#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4t s GLN 2 N 0.00 1.11 0.13 5.55 0.74 -1.26 -1.58 119.66 124.35 1b4t s GLN 2 Ca 0.00 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.02 1b4t s GLN 2 Cb 0.00 -1.03 -0.04 0.00 1.10 0.00 0.00 33.01 33.04 1b4t s GLN 2 CO 0.00 0.18 -0.01 0.00 -0.55 0.00 0.00 175.29 174.91 1b4t s ALA 3 N 0.02 1.04 -0.07 1.58 0.00 0.13 -1.66 121.76 122.80 1b4t s ALA 3 Ca -0.01 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 1b4t s ALA 3 Cb -0.08 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.56 1b4t s ALA 3 CO 0.00 -0.34 0.39 0.54 0.00 0.00 0.00 175.76 176.35 1b4t s VAL 4 N -3.77 0.03 -0.05 0.00 0.11 0.64 -0.42 120.40 116.94 1b4t s VAL 4 Ca 0.19 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1b4t s VAL 4 Cb 0.06 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1b4t s VAL 4 CO -0.01 -0.14 -0.06 0.00 -3.33 0.00 0.00 175.10 171.57 1b4t s ALA 5 N -0.74 0.85 -0.38 1.54 0.00 0.15 -0.44 121.76 122.73 1b4t s ALA 5 Ca -0.08 -0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 1b4t s ALA 5 Cb -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1b4t s ALA 5 CO 0.03 -0.02 0.25 0.08 0.00 0.00 0.00 175.76 176.11 1b4t s VAL 6 N 0.92 4.97 -0.08 0.00 1.01 -1.26 -0.80 120.40 125.17 1b4t s VAL 6 Ca -0.11 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1b4t s VAL 6 Cb -0.15 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1b4t s VAL 6 CO 0.00 -0.22 1.05 -0.76 0.00 0.00 0.00 175.10 175.17 1b4t s LEU 7 N 1.64 4.27 0.04 3.92 1.43 -0.61 -3.96 118.68 125.40 1b4t s LEU 7 Ca 0.04 1.61 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1b4t s LEU 7 Cb -0.19 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1b4t s LEU 7 CO 0.09 -0.45 0.00 -0.54 0.23 0.00 0.00 176.35 175.68 1b4t s LYS 8 N 1.91 0.54 0.01 1.70 1.02 -0.45 -2.57 119.74 121.91 1b4t s LYS 8 Ca 0.50 -0.97 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 1b4t s LYS 8 Cb -0.20 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.32 1b4t s LYS 8 CO 0.20 -0.11 0.19 0.41 -0.92 0.00 0.00 175.35 175.12 1b4t n GLY 9 N 0.59 0.81 0.70 -3.33 0.00 -1.26 -2.21 105.19 100.50 1b4t n GLY 9 Ca -0.17 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.02 1b4t n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4t n ASP 10 N -0.46 3.40 -1.15 1.61 8.00 -1.26 -4.56 116.55 122.14 1b4t n ASP 10 Ca 0.00 -2.74 0.08 0.00 0.71 0.00 0.00 54.79 52.84 1b4t n ASP 10 Cb 0.09 -0.43 0.28 0.00 -0.02 0.00 0.00 41.12 41.04 1b4t n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4t n ALA 11 N -0.37 2.96 -0.43 2.24 0.00 -1.26 -4.95 120.51 118.69 1b4t n ALA 11 Ca 0.17 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.79 1b4t n ALA 11 Cb 0.72 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1b4t n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4t n GLY 12 N 0.29 2.10 3.83 0.00 0.00 -1.26 -5.01 105.19 105.14 1b4t n GLY 12 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1b4t n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4t s VAL 13 N -3.39 5.01 0.21 1.61 1.01 -1.26 -4.31 120.40 119.27 1b4t s VAL 13 Ca 0.00 0.87 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 1b4t s VAL 13 Cb 0.00 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1b4t s VAL 13 CO 0.00 0.57 0.65 -0.94 0.00 0.00 0.00 175.10 175.38 1b4t s SER 14 N -1.02 -0.44 0.00 3.32 1.04 -0.70 -4.05 113.70 111.85 1b4t s SER 14 Ca 0.24 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1b4t s SER 14 Cb -0.17 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1b4t s SER 14 CO 0.14 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1b4t n GLY 15 N -0.41 -1.07 2.91 7.32 0.00 -1.06 0.07 105.19 112.94 1b4t n GLY 15 Ca -0.12 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1b4t n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4t s VAL 16 N -3.00 0.01 -0.11 1.61 1.01 -0.02 -1.58 120.40 118.33 1b4t s VAL 16 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1b4t s VAL 16 Cb 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.33 1b4t s VAL 16 CO 0.00 -0.06 -0.08 -0.69 0.00 0.00 0.00 175.10 174.27 1b4t s VAL 17 N -0.17 1.05 0.03 2.92 1.01 0.02 -1.82 120.40 123.45 1b4t s VAL 17 Ca -0.02 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1b4t s VAL 17 Cb -0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1b4t s VAL 17 CO -0.00 0.37 0.06 -0.54 0.00 0.00 0.00 175.10 174.99 1b4t s LYS 18 N 1.62 2.90 -0.02 2.72 1.02 0.80 -0.67 119.74 128.11 1b4t s LYS 18 Ca 0.03 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.45 1b4t s LYS 18 Cb -0.13 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 1b4t s LYS 18 CO -0.07 0.60 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.75 1b4t s PHE 19 N -1.25 1.37 -0.05 3.18 0.40 0.44 -1.54 117.98 120.53 1b4t s PHE 19 Ca 0.25 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1b4t s PHE 19 Cb -0.12 -0.89 0.04 0.00 0.51 0.00 0.00 43.02 42.56 1b4t s PHE 19 CO 0.16 -0.04 0.10 -2.00 0.70 0.00 0.00 175.22 174.14 1b4t s GLU 20 N -0.29 -0.01 -0.13 0.44 2.12 -0.88 -0.69 