144 Cb 0.34 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 1s5s n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s5s s LYS 145 N -1.74 3.52 0.19 -0.78 -0.14 -1.26 -4.35 119.74 115.18 1s5s s LYS 145 Ca 0.12 -0.24 0.26 0.00 -1.36 0.00 0.00 55.97 54.75 1s5s s LYS 145 Cb 0.12 -3.13 0.89 0.00 -1.68 0.00 0.00 37.83 34.02 1s5s s LYS 145 CO 0.36 0.62 1.77 -1.13 -0.76 0.00 0.00 175.35 176.21 1s5s n SER 146 N 2.47 0.68 -3.74 2.83 3.41 -1.26 -4.71 113.62 113.30 1s5s n SER 146 Ca -0.19 0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 58.88 1s5s n SER 146 Cb 0.54 -0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 1s5s n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1s5s s SER 147 N -4.28 -0.22 0.00 4.04 0.01 -1.26 -4.96 113.70 107.02 1s5s s SER 147 Ca 0.09 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1s5s s SER 147 Cb 0.12 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1s5s s SER 147 CO 0.54 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1s5s n GLY 148 N 4.16 -1.36 2.80 3.44 0.00 -1.26 -4.94 105.19 108.04 1s5s n GLY 148 Ca -0.25 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 1s5s n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s5s s SER 149 N -4.00 0.04 -0.09 1.61 0.01 -1.26 -4.72 113.70 105.29 1s5s s SER 149 Ca 0.00 0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.28 1s5s s SER 149 Cb 0.00 -0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.24 1s5s s SER 149 CO 0.00 -0.11 0.19 -0.55 0.41 0.00 0.00 173.24 173.18 1s5s s SER 150 N 0.90 0.56 -0.26 2.44 0.15 -1.26 -4.96 113.70 111.26 1s5s s SER 150 Ca -0.07 0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.90 1s5s s SER 150 Cb -0.11 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1s5s s SER 150 CO -0.03 -0.23 0.08 -0.31 1.20 0.00 0.00 173.24 173.95 1s5s s TYR 151 N 2.20 3.11 0.51 3.44 1.51 -1.26 -1.10 117.35 125.74 1s5s s TYR 151 Ca 0.01 -0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 55.39 1s5s s TYR 151 Cb -0.12 -2.26 -0.08 0.00 -0.11 0.00 0.00 41.96 39.40 1s5s s TYR 151 CO -0.06 -0.40 1.00 -1.25 -1.11 0.00 0.00 175.55 173.73 1s5s s PRO 152 N 1.60 3.85 0.10 -1.71 0.04 -1.26 -4.98 135.00 132.65 1s5s s PRO 152 Ca 0.06 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 1s5s s PRO 152 Cb -0.16 -2.12 -0.19 0.00 0.04 0.00 0.00 34.50 32.08 1s5s s PRO 152 CO 0.04 -0.36 1.22 0.66 0.04 0.00 0.00 177.00 178.60 1s5s h SER 153 N 1.14 0.65 -2.82 6.66 4.64 -1.94 -3.47 113.55 118.43 1s5s h SER 153 Ca -0.48 -0.57 -0.66 0.00 -0.47 0.00 0.00 61.79 59.61 1s5s h SER 153 Cb 1.20 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 63.00 1s5s h SER 153 CO 0.60 1.38 -0.51 -0.76 -0.87 0.00 0.00 176.83 176.67 1s5s s LEU 154 N -7.73 4.22 0.23 5.97 1.43 -1.26 -1.17 118.68 120.37 1s5s s LEU 154 Ca -0.07 0.37 -0.32 0.00 -1.03 0.00 0.00 54.13 53.08 1s5s s LEU 154 Cb 0.08 -2.15 -0.12 0.00 0.03 0.00 0.00 46.19 44.03 1s5s s LEU 154 CO 0.89 0.37 1.60 -0.11 0.23 0.00 0.00 176.35 179.33 1s5s n LEU 155 N 1.75 3.81 -4.84 1.79 7.94 -0.95 -4.88 117.00 121.62 1s5s n LEU 155 Ca -0.18 1.11 -0.28 0.00 -1.11 0.00 0.00 56.01 55.55 1s5s n LEU 155 Cb 