#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c50 s SER 2 N 0.00 -0.22 0.00 0.00 0.15 -1.26 -5.01 113.70 107.36 2c50 s SER 2 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2c50 s SER 2 Cb 0.00 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2c50 s SER 2 CO 0.00 -0.07 0.81 -0.46 1.20 0.00 0.00 173.24 174.72 2c50 n ASN 3 N 2.29 1.62 -3.84 5.45 6.94 -1.26 -4.72 115.26 121.74 2c50 n ASN 3 Ca -0.13 -1.60 -0.42 0.00 -0.02 0.00 0.00 54.58 52.40 2c50 n ASN 3 Cb 0.57 -0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.99 2c50 n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2c50 n PHE 4 N -0.28 2.58 -4.60 -2.53 7.35 -1.26 -4.94 117.46 113.79 2c50 n PHE 4 Ca 0.00 -2.67 -0.27 0.00 -0.76 0.00 0.00 57.45 53.75 2c50 n PHE 4 Cb 0.16 -1.56 -0.09 0.00 0.35 0.00 0.00 39.48 38.33 2c50 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2c50 s THR 5 N -1.67 1.18 0.42 -2.13 -4.23 -1.26 -4.83 115.64 103.12 2c50 s THR 5 Ca 0.38 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.66 2c50 s THR 5 Cb 0.10 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 2c50 s THR 5 CO 0.02 0.00 1.07 -1.58 -0.54 0.00 0.00 174.62 173.58 2c50 s GLN 6 N -3.80 4.04 0.15 3.99 0.74 -1.26 -4.53 119.66 118.98 2c50 s GLN 6 Ca 0.23 1.53 -0.20 0.00 0.05 0.00 0.00 55.36 56.97 2c50 s GLN 6 Cb 0.05 -2.44 0.05 0.00 1.10 0.00 0.00 33.01 31.77 2c50 s GLN 6 CO 0.12 -0.26 0.51 -0.59 -0.55 0.00 0.00 175.29 174.52 2c50 s PHE 7 N -1.70 -0.37 -0.33 1.67 -0.71 -0.35 -5.00 117.98 111.19 2c50 s PHE 7 Ca 0.60 0.10 -0.28 0.00 -1.04 0.00 0.00 56.93 56.31 2c50 s PHE 7 Cb -0.22 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 2c50 s PHE 7 CO 0.27 -0.80 1.02 0.08 -1.34 0.00 0.00 175.22 174.46 2c50 s VAL 8 N -3.78 4.54 -0.13 -2.49 1.01 -1.26 -1.25 120.40 117.04 2c50 s VAL 8 Ca 0.02 1.59 -0.19 0.00 0.00 0.00 0.00 61.98 63.40 2c50 s VAL 8 Cb 0.00 -4.38 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 2c50 s VAL 8 CO -0.12 -0.48 0.52 0.25 0.00 0.00 0.00 175.10 175.27 2c50 h LEU 9 N 10.05 0.23 -8.12 3.92 5.85 -1.23 -3.45 115.31 122.56 2c50 h LEU 9 Ca -0.21 -0.80 -0.67 0.00 0.84 0.00 0.00 57.88 57.04 2c50 h LEU 9 Cb 1.07 -0.08 -0.34 0.00 0.37 0.00 0.00 40.66 41.68 2c50 h LEU 9 CO 1.01 1.49 -0.83 -0.69 -0.34 0.00 0.00 178.44 179.08 2c50 s VAL 10 N -2.41 2.31 -0.37 1.05 1.01 -0.96 -4.99 120.40 116.05 2c50 s VAL 10 Ca -0.22 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 2c50 s VAL 10 Cb 0.03 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 2c50 s VAL 10 CO 0.71 0.51 0.29 -0.62 0.00 0.00 0.00 175.10 176.00 2c50 s ASP 11 N 1.33 6.10 -0.66 3.32 -1.08 -1.26 -0.46 116.67 123.95 2c50 s ASP 11 Ca 0.05 -0.57 0.05 0.00 -0.52 0.00 0.00 52.55 51.57 2c50 s ASP 11 Cb -0.13 -2.16 0.20 0.00 -1.46 0.00 0.00 42.92 39.37 2c50 s ASP 11 CO -0.11 -0.34 0.59 0.59 0.52 0.00 0.00 175.17 176.42 2c50 n ASN 12 N 5.19 3.12 0.00 -0.34 3.02 -1.26 -4.97 115.26 120.01 2c50 n ASN 12 Ca -0.11 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 2c50 n ASN 12 Cb 0.49 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2c50 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c50 n GLY 13 N 1.54 3.74 0.02 7.41 0.00 -1.26 -2.71 105.19 113.93 2c50 n GLY 13 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 2c50 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c50 n GLY 14 N 0.00 -0.22 3.39 -0.02 0.00 -1.26 -4.90 105.19 102.18 2c50 n GLY 14 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2c50 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c50 s THR 15 N -2.14 3.06 0.00 2.61 -4.23 -1.10 -4.32 115.64 109.53 2c50 s THR 15 Ca -0.02 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2c50 s THR 15 Cb 0.02 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2c50 s THR 15 CO 0.18 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 2c50 n GLY 16 N 3.34 0.64 3.76 3.99 0.00 -1.26 -4.70 105.19 110.96 2c50 n GLY 16 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2c50 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c50 s ASP 17 N -1.94 6.47 -0.34 1.61 1.11 -1.26 -4.52 116.67 117.80 2c50 s ASP 17 Ca 0.00 2.90 -0.10 0.00 0.18 0.00 0.00 52.55 55.53 2c50 s ASP 17 Cb 0.00 -2.65 0.01 0.00 1.07 0.00 0.00 42.92 41.35 2c50 s ASP 17 CO 0.00 -0.81 0.18 -0.69 1.18 0.00 0.00 175.17 175.02 2c50 s VAL 18 N -0.52 4.61 -0.08 -1.27 1.01 0.39 -4.96 120.40 119.56 2c50 s VAL 18 