118.70 119.26 1b4t s GLU 20 Ca 0.04 0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 1b4t s GLU 20 Cb -0.06 -0.33 0.06 0.00 0.26 0.00 0.00 34.13 34.06 1b4t s GLU 20 CO -0.00 -0.26 0.21 -1.14 -0.54 0.00 0.00 175.26 173.52 1b4t s GLN 21 N 1.82 0.11 -0.02 4.30 0.74 -0.61 -1.01 119.66 124.99 1b4t s GLN 21 Ca -0.01 0.52 -0.25 0.00 0.05 0.00 0.00 55.36 55.66 1b4t s GLN 21 Cb -0.12 -0.47 -0.20 0.00 1.10 0.00 0.00 33.01 33.32 1b4t s GLN 21 CO -0.04 -0.40 1.24 0.00 -0.55 0.00 0.00 175.29 175.54 1b4t h ALA 22 N 8.33 -0.06 -2.43 1.58 0.00 -1.85 0.64 119.26 125.47 1b4t h ALA 22 Ca -0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 1b4t h ALA 22 Cb 1.13 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 1b4t h ALA 22 CO 0.18 -0.29 -0.59 -1.54 0.00 0.00 0.00 179.25 177.00 1b4t s SER 23 N -5.61 0.29 0.24 0.00 1.04 -1.26 -4.27 113.70 104.13 1b4t s SER 23 Ca -0.15 -1.10 -0.05 0.00 0.48 0.00 0.00 55.95 55.13 1b4t s SER 23 Cb 0.02 0.30 0.39 0.00 0.10 0.00 0.00 66.02 66.84 1b4t s SER 23 CO 0.65 -0.73 1.80 -0.08 0.98 0.00 0.00 173.24 175.85 1b4t h GLU 24 N 2.86 0.73 0.00 4.02 4.81 -1.91 -2.24 114.58 122.84 1b4t h GLU 24 Ca -0.34 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1b4t h GLU 24 Cb 1.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1b4t h GLU 24 CO 0.58 0.48 -0.17 0.66 -0.73 0.00 0.00 179.01 179.84 1b4t h SER 25 N 0.75 0.00 -3.58 1.04 4.64 -1.97 -3.45 113.55 110.98 1b4t h SER 25 Ca 0.39 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.20 1b4t h SER 25 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1b4t h SER 25 CO -0.26 0.17 0.16 -0.70 -0.87 0.00 0.00 176.83 175.33 1b4t s GLU 26 N -3.73 4.41 0.79 4.77 -6.30 -0.84 -5.05 118.70 112.74 1b4t s GLU 26 Ca 0.00 1.03 -0.12 0.00 -2.50 0.00 0.00 54.97 53.38 1b4t s GLU 26 Cb 0.10 -3.02 0.07 0.00 0.00 0.00 0.00 34.13 31.28 1b4t s GLU 26 CO 0.61 0.46 1.13 -1.25 0.02 0.00 0.00 175.26 176.23 1b4t s PRO 27 N -1.65 1.94 -0.12 4.30 0.04 -1.26 -4.78 135.00 133.47 1b4t s PRO 27 Ca 0.41 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 1b4t s PRO 27 Cb -0.19 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1b4t s PRO 27 CO 0.23 -1.92 0.31 0.99 0.04 0.00 0.00 177.00 176.65 1b4t s THR 28 N -2.55 5.26 -0.24 1.26 2.01 -0.38 -4.71 115.64 116.29 1b4t s THR 28 Ca 0.66 0.59 -0.18 0.00 0.31 0.00 0.00 61.69 63.08 1b4t s THR 28 Cb -0.22 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1b4t s THR 28 CO 0.52 0.46 0.51 -0.89 -0.69 0.00 0.00 174.62 174.53 1b4t s THR 29 N -0.07 5.09 -0.21 -0.82 2.01 -0.18 -1.38 115.64 120.08 1b4t s THR 29 Ca 0.18 0.88 -0.08 0.00 0.31 0.00 0.00 61.69 62.99 1b4t s THR 29 Cb -0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1b4t s THR 29 CO 0.06 0.12 0.07 -0.69 -0.69 0.00 0.00 174.62 173.49 1b4t s VAL 30 N 2.10 4.66 -0.06 3.82 1.01 0.20 -2.07 120.40 130.07 1b4t s VAL 30 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1b4t s VAL 30 Cb -0.16 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1b4t s VAL 30 CO 0.09 0.41 -0.18 -0.44 0.00 0.00 0.00 175.10 174.98 1b4t s SER 31 N 0.84 2.29 0.06 3.32 0.01 -0.59 -0.66 113.70 118.98 1b4t s SER 31 Ca 0.04 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1b4t s SER 31 Cb -0.14 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 1b4t s SER 31 CO 0.02 0.13 -0.05 -0.72 0.41 0.00 0.00 173.24 173.04 1b4t s TYR 32 N 0.25 0.63 -0.23 2.43 1.13 -0.41 -0.14 117.35 121.01 1b4t s TYR 32 Ca -0.09 -0.89 -0.04 0.00 -1.41 0.00 0.00 57.07 54.64 1b4t s TYR 32 Cb -0.14 -0.41 0.12 0.00 -1.10 0.00 0.00 41.96 40.43 1b4t s TYR 32 CO 0.04 -0.24 0.39 -2.00 -2.51 0.00 0.00 175.55 171.22 1b4t s GLU 33 N -3.32 0.34 -0.04 -3.49 2.12 -0.75 -1.55 118.70 112.00 1b4t s GLU 33 Ca 0.04 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.08 1b4t s GLU 33 Cb 0.03 -0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.24 1b4t s GLU 33 CO -0.06 -0.51 -0.05 0.42 -0.54 0.00 0.00 175.26 174.52 1b4t s ILE 34 N 2.57 0.56 0.37 -3.70 1.01 0.65 -0.84 121.20 121.82 1b4t s ILE 34 Ca 0.08 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.66 1b4t s ILE 34 Cb -0.14 -0.57 -0.07 0.00 0.01 0.00 0.00 42.46 41.69 1b4t s ILE 34 CO -0.15 0.22 -0.03 0.00 0.00 0.00 0.00 174.94 174.99 1b4t s ALA 35 N 0.75 3.11 0.00 9.38 0.00 0.11 -0.11 121.76 135.00 1b4t s ALA 35 Ca -0.10 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 49.72 1b4t s ALA 35 Cb -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1b4t s ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1b4t n GLY 36 N -0.91 0.62 3.97 0.00 0.00 -1.19 -1.72 105.19 105.97 1b4t n GLY 36 Ca -0.05 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1b4t n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b4t s ASN 37 N -2.27 4.05 0.45 1.61 0.01 -0.65 -4.41 114.94 113.72 1b4t s ASN 37 Ca 0.00 -0.13 -0.24 0.00 -0.71 0.00 0.00 52.86 51.78 1b4t s ASN 37 Cb 0.00 -0.18 -0.07 0.00 0.41 0.00 0.00 41.25 41.40 1b4t s ASN 37 CO 0.00 -2.08 1.22 -0.44 -1.51 0.00 0.00 177.10 174.29 1b4t s SER 38 N -4.76 6.14 0.42 -1.22 0.01 -1.26 -4.41 113.70 108.62 