0.54 -1.53 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 1s5s n LEU 155 CO 0.33 -0.02 -0.19 -1.10 -1.11 0.00 0.00 177.39 175.30 1s5s s GLN 156 N 0.32 3.10 0.08 1.96 -1.52 -0.74 -1.57 119.66 121.28 1s5s s GLN 156 Ca 0.71 -0.68 0.05 0.00 -1.95 0.00 0.00 55.36 53.49 1s5s s GLN 156 Cb -0.56 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.39 1s5s s GLN 156 CO 0.41 0.54 -0.13 0.00 -0.25 0.00 0.00 175.29 175.87 1s5s s LEU 158 N -1.90 0.04 -0.14 0.00 2.96 0.20 -1.36 118.68 118.48 1s5s s LEU 158 Ca -0.01 0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 54.50 1s5s s LEU 158 Cb -0.08 1.17 -0.04 0.00 0.50 0.00 0.00 46.19 47.73 1s5s s LEU 158 CO 0.02 -0.19 0.51 -0.54 -1.32 0.00 0.00 176.35 174.83 1s5s s LYS 159 N 1.39 4.30 -0.06 1.98 -0.14 -1.26 -0.78 119.74 125.17 1s5s s LYS 159 Ca -0.09 0.48 -0.17 0.00 -1.36 0.00 0.00 55.97 54.83 1s5s s LYS 159 Cb -0.09 -3.48 0.03 0.00 -1.68 0.00 0.00 37.83 32.62 1s5s s LYS 159 CO -0.12 0.05 0.38 0.00 -0.76 0.00 0.00 175.35 174.91 1s5s s ALA 160 N 0.97 -0.97 0.21 5.17 0.00 -0.34 -4.97 121.76 121.83 1s5s s ALA 160 Ca 0.26 0.69 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 1s5s s ALA 160 Cb -0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1s5s s ALA 160 CO 0.11 -0.25 0.49 -1.25 0.00 0.00 0.00 175.76 174.85 1s5s s PRO 161 N -0.87 3.71 0.15 0.00 0.04 -1.26 -0.53 135.00 136.25 1s5s s PRO 161 Ca -0.09 0.11 -0.31 0.00 0.04 0.00 0.00 61.00 60.74 1s5s s PRO 161 Cb -0.04 -2.71 -0.10 0.00 0.04 0.00 0.00 34.50 31.69 1s5s s PRO 161 CO 0.04 0.35 1.64 0.08 0.04 0.00 0.00 177.00 179.15 1s5s s VAL 162 N -1.81 2.56 0.43 -0.36 1.01 0.02 -1.75 120.40 120.50 1s5s s VAL 162 Ca 0.45 0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.68 1s5s s VAL 162 Cb -0.11 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1s5s s VAL 162 CO 0.24 0.02 0.76 -0.76 0.00 0.00 0.00 175.10 175.35 1s5s s LEU 163 N 1.58 3.75 0.16 3.92 1.43 0.02 -0.69 118.68 128.86 1s5s s LEU 163 Ca 0.73 0.99 -0.34 0.00 -1.03 0.00 0.00 54.13 54.48 1s5s s LEU 163 Cb -0.45 -3.90 -0.14 0.00 0.03 0.00 0.00 46.19 41.73 1s5s s LEU 163 CO 0.32 -0.47 1.51 -1.54 0.23 0.00 0.00 176.35 176.40 1s5s n SER 164 N -1.76 2.83 0.27 2.29 3.41 -1.26 -4.71 113.62 114.69 1s5s n SER 164 Ca 0.01 1.10 0.18 0.00 -0.26 0.00 0.00 58.87 59.89 1s5s n SER 164 Cb 0.55 -1.39 0.93 0.00 -0.26 0.00 0.00 64.21 64.04 1s5s n SER 164 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1s5s h ASP 165 N 5.43 0.00 0.10 4.04 2.03 -1.95 0.10 116.42 126.18 1s5s h ASP 165 Ca -0.45 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1s5s h ASP 165 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1s5s h ASP 165 CO 0.85 0.00 -0.05 -1.28 -1.03 0.00 0.00 179.24 177.73 1s5s h SER 166 N 0.00 -0.11 -0.18 4.15 0.87 -1.98 -2.51 113.55 113.79 1s5s h SER 166 Ca 0.04 -0.46 0.05 0.00 -1.23 0.00 0.00 61.79 60.19 1s5s h SER 166 Cb 0.27 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1s5s h SER 166 CO -0.00 0.51 0.13 -1.28 -0.53 0.00 0.00 176.83 175.66 1s5s h SER 167 N -0.85 0.00 0.14 6.23 0.87 -1.25 0.22 113.55 118.91 1s5s h SER 167 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1s5s