Ca 0.57 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2c50 s VAL 18 Cb -0.45 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2c50 s VAL 18 CO 0.53 -0.06 0.07 -0.89 0.00 0.00 0.00 175.10 174.75 2c50 s THR 19 N 1.59 4.82 -0.05 3.92 2.01 -1.26 -0.64 115.64 126.03 2c50 s THR 19 Ca 0.04 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 61.97 2c50 s THR 19 Cb -0.18 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 2c50 s THR 19 CO 0.06 0.56 -0.20 0.54 -0.69 0.00 0.00 174.62 174.90 2c50 s VAL 20 N -1.00 2.56 0.10 3.82 0.11 -0.38 -4.24 120.40 121.38 2c50 s VAL 20 Ca 0.16 -0.90 0.08 0.00 -2.93 0.00 0.00 61.98 58.39 2c50 s VAL 20 Cb -0.12 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2c50 s VAL 20 CO 0.05 0.58 -0.20 0.00 -3.33 0.00 0.00 175.10 172.20 2c50 s ALA 21 N -0.46 1.74 0.42 1.54 0.00 0.31 -1.21 121.76 124.08 2c50 s ALA 21 Ca 0.05 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 50.55 2c50 s ALA 21 Cb -0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 23.12 22.67 2c50 s ALA 21 CO 0.01 0.33 0.90 -2.30 0.00 0.00 0.00 175.76 174.70 2c50 n PRO 22 N 1.08 1.13 0.00 0.00 -0.02 -1.26 -0.68 135.00 135.25 2c50 n PRO 22 Ca -0.19 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2c50 n PRO 22 Cb 0.54 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2c50 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c50 n SER 23 N 0.69 0.03 -3.61 2.55 3.41 0.08 -4.75 113.62 112.01 2c50 n SER 23 Ca 0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.60 2c50 n SER 23 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 2c50 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2c50 s ASN 24 N -1.11 -0.52 -0.40 4.04 3.04 -1.12 -5.02 114.94 113.86 2c50 s ASN 24 Ca 0.00 0.89 0.11 0.00 0.04 0.00 0.00 52.86 53.89 2c50 s ASN 24 Cb 0.00 0.86 0.33 0.00 -1.54 0.00 0.00 41.25 40.91 2c50 s ASN 24 CO 0.00 -0.25 0.72 0.33 -3.04 0.00 0.00 177.10 174.86 2c50 n PHE 25 N 1.91 0.59 -3.78 0.43 -0.00 -1.26 -0.16 117.46 115.20 2c50 n PHE 25 Ca -0.13 -3.81 -0.36 0.00 -0.00 0.00 0.00 57.45 53.16 2c50 n PHE 25 Cb 0.56 -0.42 -0.07 0.00 -0.00 0.00 0.00 39.48 39.55 2c50 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c50 s ALA 26 N -2.36 3.75 -1.27 3.13 0.00 -1.17 -4.50 121.76 119.33 2c50 s ALA 26 Ca 0.40 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 2c50 s ALA 26 Cb 0.31 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2c50 s ALA 26 CO -0.09 0.30 0.97 0.09 0.00 0.00 0.00 175.76 177.04 2c50 n ASN 27 N 3.04 -2.85 -0.62 0.00 4.13 -1.26 -2.55 115.26 115.16 2c50 n ASN 27 Ca -0.17 -0.66 -0.08 0.00 1.68 0.00 0.00 54.58 55.35 2c50 n ASN 27 Cb 0.53 -4.81 -0.03 0.00 -1.54 0.00 0.00 39.78 33.93 2c50 n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c50 n GLY 28 N -1.43 0.90 3.09 7.41 0.00 -1.26 -4.98 105.19 108.93 2c50 n GLY 28 Ca -0.21 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2c50 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c50 s VAL 29 N -2.00 2.33 0.28 1.61 1.01 -1.06 -4.45 120.40 118.13 2c50 s VAL 29 Ca 0.00 -1.56 -0.27 0.00 0.00 0.00 0.00 61.98 60.15 2c50 s VAL 29 Cb 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.93 2c50 s VAL 29 CO 0.00 -0.02 0.92 0.00 0.00 0.00 0.00 175.10 176.00 2c50 s ALA 30 N 1.14 3.28 -0.02 5.51 0.00 -0.04 -3.06 121.76 128.56 2c50 s ALA 30 Ca -0.08 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2c50 s ALA 30 Cb -0.20 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2c50 s ALA 30 CO -0.05 0.20 0.02 -2.00 0.00 0.00 0.00 175.76 173.94 2c50 s GLU 31 N -1.70 0.04 0.05 0.00 2.12 0.77 -1.28 118.70 118.70 2c50 s GLU 31 Ca 0.46 0.15 0.06 0.00 0.36 0.00 0.00 54.97 56.00 2c50 s GLU 31 Cb -0.21 -0.29 -0.03 0.00 0.26 0.00 0.00 34.13 33.85 2c50 s GLU 31 CO 0.27 -0.15 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.13 2c50 s TRP 32 N 0.99 2.69 0.02 5.30 0.51 0.42 -0.74 118.94 128.12 2c50 s TRP 32 Ca -0.09 -0.17 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 2c50 s TRP 32 Cb -0.12 -1.49 -0.02 0.00 -0.81 0.00 0.00 33.47 31.03 2c50 s TRP 32 CO -0.02 0.33 -0.03 0.42 -0.51 0.00 0.00 176.95 177.14 2c50 s ILE 33 N -1.02 0.13 0.50 2.03 -1.09 0.15 -2.18 121.20 119.71 2c50 s ILE 33 Ca 0.17 -0.70 -0.07 0.00 -2.23 0.00 0.00 60.65 57.82 2c50 s ILE 33 Cb -0.11 -0.23 -0.04 0.00 -1.58 0.00 0.00 42.46 40.50 2c50 s ILE 33 CO 0.08 -0.36 0.84 -0.94 -1.23 0.00 0.00 174.94 