1b4t s SER 38 Ca 0.68 2.44 -0.22 0.00 1.31 0.00 0.00 55.95 60.16 1b4t s SER 38 Cb -0.05 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.46 1b4t s SER 38 CO 0.47 -0.95 0.99 -2.16 0.41 0.00 0.00 173.24 172.00 1b4t s PRO 39 N -2.56 4.17 -1.16 12.44 0.04 -1.26 -4.17 135.00 142.50 1b4t s PRO 39 Ca 0.62 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 1b4t s PRO 39 Cb -0.32 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1b4t s PRO 39 CO 0.40 -0.10 0.76 0.09 0.04 0.00 0.00 177.00 178.18 1b4t n ASN 40 N -0.42 -4.95 -3.99 6.66 3.02 0.17 -4.93 115.26 110.83 1b4t n ASN 40 Ca 0.06 -1.11 -0.13 0.00 -0.03 0.00 0.00 54.58 53.37 1b4t n ASN 40 Cb 0.52 -2.77 -0.09 0.00 -0.61 0.00 0.00 39.78 36.83 1b4t n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4t s ALA 41 N -3.47 1.08 -0.14 5.41 0.00 -1.22 -4.94 121.76 118.48 1b4t s ALA 41 Ca 0.48 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1b4t s ALA 41 Cb -0.20 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.27 1b4t s ALA 41 CO 0.90 -0.65 -0.19 -1.21 0.00 0.00 0.00 175.76 174.62 1b4t s GLU 42 N -3.97 3.14 -0.05 0.00 2.02 -1.26 -0.86 118.70 117.71 1b4t s GLU 42 Ca 0.37 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.61 1b4t s GLU 42 Cb 0.05 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 1b4t s GLU 42 CO 0.15 0.04 -0.23 1.03 0.02 0.00 0.00 175.26 176.27 1b4t s ARG 43 N 0.72 2.36 0.30 1.61 1.81 -0.65 -3.45 118.95 121.64 1b4t s ARG 43 Ca -0.08 -0.83 -0.30 0.00 -1.72 0.00 0.00 55.73 52.81 1b4t s ARG 43 Cb -0.16 -2.00 -0.12 0.00 -0.45 0.00 0.00 34.95 32.23 1b4t s ARG 43 CO 0.01 0.34 1.59 0.41 -0.68 0.00 0.00 175.30 176.96 1b4t n GLY 44 N 3.01 1.33 2.79 -3.53 0.00 -0.42 -0.78 105.19 107.59 1b4t n GLY 44 Ca -0.18 0.45 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1b4t n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b4t s PHE 45 N -0.11 1.53 0.11 1.61 5.36 -0.27 0.04 117.98 126.25 1b4t s PHE 45 Ca 0.63 -1.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.33 1b4t s PHE 45 Cb -0.49 -1.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.81 1b4t s PHE 45 CO 0.50 -0.72 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.46 1b4t s HIS 46 N 1.68 0.96 -0.19 10.12 3.76 -0.04 -3.01 115.29 128.58 1b4t s HIS 46 Ca 0.00 -0.88 -0.05 0.00 -0.15 0.00 0.00 55.06 53.98 1b4t s HIS 46 Cb -0.18 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 1b4t s HIS 46 CO -0.12 -0.10 0.00 0.42 -0.85 0.00 0.00 174.74 174.09 1b4t s ILE 47 N -3.54 4.07 0.24 0.60 1.01 -0.30 0.46 121.20 123.73 1b4t s ILE 47 Ca 0.13 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.55 1b4t s ILE 47 Cb 0.05 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 1b4t s ILE 47 CO -0.04 0.44 0.36 0.00 0.00 0.00 0.00 174.94 175.70 1b4t h GLU 49 N 1.17 0.72 -6.08 0.00 4.81 -0.89 -3.02 114.58 111.28 1b4t h GLU 49 Ca -0.52 -0.04 -0.66 0.00 -0.13 0.00 0.00 59.36 58.01 1b4t h GLU 49 Cb 1.23 -0.16 -0.13 0.00 0.63 0.00 0.00 28.75 30.32 1b4t h GLU 49 CO 0.61 0.48 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.68 1b4t s PHE 50 N -6.11 3.15 -0.77 0.92 0.08 -0.30 -4.67 117.98 110.27 1b4t s PHE 50 Ca -0.13 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.03 1b4t s PHE 50 Cb 0.15 -1.71 0.25 0.00 -0.57 0.00 0.00 43.02 41.15 1b4t s PHE 50 CO 0.76 0.49 2.24 0.41 -0.10 0.00 0.00 175.22 179.02 1b4t n GLY 51 N 1.41 5.23 3.26 4.36 0.00 -0.93 -3.00 105.19 115.52 1b4t n GLY 51 Ca -0.15 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.20 1b4t n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b4t s ASP 52 N -0.63 5.28 -0.29 1.61 -1.08 -1.26 -4.93 116.67 115.36 1b4t s ASP 52 Ca 0.53 -1.17 0.11 0.00 -0.52 0.00 0.00 52.55 51.49 1b4t s ASP 52 Cb 0.39 -1.85 0.63 0.00 -1.46 0.00 0.00 42.92 40.62 1b4t s ASP 52 CO -0.32 -0.33 1.64 0.00 0.52 0.00 0.00 175.17 176.68 1b4t n ALA 53 N 4.79 4.24 0.23 3.66 0.00 -1.26 -3.27 120.51 128.90 1b4t n ALA 53 Ca -0.12 -2.60 0.10 0.00 0.00 0.00 0.00 53.44 50.82 1b4t n ALA 53 Cb 0.44 -1.01 0.51 0.00 0.00 0.00 0.00 19.45 19.40 1b4t n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1b4t h THR 54 N 1.87 0.59 -2.22 0.00 1.35 -1.93 -3.31 112.91 109.25 1b4t h THR 54 Ca 0.23 -1.02 -0.58 0.00 -0.55 0.00 0.00 66.41 64.49 1b4t h THR 54 Cb 2.01 1.68 -0.40 0.00 -1.73 0.00 0.00 68.15 69.71 1b4t h THR 54 CO 0.57 0.21 -0.88 -3.20 -0.25 0.00 0.00 175.52 171.97 1b4t n ASN 55 N -3.46 1.42 0.00 5.36 5.15 -1.26 -5.06 115.26 117.40 1b4t n ASN 55 Ca -0.00 -2.92 0.00 0.00 -0.60 0.00 0.00 54.58 51.06 1b4t n ASN 55 Cb 0.39 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1b4t n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b4t n GLY 56 N 1.52 2.88 0.48 8.20 0.00 -1.25 -2.17 105.19 114.85 1b4t n GLY 56 Ca 0.25 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1b4t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4t h VAL 58 N 2.37 1.41 0.00 0.00 2.07 -1.77 -3.11 116.25 117.22 1b4t h VAL 58 Ca 0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1b4t h VAL 58 Cb 0.69 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1b4t h