h SER 167 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1s5s h SER 167 CO 0.02 0.00 -0.07 0.00 -0.53 0.00 0.00 176.83 176.25 1s5s h LYS 169 N -0.65 0.26 0.00 0.00 1.57 -0.83 -2.34 116.57 114.58 1s5s h LYS 169 Ca -0.02 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1s5s h LYS 169 Cb 0.49 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1s5s h LYS 169 CO 0.03 0.60 -0.49 0.77 -0.57 0.00 0.00 179.45 179.79 1s5s h SER 170 N 0.23 0.00 0.61 0.86 0.02 -0.72 -2.96 113.55 111.59 1s5s h SER 170 Ca 0.03 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1s5s h SER 170 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1s5s h SER 170 CO 0.06 0.49 -0.49 0.28 -1.14 0.00 0.00 176.83 176.03 1s5s h SER 171 N 0.00 0.00 -2.08 3.07 0.02 -1.34 -3.36 113.55 109.85 1s5s h SER 171 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 1s5s h SER 171 Cb 0.87 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.01 1s5s h SER 171 CO 0.06 0.49 -1.00 -1.22 -1.14 0.00 0.00 176.83 174.02 1s5s n TYR 172 N -3.80 0.33 -1.67 3.45 4.02 -1.13 -4.90 117.16 113.47 1s5s n TYR 172 Ca -0.01 -3.65 -0.47 0.00 -0.01 0.00 0.00 57.90 53.75 1s5s n TYR 172 Cb 0.53 -0.34 -0.04 0.00 -0.02 0.00 0.00 39.34 39.46 1s5s n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s5s n PRO 173 N 1.44 2.08 -0.96 -0.72 -0.02 -1.16 -1.42 135.00 134.23 1s5s n PRO 173 Ca 0.23 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1s5s n PRO 173 Cb 0.50 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1s5s n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5s n GLY 174 N 3.62 0.81 0.10 -1.23 0.00 -1.26 -4.87 105.19 102.35 1s5s n GLY 174 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1s5s n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s5s n GLN 175 N -2.13 3.21 -3.48 1.61 6.02 -0.51 -4.93 117.38 117.17 1s5s n GLN 175 Ca 0.00 -0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 56.26 1s5s n GLN 175 Cb 0.01 -0.90 -0.10 0.00 1.02 0.00 0.00 30.24 30.26 1s5s n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1s5s s ILE 176 N -1.20 5.25 0.75 5.09 -1.09 -1.25 -5.03 121.20 123.71 1s5s s ILE 176 Ca 0.04 -0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.24 1s5s s ILE 176 Cb 0.05 -3.78 0.13 0.00 -1.58 0.00 0.00 42.46 37.28 1s5s s ILE 176 CO 0.19 -0.07 1.04 0.42 -1.23 0.00 0.00 174.94 175.28 1s5s s THR 177 N 1.81 2.16 -1.15 2.92 -4.23 -1.26 -4.97 115.64 110.93 1s5s s THR 177 Ca 0.08 -0.46 0.09 0.00 -1.18 0.00 0.00 61.69 60.22 1s5s s THR 177 Cb -0.17 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.08 1s5s s THR 177 CO 0.11 0.00 1.26 0.61 -0.54 0.00 0.00 174.62 176.06 1s5s n GLY 178 N -2.97 -0.74 1.65 3.99 0.00 -1.26 -2.45 105.19 103.41 1s5s n GLY 178 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1s5s n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s5s n ASN 179 N -1.43 5.25 -4.02 1.61 3.02 -1.26 -4.94 115.26 113.49 1s5s n ASN 179 Ca 0.03 -2.89 -0.15 0.00 -0.03 0.00 0.00 54.58 51.55 1s5s n ASN 179 Cb 0.10 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.50 1s5s n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s5s s MET 180 N -2.66 