173.33 2c50 s SER 34 N -1.10 6.30 1.12 3.58 1.04 -0.96 -0.53 113.70 123.14 2c50 s SER 34 Ca -0.11 1.08 -0.14 0.00 0.48 0.00 0.00 55.95 57.25 2c50 s SER 34 Cb -0.08 -2.31 0.25 0.00 0.10 0.00 0.00 66.02 63.98 2c50 s SER 34 CO -0.01 -0.62 1.06 -0.55 0.98 0.00 0.00 173.24 174.11 2c50 s SER 35 N -3.97 1.53 0.13 7.02 0.15 -1.26 -4.71 113.70 112.59 2c50 s SER 35 Ca 0.50 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.33 2c50 s SER 35 Cb -0.10 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2c50 s SER 35 CO 0.45 -3.81 0.00 0.59 1.20 0.00 0.00 173.24 171.67 2c50 n ASN 36 N -4.62 -3.24 -1.10 5.45 3.02 -1.26 -4.84 115.26 108.67 2c50 n ASN 36 Ca 0.05 0.58 -0.15 0.00 -0.03 0.00 0.00 54.58 55.03 2c50 n ASN 36 Cb 0.57 -1.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.08 2c50 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2c50 n SER 37 N -2.21 0.22 0.11 6.41 7.64 -1.26 -4.78 113.62 119.75 2c50 n SER 37 Ca 0.00 0.28 0.04 0.00 1.01 0.00 0.00 58.87 60.21 2c50 n SER 37 Cb 0.25 -0.21 0.47 0.00 -1.01 0.00 0.00 64.21 63.71 2c50 n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2c50 h ARG 38 N 1.06 0.29 0.00 1.43 9.65 -1.90 -2.35 114.38 122.57 2c50 h ARG 38 Ca -0.11 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 2c50 h ARG 38 Cb 0.32 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2c50 h ARG 38 CO 0.21 0.27 -0.11 0.66 2.80 0.00 0.00 179.97 183.80 2c50 h SER 39 N 0.30 0.00 -0.17 -3.80 4.64 -1.86 -2.41 113.55 110.24 2c50 h SER 39 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2c50 h SER 39 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2c50 h SER 39 CO -0.00 0.11 -0.02 0.00 -0.87 0.00 0.00 176.83 176.04 2c50 n GLN 40 N -4.13 2.23 -3.31 4.77 6.02 -0.91 -3.85 117.38 118.19 2c50 n GLN 40 Ca -0.02 -2.81 -0.31 0.00 -0.01 0.00 0.00 57.00 53.85 2c50 n GLN 40 Cb 0.19 -1.72 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 2c50 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c50 s ALA 41 N -2.90 3.52 0.26 -1.58 0.00 -0.91 -4.87 121.76 115.27 2c50 s ALA 41 Ca 0.39 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 2c50 s ALA 41 Cb 0.33 -2.48 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 2c50 s ALA 41 CO 0.06 0.39 0.81 0.71 0.00 0.00 0.00 175.76 177.72 2c50 s TYR 42 N -1.94 3.68 0.01 0.00 1.51 -1.26 -4.66 117.35 114.68 2c50 s TYR 42 Ca 0.48 1.55 0.03 0.00 -1.01 0.00 0.00 57.07 58.12 2c50 s TYR 42 Cb -0.11 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 38.99 2c50 s TYR 42 CO 0.23 0.30 -0.10 0.21 -1.11 0.00 0.00 175.55 175.08 2c50 s LYS 43 N -1.95 0.76 -0.02 -0.62 2.20 -1.14 -2.26 119.74 116.72 2c50 s LYS 43 Ca 0.45 -0.44 -0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2c50 s LYS 43 Cb -0.18 -0.73 0.03 0.00 -1.51 0.00 0.00 37.83 35.44 2c50 s LYS 43 CO 0.22 0.19 0.04 0.08 -0.36 0.00 0.00 175.35 175.53 2c50 s VAL 44 N -0.43 -0.05 0.08 4.02 1.01 -0.93 -0.93 120.40 123.18 2c50 s VAL 44 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2c50 s VAL 44 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 2c50 s VAL 44 CO -0.00 0.07 -0.11 0.42 0.00 0.00 0.00 175.10 175.48 2c50 s THR 45 N 0.88 0.93 -0.02 3.92 -4.23 -0.66 -0.44 115.64 116.03 2c50 s THR 45 Ca -0.07 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 58.87 2c50 s THR 45 Cb -0.10 -1.14 0.02 0.00 1.34 0.00 0.00 72.50 72.62 2c50 s THR 45 CO -0.03 -0.42 0.28 0.00 -0.54 0.00 0.00 174.62 173.91 2c50 s SER 47 N -1.22 -0.55 0.10 0.00 1.04 -1.04 -0.86 113.70 111.17 2c50 s SER 47 Ca -0.13 0.62 0.08 0.00 0.48 0.00 0.00 55.95 57.00 2c50 s SER 47 Cb -0.05 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2c50 s SER 47 CO 0.04 -0.49 -0.19 -0.69 0.98 0.00 0.00 173.24 172.88 2c50 s VAL 48 N -1.09 1.60 0.08 5.02 1.01 -1.26 -1.22 120.40 124.54 2c50 s VAL 48 Ca -0.07 -1.52 -0.24 0.00 0.00 0.00 0.00 61.98 60.14 2c50 s VAL 48 Cb -0.00 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.96 2c50 s VAL 48 CO 0.06 -0.11 0.59 0.00 0.00 0.00 0.00 175.10 175.64 2c50 s ARG 49 N -1.93 1.15 -0.94 2.72 1.70 -0.92 -4.96 118.95 115.77 2c50 s ARG 49 Ca 0.05 -0.24 -0.23 0.00 -0.47 0.00 0.00 55.73 54.84 2c50 s ARG 49 Cb -0.10 0.53 0.06 0.00 -0.57 0.00 0.00 34.95 34.87 2c50 s ARG 49 CO 0.04 -0.45 1.35 -1.14 -1.08 0.00 0.00 175.30 174.02 2c50 s GLN 50 N -2.79 3.49 0.58 3.89 2.00 -1.26 -0.43 119.66 125.14 2c50 s GLN 50 Ca -0.03 -1.02 0.36 0.00 -2.00 0.00 0.00 55.36 52.67 2c50 s GLN 50 Cb -0.01 -5.02 1.68 0.00 0.80 0.00 0.00 33.01 30.46 2c50 s GLN 50 CO -0.04 -2.12 2.10 0.66 -0.50 0.00 0.00 175.29 175.38 2c50 h SER 51 N 9.71 0.00 -1.76 6.67 4.64 -1.36 -3.46 113.55 127.99 2c50 h SER 51 Ca 0.08 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.47 2c50 h SER 51 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2c50 h SER 51 CO 1.35 0.02 0.31 -1.54 -0.87 0.00 0.00 176.83 176.09 2c50 n SER 52 N -3.14 -1.04 -0.27 4.97 3.41 -1.02 -4.95 113.62 111.59 2c50 n SER 52 Ca -0.01 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 2c50 n SER 52 Cb 0.24 1.70 0.13 0.00 -0.26 0.00 0.00 64.21 66.01 2c50 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c50 h ALA 53 N 2.00 1.05 -0.01 7.33 0.00 -2.03 -3.12 119.26 124.48 2c50 h ALA 53 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2c50 h ALA 53 Cb 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2c50 h ALA 53 CO 0.21 0.11 -0.48 1.04 0.00 0.00 0.00 179.25 180.13 2c50 n GLN 54 N -4.74 1.67 -4.83 0.00 6.02 -1.26 -4.92 117.38 109.31 2c50 n GLN 54 Ca 0.11 -0.57 -0.28 0.00 -0.01 0.00 0.00 57.00 56.25 2c50 n GLN 54 Cb 0.21 -1.28 -0.15 0.00 1.02 0.00 0.00 30.24 30.04 2c50 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2c50 s ASN 55 N -2.13 2.82 0.08 1.08 0.01 -1.18 -0.14 114.94 115.47 2c50 s ASN 55 Ca 0.11 -0.54 0.06 0.00 -0.71 0.00 0.00 52.86 51.79 2c50 s ASN 55 Cb 0.13 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 2c50 s ASN 55 CO 0.50 0.22 -0.09 -0.13 -1.51 0.00 0.00 177.10 176.08 2c50 s ARG 56 N -1.12 2.23 -0.03 -0.60 0.52 -0.92 -0.95 118.95 118.09 2c50 s ARG 56 Ca 0.10 -0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 54.35 2c50 s ARG 56 Cb -0.09 -2.35 0.03 0.00 0.52 0.00 0.00 34.95 33.06 2c50 s ARG 56 CO 0.02 0.53 0.05 0.21 0.02 0.00 0.00 175.30 176.12 2c50 s LYS 57 N -1.98 -0.05 0.05 3.54 2.20 0.43 -1.42 119.74 122.50 2c50 s LYS 57 Ca 0.20 0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.98 2c50 s LYS 57 Cb -0.11 -0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 35.80 2c50 s LYS 57 CO 0.12 -0.24 0.39 0.71 -0.36 0.00 0.00 175.35 175.98 2c50 s TYR 58 N 1.54 3.63 -0.22 4.03 1.51 -0.06 -2.16 117.35 125.61 2c50 s TYR 58 Ca -0.03 0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 56.86 2c50 s TYR 58 Cb -0.13 -2.19 0.06 0.00 -0.11 0.00 0.00 41.96 39.60 2c50 s TYR 58 CO -0.03 0.56 0.01 0.99 -1.11 0.00 0.00 175.55 175.97 2c50 s THR 59 N -1.29 0.98 0.03 -0.71 2.01 -0.36 -1.39 115.64 114.91 2c50 s THR 59 Ca 0.30 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.41 2c50 s THR 59 Cb -0.15 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 2c50 s THR 59 CO 0.16 -0.22 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.14 2c50 s ILE 60 N 1.64 3.36 -0.02 1.82 1.01 -0.14 -2.51 121.20 126.36 2c50 s ILE 60 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 2c50 s ILE 60 Cb -0.18 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2c50 s ILE 60 CO -0.09 0.34 0.07 -0.54 0.00 0.00 0.00 174.94 174.72 2c50 s LYS 61 N -1.53 0.13 0.04 2.79 1.02 -0.61 -1.14 119.74 120.45 2c50 s LYS 61 Ca 0.17 0.00 0.04 0.00 0.02 0.00 0.00 55.97 56.20 2c50 s LYS 61 Cb -0.11 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 2c50 s LYS 61 CO 0.08 -0.02 -0.11 0.08 -0.92 0.00 0.00 175.35 174.45 2c50 s VAL 62 N -0.19 0.88 -0.12 3.17 1.01 -0.92 -1.65 120.40 122.58 2c50 s VAL 62 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 2c50 s VAL 62 Cb -0.02 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.56 2c50 s VAL 62 CO 0.00 -0.10 -0.07 -1.61 0.00 0.00 0.00 175.10 173.33 2c50 s GLU 63 N -1.17 1.45 -0.27 2.72 2.02 -0.10 -0.87 118.70 122.48 2c50 s GLU 63 Ca -0.02 -0.26 -0.07 0.00 0.02 0.00 0.00 54.97 54.64 2c50 s GLU 63 Cb -0.08 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.53 2c50 s GLU 63 CO 0.01 -0.29 0.07 0.08 0.02 0.00 0.00 175.26 175.14 2c50 s VAL 64 N 1.72 4.11 0.24 2.63 1.01 -0.42 -2.88 120.40 126.81 2c50 s VAL 64 Ca 0.04 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 2c50 s VAL 64 Cb -0.13 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 2c50 s VAL 64 CO -0.08 0.24 0.51 -2.16 0.00 0.00 0.00 175.10 173.61 2c50 s PRO 65 N 1.56 3.68 -0.66 2.72 0.04 -1.26 -0.00 135.00 141.08 2c50 s PRO 65 Ca 0.05 0.06 -0.10 0.00 0.04 0.00 0.00 61.00 61.04 2c50 s PRO 65 Cb -0.16 -2.70 0.17 0.00 