VAL 58 CO 0.00 0.66 0.00 -1.54 0.02 0.00 0.00 177.57 176.71 1b4t n SER 59 N -3.80 0.00 0.24 0.57 3.41 -1.13 -2.47 113.62 110.45 1b4t n SER 59 Ca -0.03 -0.67 0.13 0.00 -0.26 0.00 0.00 58.87 58.04 1b4t n SER 59 Cb 0.71 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 65.15 1b4t n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4t h ALA 60 N 3.33 0.99 -0.04 7.33 0.00 -1.52 -3.38 119.26 125.97 1b4t h ALA 60 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1b4t h ALA 60 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1b4t h ALA 60 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1b4t n GLY 61 N 0.32 -1.43 3.85 0.00 0.00 -1.03 -1.15 105.19 105.75 1b4t n GLY 61 Ca 0.01 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1b4t n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4t s PRO 62 N 0.00 1.54 0.47 1.61 0.04 -1.26 -4.67 135.00 132.73 1b4t s PRO 62 Ca 0.00 0.17 -0.24 0.00 0.04 0.00 0.00 61.00 60.97 1b4t s PRO 62 Cb 0.00 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 1b4t s PRO 62 CO 0.00 -1.90 1.39 0.72 0.04 0.00 0.00 177.00 177.25 1b4t n HIS 63 N -3.54 2.51 -1.79 0.56 8.25 -1.26 -0.72 115.22 119.23 1b4t n HIS 63 Ca 0.08 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.56 1b4t n HIS 63 Cb 0.60 -2.42 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 1b4t n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1b4t s PHE 64 N -1.22 1.96 -0.44 4.41 5.36 -0.38 -4.48 117.98 123.19 1b4t s PHE 64 Ca 0.64 -0.04 0.08 0.00 -0.96 0.00 0.00 56.93 56.65 1b4t s PHE 64 Cb -0.45 -4.12 0.27 0.00 -0.34 0.00 0.00 43.02 38.39 1b4t s PHE 64 CO 0.56 -4.71 0.80 -1.71 -1.46 0.00 0.00 175.22 168.70 1b4t n ASN 65 N 6.33 -1.31 0.30 6.13 5.15 -1.26 -1.75 115.26 128.86 1b4t n ASN 65 Ca 0.18 -3.15 0.18 0.00 -0.60 0.00 0.00 54.58 51.19 1b4t n ASN 65 Cb 0.40 0.73 0.96 0.00 -0.53 0.00 0.00 39.78 41.34 1b4t n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1b4t h PRO 66 N 3.67 0.00 -0.68 1.20 0.13 -1.98 -2.59 132.00 131.74 1b4t h PRO 66 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1b4t h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1b4t h PRO 66 CO 0.36 0.03 0.00 1.19 -0.23 0.00 0.00 178.00 179.35 1b4t n PHE 67 N -3.39 0.98 -3.94 1.56 3.72 -1.26 -4.98 117.46 110.16 1b4t n PHE 67 Ca -0.02 -0.47 -0.27 0.00 -0.05 0.00 0.00 57.45 56.63 1b4t n PHE 67 Cb 0.15 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1b4t n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1b4t n LYS 68 N 1.45 -3.98 -3.13 -1.08 5.02 -0.98 -5.00 118.16 110.46 1b4t n LYS 68 Ca 0.23 0.48 -0.20 0.00 -2.02 0.00 0.00 58.31 56.80 1b4t n LYS 68 Cb 0.61 -4.92 0.04 0.00 -0.02 0.00 0.00 35.03 30.75 1b4t n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b4t s LYS 69 N -6.51 2.39 0.57 1.97 1.02 -1.26 -5.13 119.74 112.79 1b4t s LYS 69 Ca 0.24 -1.61 -0.01 0.00 0.02 0.00 0.00 55.97 54.61 1b4t s LYS 69 Cb -0.13 -2.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1b4t s LYS 69 CO 0.87 -0.73 0.81 0.95 -0.92 0.00 0.00 175.35 176.34 1b4t s THR 70 N -2.62 2.83 0.18 2.17 -4.23 -1.26 -4.75 115.64 107.96 1b4t s THR 70 Ca 0.58 -0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 1b4t s THR 70 Cb -0.06 -3.09 -0.08 0.00 1.34 0.00 0.00 72.50 70.60 1b4t s THR 70 CO 0.36 -0.07 1.26 -2.28 -0.54 0.00 0.00 174.62 173.35 1b4t s HIS 71 N -2.84 3.33 0.02 3.99 2.46 -0.27 -3.15 115.29 118.82 1b4t s HIS 71 Ca 0.56 1.30 -0.00 0.00 0.47 0.00 0.00 55.06 57.39 1b4t s HIS 71 Cb -0.10 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 1b4t s HIS 71 CO 0.40 -1.60 0.03 0.41 -2.47 0.00 0.00 174.74 171.51 1b4t n GLY 72 N 2.36 3.03 3.90 1.59 0.00 -1.26 -4.12 105.19 110.69 1b4t n GLY 72 Ca 0.06 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 1b4t n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4t s ALA 73 N -1.62 3.37 0.57 4.61 0.00 -1.24 -4.74 121.76 122.71 1b4t s ALA 73 Ca 0.02 -0.42 0.26 0.00 0.00 0.00 0.00 51.96 51.82 1b4t s ALA 73 Cb -0.00 -2.64 1.66 0.00 0.00 0.00 0.00 23.12 22.14 1b4t s ALA 73 CO 0.01 -0.29 2.22 -1.00 0.00 0.00 0.00 175.76 176.70 1b4t h PRO 74 N 0.42 0.00 -0.00 0.00 0.13 -1.89 -0.59 132.00 130.07 1b4t h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1b4t h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1b4t h PRO 74 CO 0.62 0.00 -0.09 0.25 -0.23 0.00 0.00 178.00 178.55 1b4t n THR 75 N -4.06 0.00 -2.15 1.56 -2.24 -1.26 -4.89 114.28 101.24 1b4t n THR 75 Ca -0.03 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1b4t n THR 75 Cb 0.09 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1b4t n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1b4t s ASP 76 N -2.69 5.92 0.07 3.42 1.01 -0.23 -4.96 116.67 119.21 1b4t s ASP 76 Ca 0.23 1.83 -0.04 0.00 0.71 0.00 0.00 52.55 55.28 1b4t s ASP 76 Cb 0.20 -2.54 -0.28 0.00 1.01 0.00 0.00 42.92 41.30 1b4t s ASP 76 CO 0.51 -1.07 1.13 -0.08 0.21 0.00 0.00 175.17 175.86 1b4t h GLU 77 N 0.66 0.27 -4.49 8.23 4.81 -1.90 -3.41 114.58 118.75 1b4t h GLU 77 Ca -0.47 -0.47 -0.72 0.00 -0.13 0.00 0.00 59.36 57.57 1b4t h GLU 77 Cb 1.22 0.17 -0.23 