#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c51 n SER 2 N 0.00 0.00 -0.40 0.00 2.88 -1.26 -5.02 113.62 109.83 2c51 n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2c51 n SER 2 Cb 0.00 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 63.84 2c51 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2c51 n ASN 3 N 0.00 1.41 -4.32 -3.46 0.23 -1.26 -4.62 115.26 103.24 2c51 n ASN 3 Ca 0.00 -1.23 -0.43 0.00 -0.53 0.00 0.00 54.58 52.39 2c51 n ASN 3 Cb 0.00 0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 2c51 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2c51 n PHE 4 N -0.17 4.32 -4.41 -2.53 -0.00 -1.26 -4.90 117.46 108.52 2c51 n PHE 4 Ca 0.14 -2.89 -0.20 0.00 -0.00 0.00 0.00 57.45 54.50 2c51 n PHE 4 Cb 0.38 -2.61 -0.10 0.00 -0.00 0.00 0.00 39.48 37.15 2c51 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2c51 s THR 5 N 3.86 1.41 0.63 -2.13 -4.23 -1.26 -4.88 115.64 109.04 2c51 s THR 5 Ca 0.52 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 2c51 s THR 5 Cb 0.07 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 2c51 s THR 5 CO 0.03 -0.25 1.04 0.00 -0.54 0.00 0.00 174.62 174.89 2c51 s GLN 6 N -3.79 3.32 0.22 3.99 -2.07 -1.26 -4.63 119.66 115.44 2c51 s GLN 6 Ca 0.30 0.95 -0.18 0.00 -1.82 0.00 0.00 55.36 54.61 2c51 s GLN 6 Cb 0.05 -2.04 0.03 0.00 -1.09 0.00 0.00 33.01 29.96 2c51 s GLN 6 CO 0.12 -0.79 0.58 -0.59 -1.32 0.00 0.00 175.29 173.28 2c51 s PHE 7 N -2.90 -0.12 -0.44 9.60 -0.12 -0.32 -5.00 117.98 118.67 2c51 s PHE 7 Ca 0.58 -0.24 -0.24 0.00 -0.05 0.00 0.00 56.93 56.99 2c51 s PHE 7 Cb -0.13 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.75 2c51 s PHE 7 CO 0.48 -1.00 0.83 0.08 -0.05 0.00 0.00 175.22 175.56 2c51 s VAL 8 N -3.89 4.60 -0.10 -2.49 1.01 -1.26 -0.54 120.40 117.72 2c51 s VAL 8 Ca 0.10 0.59 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 2c51 s VAL 8 Cb -0.02 -4.35 -0.25 0.00 0.00 0.00 0.00 36.38 31.76 2c51 s VAL 8 CO 0.00 -0.73 0.89 0.25 0.00 0.00 0.00 175.10 175.52 2c51 h LEU 9 N 10.24 0.05 -8.14 3.92 5.85 -1.21 -3.43 115.31 122.58 2c51 h LEU 9 Ca -0.24 -0.88 -0.67 0.00 0.84 0.00 0.00 57.88 56.93 2c51 h LEU 9 Cb 1.08 -0.02 -0.33 0.00 0.37 0.00 0.00 40.66 41.77 2c51 h LEU 9 CO 0.98 0.93 -0.78 -0.69 -0.34 0.00 0.00 178.44 178.53 2c51 s VAL 10 N -2.69 2.65 -0.28 1.05 1.01 -0.57 -4.99 120.40 116.57 2c51 s VAL 10 Ca -0.18 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.73 2c51 s VAL 10 Cb -0.02 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2c51 s VAL 10 CO 0.70 0.33 0.25 -0.62 0.00 0.00 0.00 175.10 175.76 2c51 s ASP 11 N 1.32 6.09 -0.39 3.32 2.15 -1.26 -0.67 116.67 127.23 2c51 s ASP 11 Ca 0.02 0.03 0.10 0.00 0.43 0.00 0.00 52.55 53.12 2c51 s ASP 11 Cb -0.15 -2.15 0.44 0.00 -0.30 0.00 0.00 42.92 40.76 2c51 s ASP 11 CO -0.07 -0.11 1.06 0.59 -0.17 0.00 0.00 175.17 176.47 2c51 n ASN 12 N 5.15 3.61 -3.12 -0.34 3.02 -1.26 -5.00 115.26 117.31 2c51 n ASN 12 Ca -0.12 -3.36 -0.15 0.00 -0.03 0.00 0.00 54.58 50.92 2c51 n ASN 12 Cb 0.51 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 2c51 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c51 n GLY 13 N -0.36 -1.11 1.41 7.41 0.00 -1.26 -2.94 105.19 108.33 2c51 n GLY 13 Ca 0.29 0.78 -0.00 0.00 0.00 0.00 0.00 46.02 47.08 2c51 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c51 n GLY 14 N 0.32 -0.22 3.05 -0.02 0.00 -1.26 -4.80 105.19 102.26 2c51 n GLY 14 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2c51 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c51 