0.04 0.00 0.00 34.50 31.86 2c50 s PRO 65 CO 0.03 0.31 0.55 0.21 0.04 0.00 0.00 177.00 178.14 2c50 s LYS 66 N -3.13 3.00 0.22 4.56 2.47 -0.48 -4.98 119.74 121.40 2c50 s LYS 66 Ca 0.44 -2.23 -0.32 0.00 -1.56 0.00 0.00 55.97 52.30 2c50 s LYS 66 Cb -0.11 -4.12 -0.14 0.00 -1.46 0.00 0.00 37.83 32.00 2c50 s LYS 66 CO 0.26 -1.24 1.46 0.28 0.16 0.00 0.00 175.35 176.27 2c50 n VAL 67 N 4.22 0.66 -3.62 4.02 0.31 -1.26 -0.94 118.33 121.72 2c50 n VAL 67 Ca 0.04 -0.16 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 2c50 n VAL 67 Cb 0.42 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 2c50 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c50 s ALA 68 N 0.23 -1.68 -0.21 3.52 0.00 -0.84 -4.78 121.76 118.01 2c50 s ALA 68 Ca 0.71 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 2c50 s ALA 68 Cb -0.66 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2c50 s ALA 68 CO 0.46 -0.86 -0.02 0.99 0.00 0.00 0.00 175.76 176.33 2c50 s THR 69 N -3.33 3.68 -0.11 0.00 2.01 -1.26 -1.46 115.64 115.17 2c50 s THR 69 Ca 0.08 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 2c50 s THR 69 Cb -0.02 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2c50 s THR 69 CO -0.04 0.42 0.40 -1.58 -0.69 0.00 0.00 174.62 173.13 2c50 s GLN 70 N 1.24 4.21 -0.12 4.92 0.74 -0.51 -4.94 119.66 125.19 2c50 s GLN 70 Ca 0.03 0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.78 2c50 s GLN 70 Cb -0.14 -3.38 0.01 0.00 1.10 0.00 0.00 33.01 30.60 2c50 s GLN 70 CO 0.00 0.31 -0.19 0.99 -0.55 0.00 0.00 175.29 175.86 2c50 s THR 71 N 0.18 1.78 -0.07 -0.34 2.01 -1.26 -1.07 115.64 116.86 2c50 s THR 71 Ca 0.22 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2c50 s THR 71 Cb -0.15 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.81 2c50 s THR 71 CO 0.09 0.50 0.15 -0.69 -0.69 0.00 0.00 174.62 173.97 2c50 s VAL 72 N 0.91 -0.09 -0.98 3.82 1.01 0.06 -4.79 120.40 120.36 2c50 s VAL 72 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2c50 s VAL 72 Cb -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2c50 s VAL 72 CO -0.02 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2c50 n GLY 73 N 4.41 0.96 2.00 4.51 0.00 -1.26 -0.31 105.19 115.50 2c50 n GLY 73 Ca -0.23 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2c50 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c50 n GLY 74 N -0.37 0.85 3.69 -0.02 0.00 -1.26 -5.02 105.19 103.05 2c50 n GLY 74 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2c50 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c50 s VAL 75 N -3.33 5.30 -0.09 1.61 1.01 0.58 -5.08 120.40 120.41 2c50 s VAL 75 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2c50 s VAL 75 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2c50 s VAL 75 CO 0.00 0.34 -0.17 -1.83 0.00 0.00 0.00 175.10 173.43 2c50 s GLU 76 N 0.93 2.92 0.09 2.72 -1.05 -1.26 -0.76 118.70 122.29 2c50 s GLU 76 Ca 0.13 -0.76 0.10 0.00 -0.15 0.00 0.00 54.97 54.30 2c50 s GLU 76 Cb -0.13 -2.42 -0.03 0.00 -0.44 0.00 0.00 34.13 31.10 2c50 s GLU 76 CO 0.05 0.37 -0.26 -0.51 0.95 0.00 0.00 175.26 175.86 2c50 s LEU 77 N -0.08 2.26 -0.32 1.83 1.43 -0.23 -4.96 118.68 118.61 2c50 s LEU 77 Ca -0.04 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.10 2c50 s LEU 77 Cb -0.14 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.91 2c50 s LEU 77 CO 0.04 0.19 1.11 -2.84 0.23 0.00 0.00 176.35 175.08 2c50 s PRO 78 N -1.71 4.04 0.16 1.29 0.02 -1.26 -1.43 135.00 136.11 2c50 s PRO 78 Ca 0.12 1.10 0.02 0.00 0.02 0.00 0.00 61.00 62.26 2c50 s PRO 78 Cb -0.10 -3.76 -0.01 0.00 0.02 0.00 0.00 34.50 30.65 2c50 s PRO 78 CO 0.04 -0.94 0.08 1.33 -0.33 0.00 0.00 177.00 177.18 2c50 n VAL 79 N 5.92 0.00 -4.09 3.83 0.24 -0.53 -4.61 118.33 119.09 2c50 n VAL 79 Ca 0.12 -0.98 -0.33 0.00 -2.04 0.00 0.00 64.34 61.12 2c50 n VAL 79 Cb 0.47 0.40 -0.16 0.00 -1.47 0.00 0.00 33.84 33.08 2c50 n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c50 s ALA 80 N -2.48 2.44 0.31 2.33 0.00 -1.25 -1.98 121.76 121.12 2c50 s ALA 80 Ca 0.11 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.70 2c50 s ALA 80 Cb 0.01 -1.36 0.68 0.00 0.00 0.00 0.00 23.12 22.45 2c50 s ALA 80 CO 0.08 -0.66 1.82 0.00 0.00 0.00 0.00 175.76 176.99 2c50 h ALA 81 N 7.89 1.65 -2.33 0.00 0.00 -1.34 -3.45 119.26 121.68 2c50 h ALA 81 Ca -0.36 0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.77 2c50 h ALA 81 Cb 1.10 