0.00 0.63 0.00 0.00 28.75 30.54 1b4t h GLU 77 CO 0.58 1.22 -0.45 0.08 -0.73 0.00 0.00 179.01 179.71 1b4t s VAL 78 N -2.65 4.87 0.11 0.32 1.01 -1.26 -5.02 120.40 117.78 1b4t s VAL 78 Ca -0.04 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1b4t s VAL 78 Cb 0.07 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.74 1b4t s VAL 78 CO 0.88 -0.35 0.86 0.00 0.00 0.00 0.00 175.10 176.49 1b4t s ARG 79 N 1.60 1.12 0.57 2.72 1.70 -1.21 -4.13 118.95 121.31 1b4t s ARG 79 Ca 0.03 -0.53 -0.12 0.00 -0.47 0.00 0.00 55.73 54.65 1b4t s ARG 79 Cb -0.20 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 1b4t s ARG 79 CO 0.07 -0.50 0.99 -1.01 -1.08 0.00 0.00 175.30 173.76 1b4t s HIS 80 N -3.35 3.57 0.22 5.89 3.76 -1.19 -4.72 115.29 119.46 1b4t s HIS 80 Ca 0.08 1.29 -0.06 0.00 -0.15 0.00 0.00 55.06 56.22 1b4t s HIS 80 Cb -0.02 -2.69 0.19 0.00 1.11 0.00 0.00 32.58 31.16 1b4t s HIS 80 CO -0.04 -0.54 1.71 0.28 -0.85 0.00 0.00 174.74 175.30 1b4t h VAL 81 N 0.15 1.26 0.00 -0.90 2.07 -1.71 -2.66 116.25 114.45 1b4t h VAL 81 Ca -0.45 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1b4t h VAL 81 Cb 1.19 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1b4t h VAL 81 CO 0.62 0.38 0.00 0.61 0.02 0.00 0.00 177.57 179.20 1b4t n GLY 82 N -0.58 -0.18 3.48 2.17 0.00 -0.95 -4.55 105.19 104.58 1b4t n GLY 82 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1b4t n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b4t s ASP 83 N -0.69 6.28 -0.00 1.61 1.01 -1.01 -1.15 116.67 122.71 1b4t s ASP 83 Ca 0.00 -1.13 0.18 0.00 0.71 0.00 0.00 52.55 52.31 1b4t s ASP 83 Cb 0.00 -2.45 0.53 0.00 1.01 0.00 0.00 42.92 42.00 1b4t s ASP 83 CO 0.00 -1.45 1.44 0.23 0.21 0.00 0.00 175.17 175.60 1b4t n MET 84 N 7.88 2.81 0.00 8.23 2.81 -1.16 -3.98 117.12 133.71 1b4t n MET 84 Ca 0.05 -2.45 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 1b4t n MET 84 Cb 0.47 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1b4t n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b4t n GLY 85 N 1.21 0.71 3.35 3.03 0.00 -1.24 -4.82 105.19 107.43 1b4t n GLY 85 Ca 0.20 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1b4t n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b4t s ASN 86 N -4.00 3.17 -0.05 1.61 0.01 -1.26 -1.11 114.94 113.31 1b4t s ASN 86 Ca 0.00 -0.63 -0.00 0.00 -0.71 0.00 0.00 52.86 51.52 1b4t s ASN 86 Cb 0.00 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.36 1b4t s ASN 86 CO 0.00 0.23 0.00 0.68 -1.51 0.00 0.00 177.10 176.50 1b4t s VAL 87 N -0.87 4.23 0.10 1.60 -7.23 0.04 -4.86 120.40 113.40 1b4t s VAL 87 Ca 0.12 -0.41 -0.21 0.00 -1.81 0.00 0.00 61.98 59.67 1b4t s VAL 87 Cb -0.10 -2.83 -0.07 0.00 0.56 0.00 0.00 36.38 33.94 1b4t s VAL 87 CO 0.03 0.50 0.62 -0.54 -0.31 0.00 0.00 175.10 175.40 1b4t s LYS 88 N -1.19 4.29 0.07 4.82 1.02 -1.26 -1.64 119.74 125.84 1b4t s LYS 88 Ca 0.16 0.84 0.04 0.00 0.02 0.00 0.00 55.97 57.03 1b4t s LYS 88 Cb -0.11 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1b4t s LYS 88 CO 0.06 0.61 -0.00 0.95 -0.92 0.00 0.00 175.35 176.05 1b4t s THR 89 N -1.14 4.02 0.00 2.17 -4.23 -0.04 -4.27 115.64 112.15 1b4t s THR 89 Ca 0.31 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1b4t s THR 89 Cb -0.20 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1b4t s THR 89 CO 0.21 0.18 0.00 -0.90 -0.54 0.00 0.00 174.62 173.57 1b4t n ASP 90 N 0.76 0.00 0.21 3.99 5.68 0.13 -2.55 116.55 124.77 1b4t n ASP 90 Ca -0.12 -0.85 0.15 0.00 -0.50 0.00 0.00 54.79 53.48 1b4t n ASP 90 Cb 0.52 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.19 1b4t n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1b4t h GLU 91 N 0.00 0.00 -0.56 0.11 9.09 -1.91 0.11 114.58 121.42 1b4t h GLU 91 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1b4t h GLU 91 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1b4t h GLU 91 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1b4t n ASN 92 N -2.61 3.64 -0.23 3.06 4.13 -1.26 -4.77 115.26 117.22 1b4t n ASN 92 Ca 0.00 -1.98 -0.03 0.00 1.68 0.00 0.00 54.58 54.25 1b4t n ASN 92 Cb 0.18 -0.37 -0.01 0.00 -1.54 0.00 0.00 39.78 38.03 1b4t n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b4t n GLY 93 N 1.45 0.62 3.85 7.41 0.00 0.01 -4.68 105.19 113.85 1b4t n GLY 93 Ca 0.21 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 1b4t n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b4t s VAL 94 N -2.05 5.48 -0.20 1.61 1.01 -1.26 -1.64 120.40 123.35 1b4t s VAL 94 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1b4t s VAL 94 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1b4t s VAL 94 CO 0.00 0.59 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 1b4t s ALA 95 N -0.79 2.43 -0.04 5.51 0.00 0.84 -0.69 121.76 129.03 1b4t s ALA 95 Ca 0.14 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1b4t s ALA 95 Cb -0.12 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1b4t s ALA 95 CO 0.03 -0.49 -0.06 0.21 0.00 0.00 0.00 175.76 175.44 1b4t s LYS 96 N 1.29 0.91 0.00 0.00 2.20 -1.26 -0.25 119.74 122.62 1b4t s LYS 96 Ca 0.03 