0.51 0.11 3.52 -1.94 -1.02 -0.79 119.30 117.03 1s5s s MET 180 Ca 0.52 -0.51 0.05 0.00 -1.71 0.00 0.00 55.69 54.03 1s5s s MET 180 Cb 0.39 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.80 1s5s s MET 180 CO 0.16 0.09 -0.12 0.96 -0.01 0.00 0.00 175.02 176.10 1s5s s ILE 181 N -0.79 1.09 -0.10 2.53 -4.36 -0.13 -4.80 121.20 114.64 1s5s s ILE 181 Ca -0.04 -1.66 -0.04 0.00 -0.26 0.00 0.00 60.65 58.65 1s5s s ILE 181 Cb -0.06 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.20 1s5s s ILE 181 CO 0.00 -0.50 0.07 0.00 0.24 0.00 0.00 174.94 174.75 1s5s s VAL 183 N -0.97 0.03 -4.73 0.00 1.01 -1.03 -0.80 120.40 113.91 1s5s s VAL 183 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1s5s s VAL 183 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1s5s s VAL 183 CO 0.04 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1s5s n GLY 184 N 4.19 0.31 2.76 4.51 0.00 -0.72 -3.83 105.19 112.41 1s5s n GLY 184 Ca -0.27 -1.30 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 1s5s n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5s s PHE 184 N -4.00 -0.07 0.33 1.61 0.40 -1.26 -4.25 117.98 110.73 1s5s s PHE 184 Ca 0.00 0.45 0.28 0.00 -0.60 0.00 0.00 56.93 57.06 1s5s s PHE 184 Cb 0.00 -0.36 1.36 0.00 0.51 0.00 0.00 43.02 44.53 1s5s s PHE 184 CO 0.00 -0.24 2.02 -0.07 0.70 0.00 0.00 175.22 177.63 1s5s h LEU 185 N 8.40 0.00 0.00 -0.37 3.38 -1.95 -2.53 115.31 122.24 1s5s h LEU 185 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1s5s h LEU 185 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1s5s h LEU 185 CO 0.15 0.13 0.00 -1.84 0.09 0.00 0.00 178.44 176.97 1s5s n GLU 186 N -3.49 0.44 -0.86 1.13 0.00 -1.26 -0.30 120.64 116.30 1s5s n GLU 186 Ca -0.01 0.05 0.11 0.00 0.00 0.00 0.00 57.16 57.30 1s5s n GLU 186 Cb 0.28 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.17 1s5s n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s5s n GLY 187 N 0.19 -2.87 0.00 -1.84 0.00 -0.95 -4.49 105.19 95.22 1s5s n GLY 187 Ca 0.12 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1s5s n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5s n GLY 188 N -3.46 1.97 2.63 -0.02 0.00 -0.08 -4.89 105.19 101.34 1s5s n GLY 188 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1s5s n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s5s s LYS 188 N -0.60 0.26 0.13 1.61 1.02 -1.25 -3.30 119.74 117.60 1s5s s LYS 188 Ca 0.00 -0.32 -0.25 0.00 0.02 0.00 0.00 55.97 55.42 1s5s s LYS 188 Cb 0.00 -1.75 0.07 0.00 -0.52 0.00 0.00 37.83 35.63 1s5s s LYS 188 CO 0.00 -0.76 0.88 0.34 -0.92 0.00 0.00 175.35 174.89 1s5s s ASP 189 N 2.04 -0.28 0.72 2.83 2.15 -0.47 -4.27 116.67 119.40 1s5s s ASP 189 Ca 0.03 -0.28 -0.11 0.00 0.43 0.00 0.00 52.55 52.62 1s5s s ASP 189 Cb -0.16 0.50 0.03 0.00 -0.30 0.00 0.00 42.92 42.98 1s5s s ASP 189 CO -0.16 -0.88 1.10 -0.94 -0.17 0.00 0.00 175.17 174.11 1s5s s SER 190 N -2.79 5.25 0.27 -0.34 1.04 -1.26 -0.66 113.70 115.21 1s5s s SER 190 Ca 0.09 1.