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 2c50 h ALA 81 CO 0.58 0.05 0.51 1.67 0.00 0.00 0.00 179.25 182.05 2c50 s TRP 82 N -5.86 -0.10 0.06 0.00 1.48 -1.26 -5.02 118.94 108.24 2c50 s TRP 82 Ca -0.11 -0.22 0.04 0.00 -1.06 0.00 0.00 56.10 54.75 2c50 s TRP 82 Cb 0.23 0.65 -0.03 0.00 -1.16 0.00 0.00 33.47 33.16 2c50 s TRP 82 CO 0.80 -0.83 -0.11 1.03 -4.06 0.00 0.00 176.95 173.78 2c50 s ARG 83 N -3.11 0.71 -0.12 3.25 0.52 -1.26 -1.39 118.95 117.55 2c50 s ARG 83 Ca 0.13 -0.89 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 2c50 s ARG 83 Cb -0.01 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.83 2c50 s ARG 83 CO 0.03 0.12 0.04 0.45 0.02 0.00 0.00 175.30 175.96 2c50 s SER 84 N -1.73 5.51 -0.21 0.23 0.15 1.00 -4.94 113.70 113.71 2c50 s SER 84 Ca -0.05 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.79 2c50 s SER 84 Cb -0.10 -1.71 0.03 0.00 -1.71 0.00 0.00 66.02 62.53 2c50 s SER 84 CO 0.01 0.33 -0.16 -0.31 1.20 0.00 0.00 173.24 174.31 2c50 s TYR 85 N -0.55 2.93 0.09 3.44 1.51 -1.26 -1.30 117.35 122.20 2c50 s TYR 85 Ca 0.10 -1.74 -0.09 0.00 -1.01 0.00 0.00 57.07 54.33 2c50 s TYR 85 Cb -0.12 -1.95 -0.06 0.00 -0.11 0.00 0.00 41.96 39.73 2c50 s TYR 85 CO 0.02 -0.80 0.39 -1.17 -1.11 0.00 0.00 175.55 172.88 2c50 s LEU 86 N 1.26 4.33 -0.30 -1.29 2.96 -0.05 -4.97 118.68 120.63 2c50 s LEU 86 Ca 0.01 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.69 2c50 s LEU 86 Cb -0.15 -3.02 0.17 0.00 0.50 0.00 0.00 46.19 43.68 2c50 s LEU 86 CO -0.10 0.15 0.43 0.21 -1.32 0.00 0.00 176.35 175.73 2c50 s ASN 87 N -1.88 0.16 0.15 3.68 3.04 -1.26 -2.17 114.94 116.65 2c50 s ASN 87 Ca 0.34 -0.38 0.10 0.00 0.04 0.00 0.00 52.86 52.97 2c50 s ASN 87 Cb -0.13 1.20 -0.04 0.00 -1.54 0.00 0.00 41.25 40.74 2c50 s ASN 87 CO 0.19 -0.34 -0.22 0.00 -3.04 0.00 0.00 177.10 173.69 2c50 s MET 88 N 2.52 1.60 -0.07 0.43 0.23 -0.29 -5.01 119.30 118.71 2c50 s MET 88 Ca 0.10 -1.34 -0.00 0.00 -1.03 0.00 0.00 55.69 53.42 2c50 s MET 88 Cb -0.12 -1.97 0.02 0.00 -1.53 0.00 0.00 34.83 31.23 2c50 s MET 88 CO -0.28 0.44 -0.05 -1.21 -2.03 0.00 0.00 175.02 171.89 2c50 s GLU 89 N -2.31 1.04 -0.19 3.16 2.02 -1.26 -0.96 118.70 120.20 2c50 s GLU 89 Ca 0.18 -0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.05 2c50 s GLU 89 Cb -0.09 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 32.99 2c50 s GLU 89 CO 0.09 -0.19 -0.14 -1.17 0.02 0.00 0.00 175.26 173.86 2c50 s LEU 90 N 1.46 2.43 -0.18 1.80 2.96 -0.49 -4.96 118.68 121.70 2c50 s LEU 90 Ca -0.02 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 2c50 s LEU 90 Cb -0.13 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2c50 s LEU 90 CO -0.04 0.01 0.05 -0.89 -1.32 0.00 0.00 176.35 174.16 2c50 s THR 91 N 1.26 4.63 -0.10 3.68 2.01 -1.26 -0.88 115.64 124.99 2c50 s THR 91 Ca 0.03 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 2c50 s THR 91 Cb -0.14 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.32 2c50 s THR 91 CO -0.08 0.45 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.66 2c50 s ILE 92 N 0.49 0.58 0.56 1.82 1.01 -0.51 -4.99 121.20 120.16 2c50 s ILE 92 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 2c50 s ILE 92 Cb -0.13 -0.74 -0.06 0.00 0.01 0.00 0.00 42.46 41.54 2c50 s ILE 92 CO 0.01 0.23 1.04 -2.65 0.00 0.00 0.00 174.94 173.57 2c50 n PRO 93 N 5.08 1.11 0.10 2.79 -0.02 -1.26 -2.17 135.00 140.63 2c50 n PRO 93 Ca -0.09 0.42 0.10 0.00 -2.02 0.00 0.00 63.50 61.91 2c50 n PRO 93 Cb 0.50 -2.22 0.42 0.00 -0.02 0.00 0.00 33.50 32.18 2c50 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2c50 n ILE 94 N -1.41 1.02 1.23 4.25 -5.35 0.80 -2.26 119.36 117.63 2c50 n ILE 94 Ca 0.12 0.35 0.13 0.00 -0.27 0.00 0.00 62.75 63.09 2c50 n ILE 94 Cb 0.46 -1.27 0.66 0.00 -1.74 0.00 0.00 39.64 37.75 2c50 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c50 n PHE 95 N -2.01 0.00 -2.39 4.28 3.72 -1.26 -4.81 117.46 114.98 2c50 n PHE 95 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2c50 n PHE 95 Cb 0.16 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 2c50 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2c50 s ALA 96 N -2.63 3.41 0.76 4.37 0.00 -0.96 -5.03 121.76 121.69 2c50 s ALA 96 Ca 0.24 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 2c50 s ALA 96 Cb 0.18 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.97 2c50 s ALA 96 CO 0.42 -0.45 1.05 0.95 0.00 0.00 0.00 175.76 