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1b4t s LYS 96 Cb -0.14 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 1b4t s LYS 96 CO -0.10 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1b4t n GLY 97 N 3.75 0.67 3.48 5.54 0.00 -0.59 -5.00 105.19 113.04 1b4t n GLY 97 Ca -0.23 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1b4t n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b4t s SER 98 N -0.99 -0.49 -0.04 1.61 0.15 -1.26 -1.29 113.70 111.40 1b4t s SER 98 Ca 0.00 0.12 -0.31 0.00 0.70 0.00 0.00 55.95 56.47 1b4t s SER 98 Cb 0.00 0.48 0.12 0.00 -1.71 0.00 0.00 66.02 64.91 1b4t s SER 98 CO 0.00 -0.74 1.17 0.72 1.20 0.00 0.00 173.24 175.60 1b4t s PHE 99 N -2.96 -0.11 0.11 3.44 -0.71 0.16 -4.99 117.98 112.92 1b4t s PHE 99 Ca 0.01 -0.01 0.09 0.00 -1.04 0.00 0.00 56.93 55.98 1b4t s PHE 99 Cb -0.01 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1b4t s PHE 99 CO -0.07 -0.37 -0.21 0.15 -1.34 0.00 0.00 175.22 173.38 1b4t s LYS 100 N -2.63 1.71 -0.04 1.99 1.02 -1.26 0.58 119.74 121.12 1b4t s LYS 100 Ca 0.12 -1.20 -0.05 0.00 0.02 0.00 0.00 55.97 54.85 1b4t s LYS 100 Cb 0.02 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1b4t s LYS 100 CO -0.04 0.48 0.14 0.34 -0.92 0.00 0.00 175.35 175.35 1b4t s ASP 101 N -2.00 -0.11 0.03 2.83 2.15 -0.48 -4.96 116.67 114.13 1b4t s ASP 101 Ca 0.16 0.18 0.23 0.00 0.43 0.00 0.00 52.55 53.55 1b4t s ASP 101 Cb -0.10 0.27 0.02 0.00 -0.30 0.00 0.00 42.92 42.81 1b4t s ASP 101 CO 0.08 -0.11 1.01 -1.54 -0.17 0.00 0.00 175.17 174.44 1b4t n SER 102 N 2.69 0.64 -0.00 -0.34 3.41 -1.26 -1.25 113.62 117.51 1b4t n SER 102 Ca -0.15 -0.38 -0.14 0.00 -0.26 0.00 0.00 58.87 57.95 1b4t n SER 102 Cb 0.58 0.85 -0.14 0.00 -0.26 0.00 0.00 64.21 65.24 1b4t n SER 102 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1b4t h LEU 103 N 0.00 0.18 -9.36 1.04 3.38 -1.97 -3.46 115.31 105.12 1b4t h LEU 103 Ca 0.00 -0.37 -0.55 0.00 0.09 0.00 0.00 57.88 57.05 1b4t h LEU 103 Cb 0.67 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1b4t h LEU 103 CO 0.00 1.33 0.61 -0.63 0.09 0.00 0.00 178.44 179.84 1b4t s ILE 104 N -2.59 4.35 0.05 1.22 1.01 -1.26 -5.01 121.20 118.96 1b4t s ILE 104 Ca -0.11 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1b4t s ILE 104 Cb 0.07 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1b4t s ILE 104 CO 0.81 0.05 -0.06 -0.54 0.00 0.00 0.00 174.94 175.19 1b4t s LYS 105 N 1.77 0.53 0.00 2.79 1.02 -1.26 -4.00 119.74 120.60 1b4t s LYS 105 Ca 0.55 -0.85 0.18 0.00 0.02 0.00 0.00 55.97 55.87 1b4t s LYS 105 Cb -0.24 -0.15 0.15 0.00 -0.52 0.00 0.00 37.83 37.07 1b4t s LYS 105 CO 0.24 0.00 1.08 1.28 -0.92 0.00 0.00 175.35 177.03 1b4t n LEU 106 N 1.15 2.53 -4.04 3.17 4.77 -1.26 -1.55 117.00 121.76 1b4t n LEU 106 Ca -0.21 -1.01 -0.16 0.00 -0.03 0.00 0.00 56.01 54.60 1b4t n LEU 106 Cb 0.56 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.52 1b4t n LEU 106 CO 0.23 0.45 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.68 1b4t s ILE 107 N -1.51 0.64 0.00 -0.08 1.01 -1.26 -4.80 121.20 115.20 1b4t s ILE 107 Ca 0.21 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1b4t s ILE 107 Cb 0.15 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1b4t s ILE 107 CO 0.23 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1b4t n GLY 108 N 2.15 -3.45 0.20 6.18 0.00 -1.26 -4.41 105.19 104.60 1b4t n GLY 108 Ca -0.18 -2.04 0.15 0.00 0.00 0.00 0.00 46.02 43.95 1b4t n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b4t h PRO 109 N 0.00 0.00 -0.45 1.61 0.13 -2.00 -2.67 132.00 128.62 1b4t h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1b4t h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1b4t h PRO 109 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1b4t n THR 110 N -2.55 2.31 -1.64 1.56 -2.24 -1.26 -5.02 114.28 105.44 1b4t n THR 110 Ca -0.00 -1.54 -0.44 0.00 -2.27 0.00 0.00 64.05 59.80 1b4t n THR 110 Cb 0.15 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 1b4t n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1b4t n SER 111 N 0.24 2.10 -0.52 3.42 2.88 -1.01 -4.56 113.62 116.18 1b4t n SER 111 Ca 0.24 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 59.09 1b4t n SER 111 Cb 0.98 -1.37 0.43 0.00 -0.75 0.00 0.00 64.21 63.49 1b4t n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1b4t n VAL 112 N 0.82 0.00 -1.83 2.46 0.24 -0.60 -4.90 118.33 114.54 1b4t n VAL 112 Ca 0.09 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1b4t n VAL 112 Cb 0.32 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 1b4t n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1b4t s VAL 113 N -2.09 2.34 0.00 3.34 1.01 -1.26 -1.31 120.40 122.43 1b4t s VAL 113 Ca 0.34 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1b4t s VAL 113 Cb 0.21 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1b4t s VAL 113 CO 0.36 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1b4t n GLY 114 N 3.89 0.73 2.15 4.51 0.00 0.11 -5.01 105.19 111.57 1b4t n GLY 114 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1b4t n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4t