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.52 1s5s s SER 190 Cb -0.02 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1s5s s SER 190 CO -0.02 -1.44 0.37 0.00 0.98 0.00 0.00 173.24 173.13 1s5s n GLN 192 N -0.46 1.19 0.00 0.00 3.00 -1.26 -0.81 117.38 119.05 1s5s n GLN 192 Ca 0.01 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1s5s n GLN 192 Cb 0.46 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.80 1s5s n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s5s n GLY 193 N 1.93 2.86 0.22 1.08 0.00 -1.26 -1.12 105.19 108.88 1s5s n GLY 193 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1s5s n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s5s h ASP 194 N 0.00 0.00 -0.94 1.61 3.32 -1.28 -3.30 116.42 115.82 1s5s h ASP 194 Ca 0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 1s5s h ASP 194 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 1s5s h ASP 194 CO 0.00 0.05 0.01 -1.20 -1.72 0.00 0.00 179.24 176.38 1s5s n SER 195 N -3.11 -0.11 0.00 6.45 7.64 -1.25 -1.11 113.62 122.14 1s5s n SER 195 Ca 0.04 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1s5s n SER 195 Cb 0.54 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1s5s n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5s n GLY 196 N 1.46 2.29 3.75 0.23 0.00 0.15 -0.50 105.19 112.57 1s5s n GLY 196 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1s5s n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5s n GLY 197 N -2.00 -1.38 3.85 -0.02 0.00 -0.26 -3.48 105.19 101.88 1s5s n GLY 197 Ca 0.00 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1s5s n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s5s s PRO 198 N -5.79 4.02 -0.28 1.61 0.04 -1.26 -1.09 135.00 132.25 1s5s s PRO 198 Ca 0.73 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.50 1s5s s PRO 198 Cb -0.02 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 32.19 1s5s s PRO 198 CO 0.51 0.14 -0.02 0.08 0.04 0.00 0.00 177.00 177.75 1s5s s VAL 199 N -2.01 1.82 -0.19 -0.36 1.01 -0.55 -3.09 120.40 117.04 1s5s s VAL 199 Ca 0.55 -1.68 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1s5s s VAL 199 Cb -0.10 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1s5s s VAL 199 CO 0.17 -0.31 -0.06 -0.69 0.00 0.00 0.00 175.10 174.22 1s5s s VAL 200 N 1.21 3.40 -0.10 2.92 1.01 -0.59 -1.21 120.40 127.03 1s5s s VAL 200 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1s5s s VAL 200 Cb -0.19 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1s5s s VAL 200 CO -0.09 0.45 -0.12 0.00 0.00 0.00 0.00 175.10 175.34 1s5s n ASN 202 N 4.30 -1.55 -0.05 0.00 3.02 -1.26 -1.53 115.26 118.19 1s5s n ASN 202 Ca -0.18 -0.98 -0.01 0.00 -0.03 0.00 0.00 54.58 53.38 1s5s n ASN 202 Cb 0.51 -3.10 -0.00 0.00 -0.61 0.00 0.00 39.78 36.58 1s5s n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s5s n GLY 203 N -1.79 0.46 3.09 7.41 0.00 -1.26 -5.00 105.19 108.10 1s5s n GLY 203 Ca -0.18 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1s5s n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s5s s GLN 204 N -0.69 1.24 -0.70 1.61 -0.21 -0.58 -3.94 119.66 116.39 1s5s s GLN 204 Ca 0.00 -0.48 -0.26 0.00 0.02 0.00 0.00 55.36 54.64 1s5s s GLN 204 Cb 0.00 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.86 1s5s s GLN 204 CO 0.00 0.25 1.62 -1.17 -2.12 0.00 0.00 175.29 173.87 