177.73 2c50 s THR 97 N 1.05 2.16 0.42 0.00 -4.23 -1.26 -4.90 115.64 108.89 2c50 s THR 97 Ca 0.59 -0.42 0.11 0.00 -1.18 0.00 0.00 61.69 60.79 2c50 s THR 97 Cb -0.30 -2.74 0.20 0.00 1.34 0.00 0.00 72.50 71.00 2c50 s THR 97 CO 0.29 0.00 2.00 0.78 -0.54 0.00 0.00 174.62 177.15 2c50 h ASN 98 N -0.74 0.19 -0.42 3.99 4.21 -1.99 -1.95 115.58 118.86 2c50 h ASN 98 Ca -0.40 -0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.01 2c50 h ASN 98 Cb 1.27 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 2c50 h ASN 98 CO 0.43 0.27 -0.01 0.28 -1.29 0.00 0.00 177.43 177.12 2c50 h SER 99 N 0.21 0.80 0.02 5.81 0.02 -1.99 -1.54 113.55 116.87 2c50 h SER 99 Ca 0.05 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 2c50 h SER 99 Cb 0.22 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2c50 h SER 99 CO 0.01 0.87 -0.42 0.44 -1.14 0.00 0.00 176.83 176.59 2c50 h ASP 100 N 0.77 0.53 0.12 3.07 3.32 -1.73 -2.66 116.42 119.83 2c50 h ASP 100 Ca 0.15 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 2c50 h ASP 100 Cb 0.48 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2c50 h ASP 100 CO 0.02 0.89 -0.41 0.00 -1.72 0.00 0.00 179.24 178.02 2c50 h GLU 102 N 0.32 0.00 -0.09 0.00 5.08 -1.04 -1.12 114.58 117.72 2c50 h GLU 102 Ca 0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 2c50 h GLU 102 Cb 0.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 2c50 h GLU 102 CO 0.07 0.33 -0.45 1.25 -1.00 0.00 0.00 179.01 179.21 2c50 h LEU 103 N 0.00 0.55 -1.10 1.33 5.85 -1.10 -2.09 115.31 118.75 2c50 h LEU 103 Ca -0.00 -0.65 0.05 0.00 0.84 0.00 0.00 57.88 58.12 2c50 h LEU 103 Cb 0.59 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 2c50 h LEU 103 CO 0.04 1.11 0.61 0.40 -0.34 0.00 0.00 178.44 180.26 2c50 h ILE 104 N 0.03 1.11 -0.34 4.05 2.04 -0.86 0.84 117.51 124.39 2c50 h ILE 104 Ca -0.03 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.30 2c50 h ILE 104 Cb 1.10 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2c50 h ILE 104 CO 0.09 0.20 -0.34 0.58 0.00 0.00 0.00 178.15 178.68 2c50 h VAL 105 N 1.12 1.28 -0.45 1.67 2.07 -1.19 -2.34 116.25 118.41 2c50 h VAL 105 Ca 0.39 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 2c50 h VAL 105 Cb 0.12 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2c50 h VAL 105 CO -0.14 0.50 0.09 0.11 0.02 0.00 0.00 177.57 178.15 2c50 h LYS 106 N 0.62 0.67 -0.86 1.57 1.57 -0.62 -1.20 116.57 118.33 2c50 h LYS 106 Ca 0.05 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2c50 h LYS 106 Cb 0.93 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 2c50 h LYS 106 CO 0.09 0.63 0.45 0.00 -0.57 0.00 0.00 179.45 180.04 2c50 h ALA 107 N 1.45 1.10 -0.38 3.86 0.00 -0.62 0.15 119.26 124.82 2c50 h ALA 107 Ca 0.15 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2c50 h ALA 107 Cb 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2c50 h ALA 107 CO -0.00 0.63 -0.40 0.52 0.00 0.00 0.00 179.25 180.00 2c50 h MET 108 N 1.21 0.94 -0.04 0.00 2.86 -0.83 -1.92 114.93 117.15 2c50 h MET 108 Ca 0.30 -0.51 -0.10 0.00 -2.06 0.00 0.00 59.70 57.33 2c50 h MET 108 Cb 0.07 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2c50 h MET 108 CO -0.04 1.16 -0.45 1.96 1.06 0.00 0.00 176.91 180.59 2c50 h GLN 109 N 0.76 0.09 -0.13 1.72 4.20 -0.95 -2.90 115.11 117.90 2c50 h GLN 109 Ca 0.06 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2c50 h GLN 109 Cb 1.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 2c50 h GLN 109 CO 0.10 0.53 -0.19 0.78 -0.67 0.00 0.00 178.83 179.38 2c50 h GLY 110 N 1.34 0.40 -0.09 3.46 0.00 -0.87 -1.84 103.07 105.46 2c50 h GLY 110 Ca 0.00 -0.44 0.21 0.00 0.00 0.00 0.00 47.33 47.11 2c50 h GLY 110 CO 0.06 0.39 0.46 -2.00 0.00 0.00 0.00 176.54 175.46 2c50 h LEU 111 N -0.03 0.47 -1.95 3.11 5.85 -1.19 -2.29 115.31 119.28 2c50 h LEU 111 Ca 0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2c50 h LEU 111 Cb 0.75 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2c50 h LEU 111 CO 0.04 0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.40 2c50 n LEU 112 N -4.96 2.98 -4.75 2.25 4.77 -1.11 -4.31 117.00 111.88 2c50 n LEU 112 Ca 0.22 -1.10 -0.39 0.00 -0.03 0.00 0.00 56.01 54.71 2c50 n LEU 112 Cb 0.63 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 2c50 n LEU 112 CO 0.16 0.55 0.99 1.17 -1.33 0.00 0.00 177.39 178.93 2c50 n LYS 113 N 1.27 1.77 -1.61 3.23 4.81 -0.70 -4.76 118.16 122.17 2c50 