n ARG 115 N -2.02 0.92 -4.50 1.61 1.74 -0.43 -2.19 116.66 111.78 1b4t n ARG 115 Ca 0.00 -1.84 -0.31 0.00 -0.77 0.00 0.00 57.85 54.93 1b4t n ARG 115 Cb 0.00 0.05 -0.12 0.00 -1.02 0.00 0.00 32.46 31.38 1b4t n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1b4t s SER 116 N -2.90 4.06 -0.14 0.55 0.01 -1.14 -0.57 113.70 113.57 1b4t s SER 116 Ca 0.25 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 57.07 1b4t s SER 116 Cb -0.02 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1b4t s SER 116 CO 0.16 0.24 0.03 -0.69 0.41 0.00 0.00 173.24 173.38 1b4t s VAL 117 N -1.02 4.52 -0.03 3.43 1.01 -0.48 -0.06 120.40 127.77 1b4t s VAL 117 Ca 0.17 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1b4t s VAL 117 Cb -0.11 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1b4t s VAL 117 CO 0.08 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.84 1b4t s VAL 118 N -0.12 1.42 -0.13 2.92 1.01 0.17 -1.99 120.40 123.69 1b4t s VAL 118 Ca 0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1b4t s VAL 118 Cb -0.12 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1b4t s VAL 118 CO 0.02 0.41 -0.05 -0.51 0.00 0.00 0.00 175.10 174.96 1b4t s ILE 119 N -0.16 3.78 0.38 2.22 1.10 -0.96 -0.86 121.20 126.70 1b4t s ILE 119 Ca 0.01 -0.41 0.01 0.00 -0.51 0.00 0.00 60.65 59.74 1b4t s ILE 119 Cb -0.10 -2.62 -0.02 0.00 0.15 0.00 0.00 42.46 39.87 1b4t s ILE 119 CO 0.01 0.53 0.58 -1.00 -2.11 0.00 0.00 174.94 172.95 1b4t s HIS 120 N -0.03 3.42 -0.42 3.50 3.76 0.11 -3.25 115.29 122.38 1b4t s HIS 120 Ca 0.01 0.31 0.23 0.00 -0.15 0.00 0.00 55.06 55.46 1b4t s HIS 120 Cb -0.13 -2.01 0.28 0.00 1.11 0.00 0.00 32.58 31.83 1b4t s HIS 120 CO 0.03 -0.01 1.44 0.00 -0.85 0.00 0.00 174.74 175.35 1b4t h ALA 121 N 0.65 0.82 -1.51 -1.40 0.00 -0.87 -3.40 119.26 113.56 1b4t h ALA 121 Ca -0.49 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.86 1b4t h ALA 121 Cb 1.23 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1b4t h ALA 121 CO 0.60 0.00 -0.53 0.20 0.00 0.00 0.00 179.25 179.52 1b4t s GLY 122 N -4.16 2.58 0.18 0.00 0.00 -0.04 -4.96 107.32 100.92 1b4t s GLY 122 Ca 0.05 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.22 1b4t s GLY 122 CO 0.70 -1.89 0.90 1.62 0.00 0.00 0.00 173.10 174.43 1b4t s GLN 123 N -3.77 4.73 -0.27 2.90 0.74 -1.22 -1.30 119.66 121.47 1b4t s GLN 123 Ca 0.23 1.38 -0.28 0.00 0.05 0.00 0.00 55.36 56.74 1b4t s GLN 123 Cb 0.04 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.85 1b4t s GLN 123 CO 0.13 0.45 1.02 0.34 -0.55 0.00 0.00 175.29 176.67 1b4t s ASP 124 N -0.83 6.97 0.00 6.67 -1.08 -1.26 -3.90 116.67 123.25 1b4t s ASP 124 Ca 0.41 1.16 0.20 0.00 -0.52 0.00 0.00 52.55 53.80 1b4t s ASP 124 Cb -0.24 -2.52 1.07 0.00 -1.46 0.00 0.00 42.92 39.76 1b4t s ASP 124 CO 0.30 -0.74 1.61 -0.90 0.52 0.00 0.00 175.17 175.95 1b4t n ASP 125 N 6.51 0.00 -1.33 -0.34 5.68 0.78 -4.87 116.55 122.97 1b4t n ASP 125 Ca 0.11 -0.22 -0.13 0.00 -0.50 0.00 0.00 54.79 54.05 1b4t n ASP 125 Cb 0.47 -0.19 -0.02 0.00 -1.14 0.00 0.00 41.12 40.24 1b4t n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1b4t n LEU 126 N -1.19 -1.37 0.00 -2.12 4.77 -1.26 -2.59 117.00 113.24 1b4t n LEU 126 Ca 0.11 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1b4t n LEU 126 Cb 0.13 -2.03 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1b4t n LEU 126 CO 0.14 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1b4t n GLY 127 N -1.14 0.93 0.34 -0.72 0.00 -1.25 -3.69 105.19 99.67 1b4t n GLY 127 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1b4t n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b4t n LYS 128 N -2.01 1.28 -1.71 1.61 5.02 -1.07 -4.64 118.16 116.64 1b4t n LYS 128 Ca 0.00 -0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 55.26 1b4t n LYS 128 Cb 0.00 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1b4t n LYS 128 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1b4t s GLY 129 N -2.19 2.45 -0.24 0.72 0.00 -1.26 -4.88 107.32 101.92 1b4t s GLY 129 Ca 0.34 0.86 -0.00 0.00 0.00 0.00 0.00 44.72 45.92 1b4t s GLY 129 CO 0.40 1.25 1.88 1.34 0.00 0.00 0.00 173.10 177.97 1b4t n ASP 130 N -2.24 5.63 -4.23 1.64 -0.08 -1.26 -4.79 116.55 111.21 1b4t n ASP 130 Ca 0.13 -2.87 -0.13 0.00 -1.51 0.00 0.00 54.79 50.41 1b4t n ASP 130 Cb 0.50 -0.98 -0.10 0.00 2.34 0.00 0.00 41.12 42.88 1b4t n ASP 130 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1b4t s THR 131 N -1.71 0.74 -0.66 5.18 -4.23 -1.26 -5.03 115.64 108.67 1b4t s THR 131 Ca 0.24 -1.98 0.25 0.00 -1.18 0.00 0.00 61.69 59.02 1b4t s THR 131 Cb 0.19 -2.02 0.22 0.00 1.34 0.00 0.00 72.50 72.23 1b4t s THR 131 CO 0.01 -0.57 1.61 1.05 -0.54 0.00 0.00 174.62 176.17 1b4t h GLU 132 N 2.75 0.00 -0.39 3.99 9.09 -2.00 -2.99 114.58 125.02 1b4t h GLU 132 Ca -0.36 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.94 1b4t h GLU 132 Cb 1.20 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.28 1b4t h GLU 132 CO 0.63 0.00 -0.18 1.49 0.05 0.00 0.00 179.01 181.01 1b4t h GLU 133 N 0.00 0.74 -0.64 1.06 4.57 -1.96 -2.26 114.58 116.10 1b4t h GLU 