1s5s s LEU 209 N -0.13 3.24 -0.04 2.90 2.96 -0.13 -0.85 118.68 126.63 1s5s s LEU 209 Ca 0.01 -0.13 0.20 0.00 -0.22 0.00 0.00 54.13 54.00 1s5s s LEU 209 Cb -0.07 -2.55 -0.24 0.00 0.50 0.00 0.00 46.19 43.83 1s5s s LEU 209 CO 0.00 -2.15 0.49 0.00 -1.32 0.00 0.00 176.35 173.37 1s5s n GLN 210 N 9.23 0.66 -4.02 1.98 1.13 -0.35 -4.02 117.38 121.98 1s5s n GLN 210 Ca 0.16 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 55.09 1s5s n GLN 210 Cb 0.50 -1.60 -0.11 0.00 0.11 0.00 0.00 30.24 29.14 1s5s n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s5s s GLY 211 N -4.82 0.34 -0.08 1.08 0.00 -0.96 -1.62 107.32 101.26 1s5s s GLY 211 Ca -0.07 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1s5s s GLY 211 CO 0.86 -0.90 -0.19 -0.42 0.00 0.00 0.00 173.10 172.44 1s5s s ILE 212 N -2.33 1.65 -0.06 0.90 1.01 -1.03 -1.48 121.20 119.87 1s5s s ILE 212 Ca -0.07 -0.79 -0.33 0.00 0.00 0.00 0.00 60.65 59.46 1s5s s ILE 212 Cb -0.04 -1.45 -0.11 0.00 0.01 0.00 0.00 42.46 40.88 1s5s s ILE 212 CO -0.04 0.47 1.92 0.52 0.00 0.00 0.00 174.94 177.81 1s5s n VAL 213 N 3.58 0.64 0.00 2.92 0.31 -0.25 -1.42 118.33 124.11 1s5s n VAL 213 Ca -0.20 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1s5s n VAL 213 Cb 0.52 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1s5s n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s5s n SER 214 N 7.05 0.00 -3.31 4.52 2.88 -1.10 -0.67 113.62 122.99 1s5s n SER 214 Ca 0.22 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.66 1s5s n SER 214 Cb 0.33 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 1s5s n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1s5s s TRP 215 N -1.00 0.38 -0.18 0.66 1.48 -0.65 -4.94 118.94 114.70 1s5s s TRP 215 Ca 0.00 -0.86 0.00 0.00 -1.06 0.00 0.00 56.10 54.18 1s5s s TRP 215 Cb 0.00 0.46 0.00 0.00 -1.16 0.00 0.00 33.47 32.77 1s5s s TRP 215 CO 0.00 -1.31 0.00 0.41 -4.06 0.00 0.00 176.95 171.99 1s5s n GLY 216 N -0.51 -0.69 2.98 3.67 0.00 -1.26 -0.65 105.19 108.73 1s5s n GLY 216 Ca -0.04 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1s5s n GLY 216 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s5s s TYR 217 N -3.00 3.49 0.00 1.61 5.04 -1.26 -5.02 117.35 118.20 1s5s s TYR 217 Ca 0.00 -2.96 0.00 0.00 -2.44 0.00 0.00 57.07 51.67 1s5s s TYR 217 Cb 0.00 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.50 1s5s s TYR 217 CO 0.00 -0.90 0.00 0.41 -1.34 0.00 0.00 175.55 173.72 1s5s n GLY 219 N 4.03 2.34 3.26 8.97 0.00 -1.26 -4.72 105.19 117.81 1s5s n GLY 219 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1s5s n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5s n ALA 221 N 1.84 -0.14 -1.78 0.00 0.00 -1.26 -4.88 120.51 114.29 1s5s n ALA 221 Ca -0.18 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1s5s n ALA 221 Cb 0.57 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1s5s n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s5s s GLN 221 N -2.54 4.39 0.26 0.00 -0.21 -1.26 -0.90 119.66 119.40 1s5s s GLN 221 Ca 0.00 1.40 -0.30 0.00 0.02 0.00 0.00 55.36 56.48 1s5s s GLN 221 Cb 0.00 -2.66 -0.13 0.00 1.00 0.00 0.00 33.01 31.22 1s5s s GLN 221 CO 0.00 0.09 1.31 1.17 -2.12 0.00 0.00 175.29 175.74 1s5s n LYS 222 N 0.23 1.90 -1.90 2.91 4.81 -1.26 -2.48 118.16 122.37 1s5s n LYS 222 Ca 0.03 0.67 -0.19 0.00 -0.87 0.00 0.00 58.31 57.96 1s5s n LYS 222 Cb 0.50 -2.27 -0.05 0.00 0.02 0.00 0.00 35.03 33.23 1s5s n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1s5s n ASN 223 N 1.72 -5.15 -3.19 3.14 4.13 0.59 -4.90 115.26 111.60 1s5s n ASN 223 Ca 0.10 0.29 -0.23 0.00 1.68 0.00 0.00 54.58 56.42 1s5s n ASN 223 Cb 0.32 -4.47 -0.05 0.00 -1.54 0.00 0.00 39.78 34.03 1s5s n ASN 223 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1s5s n LYS 224 N -2.54 1.41 -1.37 3.52 4.76 -1.04 -4.74 118.16 118.16 1s5s n LYS 224 Ca -0.20 -3.71 -0.33 0.00 -2.87 0.00 0.00 58.31 51.20 1s5s n LYS 224 Cb 0.64 -1.67 0.09 0.00 -1.84 0.00 0.00 35.03 32.25 1s5s n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s5s s PRO 225 N -2.10 2.19 0.48 1.97 0.04 -1.26 -4.48 135.00 131.83 1s5s s PRO 225 Ca 0.39 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 1s5s s PRO 225 Cb 0.24 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.84 1s5s s PRO 225 CO -0.09 -1.74 1.41 0.41 0.04 0.00 0.00 177.00 177.03 1s5s n GLY 226 N -0.29 0.93 3.48 0.56 0.00 -1.25 -4.79 105.19 103.83 1s5s n GLY 226 Ca 0.11 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1s5s n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5s s VAL 227 N -1.22 3.44 0.03 1.61 1.01 0.17 -2.47 120.40 122.97 1s5s s VAL 227 Ca 0.64 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1s5s s VAL 227 Cb -0.44 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1s5s s VAL 227 CO 0.55 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.77 1s5s s TYR 228 N -0.22 1.15 0.19 5.22 1.51 0.48 -1.64 117.35 124.03 1s5s s TYR 228 Ca 0.02 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.45 1s5s s TYR 228 Cb -0.13 -0.69 -0.10 0.00 -0.11 0.00 0.00 41.96 40.93 1s5s s TYR 228 CO 0.03 0.02 1.47 0.99 -1.11 0.00 0.00 175.55 176.94 1s5s s THR 229 N -0.73 2.81 -0.98 -0.71 2.01 -0.51 -0.95 115.64 116.58 1s5s s THR 229 Ca 0.02 0.62 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 1s5s s THR 229 Cb -0.07 -3.40 0.09 0.00 0.01 0.00 0.00 72.50 69.13 1s5s s THR 229 CO 0.01 0.07 1.30 -0.75 -0.69 0.00 0.00 174.62 174.55 1s5s s LYS 230 N 0.49 3.61 0.56 4.92 2.20 0.03 -2.46 119.74 129.09 1s5s s LYS 230 Ca 0.64 -1.46 0.25 0.00 -0.36 0.00 0.00 55.97 55.04 1s5s s LYS 230 Cb -0.41 -5.14 1.59 0.00 -1.51 0.00 0.00 37.83 32.35 1s5s s LYS 230 CO 0.36 -1.99 2.18 0.28 -0.36 0.00 0.00 175.35 175.82 1s5s h VAL 231 N 6.29 0.69 0.00 4.02 2.07 -1.59 -2.22 116.25 125.51 1s5s h VAL 231 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1s5s h VAL 231 Cb 1.01 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1s5s h VAL 231 CO 1.27 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.86 1s5s n ASN 233 N -1.38 1.06 -0.09 0.00 3.02 -0.83 -4.50 115.26 112.53 1s5s n ASN 233 Ca 0.06 -0.89 0.01 0.00 -0.03 0.00 0.00 54.58 53.73 1s5s n ASN 233 Cb 0.14 0.19 0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1s5s n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1s5s n TYR 234 N -0.69 0.04 -0.31 3.10 4.01 -0.24 -4.74 117.16 118.33 1s5s n TYR 234 Ca 0.11 -0.25 -0.04 0.00 -0.16 0.00 0.00 57.90 57.57 1s5s n TYR 234 Cb 0.36 -0.02 0.10 0.00 -0.31 0.00 0.00 39.34 39.47 1s5s n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s5s h VAL 235 N 0.37 1.25 -0.36 -0.72 2.07 -1.79 0.21 116.25 117.29 1s5s h VAL 235 Ca 0.00 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1s5s h VAL 235 Cb 0.31 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1s5s h VAL 235 CO 0.00 0.29 0.08 0.78 0.02 0.00 0.00 177.57 178.74 1s5s h ASN 236 N 1.22 0.55 -0.90 0.57 2.35 -1.94 -0.10 115.58 117.33 1s5s h ASN 236 Ca 0.31 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1s5s h ASN 236 Cb 0.04 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 1s5s h ASN 236 CO -0.05 0.65 0.59 -0.25 -1.65 0.00 0.00 177.43 176.72 1s5s h TRP 237 N 0.43 1.13 0.18 1.19 7.01 -1.75 0.32 115.95 124.46 1s5s h TRP 237 Ca 0.11 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1s5s h TRP 237 Cb 0.32 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1s5s h TRP 237 CO 0.02 0.72 -0.09 0.82 -2.79 0.00 0.00 178.44 177.11 1s5s h ILE 238 N 1.22 0.90 -0.79 2.65 2.04 -0.76 -1.28 117.51 121.49 1s5s h ILE 238 Ca 0.33 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1s5s h ILE 238 Cb -0.14 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1s5s h ILE 238 CO -0.07 0.10 0.34 -0.61 0.00 0.00 0.00 178.15 177.91 1s5s h GLN 239 N -0.46 1.16 -0.61 2.37 5.75 -0.82 -1.50 115.11 121.00 1s5s h GLN 239 Ca -0.03 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.19 1s5s h GLN 239 Cb 0.35 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1s5s h GLN 239 CO 0.04 0.91 -0.01 1.96 -2.65 0.00 0.00 178.83 179.09 1s5s h GLN 240 N 1.14 1.08 -0.34 1.69 4.20 -0.87 -0.99 115.11 121.02 1s5s h GLN 240 Ca 0.27 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1s5s h GLN 240 Cb 0.17 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1s5s h GLN 240 CO -0.03 1.05 -0.04 1.15 -0.67 0.00 0.00 178.83 180.30 1s5s h THR 241 N 0.98 1.27 -0.25 -0.54 2.02 -1.01 -1.95 112.91 113.44 1s5s h THR 241 Ca 0.17 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1s5s h THR 241 Cb 0.57 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1s5s h THR 241 CO 0.03 0.34 0.06 0.40 0.37 0.00 0.00 175.52 176.72 1s5s h ILE 242 N 0.41 0.90 0.00 3.11 2.04 -1.18 -2.61 117.51 120.18 1s5s h ILE 242 Ca 0.09 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1s5s h ILE 242 Cb 0.51 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1s5s h ILE 242 CO 0.02 0.03 -0.33 0.00 0.00 0.00 0.00 178.15 177.87 1s5s h ALA 243 N 1.17 1.19 0.00 1.87 0.00 -0.97 -2.95 119.26 119.57 1s5s h ALA 243 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1s5s h ALA 243 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1s5s h ALA 243 CO -0.14 0.41 -0.37 0.00 0.00 0.00 0.00 179.25 179.16 1s5s n ALA 244 N -2.36 2.74 -0.40 0.00 0.00 -0.75 -5.10 120.51 114.64 1s5s n ALA 244 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1s5s n ALA 244 Cb 0.42 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1s5s n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59