n LYS 113 Ca 0.16 0.65 -0.43 0.00 -0.87 0.00 0.00 58.31 57.82 2c50 n LYS 113 Cb 0.57 -2.58 -0.01 0.00 0.02 0.00 0.00 35.03 33.04 2c50 n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2c50 n ASP 114 N -0.88 1.51 0.00 3.14 8.00 -1.26 -2.47 116.55 124.59 2c50 n ASP 114 Ca 0.10 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2c50 n ASP 114 Cb 0.44 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 2c50 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c50 n GLY 115 N 1.14 2.81 3.83 0.44 0.00 -1.26 -5.03 105.19 107.12 2c50 n GLY 115 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2c50 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c50 s ASN 116 N -1.86 5.87 0.11 1.61 0.01 -1.03 -4.89 114.94 114.76 2c50 s ASN 116 Ca 0.00 1.63 -0.21 0.00 -0.71 0.00 0.00 52.86 53.57 2c50 s ASN 116 Cb 0.00 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 2c50 s ASN 116 CO 0.00 -1.11 1.33 -2.65 -1.51 0.00 0.00 177.10 173.17 2c50 n PRO 117 N -2.48 -0.29 0.16 -0.60 -0.02 -1.26 -2.39 135.00 128.12 2c50 n PRO 117 Ca 0.07 1.31 -0.14 0.00 -2.02 0.00 0.00 63.50 62.73 2c50 n PRO 117 Cb 0.53 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 2c50 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2c50 h ILE 118 N 0.00 0.78 0.00 4.25 2.04 -1.94 -0.81 117.51 121.82 2c50 h ILE 118 Ca 0.11 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2c50 h ILE 118 Cb 0.27 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2c50 h ILE 118 CO -0.62 0.02 -0.07 1.55 0.00 0.00 0.00 178.15 179.03 2c50 h PRO 119 N -0.39 0.00 0.07 2.37 0.13 -1.74 -1.98 132.00 130.47 2c50 h PRO 119 Ca -0.03 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.81 2c50 h PRO 119 Cb 0.29 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.45 2c50 h PRO 119 CO 0.06 0.07 -1.16 0.77 -0.23 0.00 0.00 178.00 177.51 2c50 h SER 120 N 0.00 0.89 -0.15 1.44 0.02 -1.25 -2.34 113.55 112.17 2c50 h SER 120 Ca -0.00 -0.79 -0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2c50 h SER 120 Cb 0.20 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2c50 h SER 120 CO 0.01 1.58 0.08 0.00 -1.14 0.00 0.00 176.83 177.36 2c50 h ALA 121 N 0.33 0.19 -0.13 3.77 0.00 -0.63 -2.30 119.26 120.48 2c50 h ALA 121 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2c50 h ALA 121 Cb 1.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2c50 h ALA 121 CO 0.22 -0.28 0.08 0.82 0.00 0.00 0.00 179.25 180.10 2c50 h ILE 122 N 0.15 1.05 0.00 0.00 2.04 -1.45 0.15 117.51 119.45 2c50 h ILE 122 Ca 0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2c50 h ILE 122 Cb 0.07 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2c50 h ILE 122 CO -0.01 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.19 2c50 h ALA 123 N 1.03 1.00 -0.28 1.87 0.00 -1.28 -2.07 119.26 119.52 2c50 h ALA 123 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2c50 h ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2c50 h ALA 123 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 2c50 n ALA 124 N -1.85 2.67 -2.26 0.00 0.00 -0.88 -4.94 120.51 113.25 2c50 n ALA 124 Ca -0.01 -1.86 -0.21 0.00 0.00 0.00 0.00 53.44 51.37 2c50 n ALA 124 Cb 0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 2c50 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2c50 n ASN 125 N -0.14 -5.84 -4.70 0.00 3.02 -0.78 -4.96 115.26 101.86 2c50 n ASN 125 Ca 0.17 0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.50 2c50 n ASN 125 Cb 0.71 -4.91 -0.09 0.00 -0.61 0.00 0.00 39.78 34.87 2c50 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2c50 s SER 126 N -2.18 4.05 0.00 6.41 0.01 0.51 -5.03 113.70 117.47 2c50 s SER 126 Ca 0.00 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.77 2c50 s SER 126 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2c50 s SER 126 CO 0.00 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2c50 n GLY 127 N -1.14 6.02 3.87 3.44 0.00 -1.26 -4.01 105.19 112.10 2c50 n GLY 127 Ca -0.12 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 2c50 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c50 s ILE 128 N 1.39 4.84 0.00 -0.61 -1.09 -1.26 -4.80 121.20 119.66 2c50 s ILE 128 Ca 0.00 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 2c50 s ILE 128 Cb 0.00 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2c50 s ILE 128 CO 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 174.94 173.48