133 Ca 0.00 -0.27 0.11 0.00 -1.18 0.00 0.00 59.36 58.01 1b4t h GLU 133 Cb 0.78 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 1b4t h GLU 133 CO 0.00 0.87 0.43 1.03 -1.18 0.00 0.00 179.01 180.16 1b4t h SER 134 N 0.66 0.39 0.02 1.04 0.87 -1.83 -0.81 113.55 113.88 1b4t h SER 134 Ca 0.10 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1b4t h SER 134 Cb 0.66 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1b4t h SER 134 CO 0.05 0.23 -0.00 0.18 -0.53 0.00 0.00 176.83 176.76 1b4t n LEU 135 N -4.47 0.03 0.00 2.23 4.77 -0.85 -1.96 117.00 116.75 1b4t n LEU 135 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1b4t n LEU 135 Cb 0.39 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1b4t n LEU 135 CO 0.34 0.00 -0.47 2.29 -1.33 0.00 0.00 177.39 178.22 1b4t n LYS 136 N -0.99 0.00 -0.00 3.23 2.85 -0.46 -1.12 118.16 121.68 1b4t n LYS 136 Ca 0.24 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.50 1b4t n LYS 136 Cb 0.12 -0.74 -0.01 0.00 -0.65 0.00 0.00 35.03 33.76 1b4t n LYS 136 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1b4t n THR 137 N -2.68 0.00 -0.97 0.58 -2.24 -0.44 -4.69 114.28 103.84 1b4t n THR 137 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1b4t n THR 137 Cb 0.47 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1b4t n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b4t n GLY 138 N 1.06 0.46 3.38 3.38 0.00 -0.83 -3.44 105.19 109.21 1b4t n GLY 138 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1b4t n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4t n ASN 139 N -0.18 -6.18 -0.02 1.61 3.02 -1.26 -0.16 115.26 112.09 1b4t n ASN 139 Ca 0.00 -0.45 0.16 0.00 -0.03 0.00 0.00 54.58 54.26 1b4t n ASN 139 Cb 0.09 -4.92 0.90 0.00 -0.61 0.00 0.00 39.78 35.24 1b4t n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4t n ALA 140 N -4.39 2.66 -0.11 5.41 0.00 -1.22 -4.71 120.51 118.15 1b4t n ALA 140 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1b4t n ALA 140 Cb 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1b4t n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4t n GLY 141 N 1.06 -1.17 3.59 0.00 0.00 -1.26 -0.86 105.19 106.55 1b4t n GLY 141 Ca 0.22 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1b4t n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b4t n PRO 142 N 0.00 -1.06 -3.70 1.61 -0.02 -1.26 -4.66 135.00 125.90 1b4t n PRO 142 Ca 0.00 -0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 60.86 1b4t n PRO 142 Cb 0.00 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.11 1b4t n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1b4t s ARG 143 N -4.50 2.71 0.45 -0.52 0.52 -1.26 -0.49 118.95 115.86 1b4t s ARG 143 Ca 0.67 -2.69 0.17 0.00 -0.52 0.00 0.00 55.73 53.36 1b4t s ARG 143 Cb -0.23 -3.77 1.06 0.00 0.52 0.00 0.00 34.95 32.52 1b4t s ARG 143 CO 0.61 -1.20 1.98 -1.00 0.02 0.00 0.00 175.30 175.71 1b4t h PRO 144 N 6.80 0.00 -3.60 3.54 0.13 -1.86 -3.44 132.00 133.57 1b4t h PRO 144 Ca 0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 1b4t h PRO 144 Cb 0.92 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.88 1b4t h PRO 144 CO 0.73 0.20 -0.41 0.00 -0.23 0.00 0.00 178.00 178.29 1b4t s ALA 145 N -4.47 -0.31 0.12 -0.56 0.00 -1.25 -4.21 121.76 111.09 1b4t s ALA 145 Ca -0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1b4t s ALA 145 Cb 0.15 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.62 1b4t s ALA 145 CO 0.68 -0.36 0.77 0.00 0.00 0.00 0.00 175.76 176.85 1b4t s GLY 147 N -2.72 -0.50 0.15 0.00 0.00 -0.84 -1.34 107.32 102.06 1b4t s GLY 147 Ca 0.06 1.02 -0.27 0.00 0.00 0.00 0.00 44.72 45.53 1b4t s GLY 147 CO -0.06 0.69 0.83 0.14 0.00 0.00 0.00 173.10 174.70 1b4t s VAL 148 N -1.56 4.40 -0.45 1.40 1.01 -1.26 -1.38 120.40 122.57 1b4t s VAL 148 Ca -0.10 1.81 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1b4t s VAL 148 Cb -0.01 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.20 1b4t s VAL 148 CO 0.06 0.46 1.12 -0.63 0.00 0.00 0.00 175.10 176.11 1b4t s ILE 149 N -0.78 4.27 0.33 2.22 1.01 0.26 -4.34 121.20 124.17 1b4t s ILE 149 Ca 0.39 1.33 0.09 0.00 0.00 0.00 0.00 60.65 62.45 1b4t s ILE 149 Cb -0.23 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 37.62 1b4t s ILE 149 CO 0.27 -0.90 0.07 -0.83 0.00 0.00 0.00 174.94 173.54 1b4t s GLY 150 N 2.29 1.98 0.33 6.18 0.00 0.41 -0.72 107.32 117.80 1b4t s GLY 150 Ca 0.47 -1.87 -0.23 0.00 0.00 0.00 0.00 44.72 43.09 1b4t s GLY 150 CO 0.28 -1.82 0.90 1.08 0.00 0.00 0.00 173.10 173.54 1b4t s LEU 151 N -3.77 4.23 0.26 0.66 1.43 -1.26 -0.26 118.68 119.96 1b4t s LEU 151 Ca 0.36 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1b4t s LEU 151 Cb -0.02 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1b4t s LEU 151 CO 0.21 -0.13 0.26 0.28 0.23 0.00 0.00 176.35 177.19 1b4t s THR 152 N -1.76 0.00 -2.20 5.49 -1.32 -0.67 -4.83 115.64 110.36 1b4t s THR 152 Ca 0.52 -1.87 0.30 0.00 -1.21 0.00 0.00 61.69 59.44 1b4t s THR 152 Cb -0.15 -2.48 0.77 0.00 -1.51 0.00 0.00 72.50 69.13 1b4t s THR 152 CO 0.20 0.00 2.04 -0.46 -2.21 0.00 0.00 174.62 174.19