s THR 15 N -0.90 -0.83 0.00 2.61 -4.23 -1.15 -4.83 115.64 106.30 2c51 s THR 15 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2c51 s THR 15 Cb -0.01 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.88 2c51 s THR 15 CO 0.01 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2c51 n GLY 16 N 5.40 0.56 3.69 3.99 0.00 -1.26 -4.69 105.19 112.87 2c51 n GLY 16 Ca -0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2c51 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c51 s ASP 17 N -2.70 7.04 -0.52 1.61 1.11 -1.26 -4.66 116.67 117.28 2c51 s ASP 17 Ca 0.00 1.88 -0.25 0.00 0.18 0.00 0.00 52.55 54.35 2c51 s ASP 17 Cb 0.00 -2.56 0.03 0.00 1.07 0.00 0.00 42.92 41.46 2c51 s ASP 17 CO 0.00 -0.57 0.98 -0.69 1.18 0.00 0.00 175.17 176.07 2c51 s VAL 18 N 2.01 4.35 -0.09 -1.27 1.01 0.15 -4.95 120.40 121.60 2c51 s VAL 18 Ca 0.57 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 2c51 s VAL 18 Cb -0.26 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 2c51 s VAL 18 CO 0.24 -1.05 0.06 0.28 0.00 0.00 0.00 175.10 174.63 2c51 s THR 19 N 4.06 4.83 -0.02 3.92 -1.32 -1.26 -0.63 115.64 125.22 2c51 s THR 19 Ca 0.35 -0.07 0.08 0.00 -1.21 0.00 0.00 61.69 60.84 2c51 s THR 19 Cb -0.11 -3.08 -0.02 0.00 -1.51 0.00 0.00 72.50 67.78 2c51 s THR 19 CO 0.23 0.59 -0.25 -0.69 -2.21 0.00 0.00 174.62 172.29 2c51 s VAL 20 N -0.97 2.01 0.16 5.08 1.01 0.30 -4.42 120.40 123.57 2c51 s VAL 20 Ca 0.15 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2c51 s VAL 20 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2c51 s VAL 20 CO 0.04 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.52 2c51 s ALA 21 N -0.60 2.00 0.21 5.51 0.00 -0.14 -1.18 121.76 127.57 2c51 s ALA 21 Ca 0.10 -1.49 -0.32 0.00 0.00 0.00 0.00 51.96 50.24 2c51 s ALA 21 Cb -0.10 -0.18 -0.13 0.00 0.00 0.00 0.00 23.12 22.71 2c51 s ALA 21 CO -0.01 0.23 1.57 -2.30 0.00 0.00 0.00 175.76 175.26 2c51 n PRO 22 N 0.29 2.33 0.00 0.00 -0.02 -1.26 -1.14 135.00 135.19 2c51 n PRO 22 Ca -0.13 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2c51 n PRO 22 Cb 0.57 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2c51 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c51 n SER 23 N 3.09 0.57 -3.62 2.55 3.41 0.01 -4.85 113.62 114.78 2c51 n SER 23 Ca 0.14 -0.08 -0.07 0.00 -0.26 0.00 0.00 58.87 58.60 2c51 n SER 23 Cb 0.32 0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2c51 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2c51 s ASN 24 N -0.40 -0.28 -0.03 4.04 3.84 -1.20 -4.99 114.94 115.93 2c51 s ASN 24 Ca 0.00 0.42 0.06 0.00 0.21 0.00 0.00 52.86 53.54 2c51 s ASN 24 Cb 0.00 0.38 0.10 0.00 -0.55 0.00 0.00 41.25 41.18 2c51 s ASN 24 CO 0.00 -0.18 1.05 0.33 -2.79 0.00 0.00 177.10 175.50 2c51 n PHE 25 N 1.23 0.00 -2.08 0.43 -0.00 -1.26 -0.14 117.46 115.65 2c51 n PHE 25 Ca -0.09 -0.25 -0.41 0.00 -0.00 0.00 0.00 57.45 56.69 2c51 n PHE 25 Cb 0.57 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.48 39.95 2c51 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c51 s ALA 26 N -0.58 3.59 -1.25 3.13 0.00 -1.25 -3.15 121.76 122.24 2c51 s ALA 26 Ca 0.09 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 2c51 s ALA 26 Cb 0.09 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2c51 s ALA 26 CO -0.01 -0.68 0.13 0.09 0.00 0.00 0.00 175.76 175.30 2c51 n ASN 27 N 2.23 -4.69 -0.70 0.00 3.02 -1.26 -2.90 115.26 110.96 2c51 n ASN 27 Ca 0.06 -0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.44 2c51 n ASN 27 Cb 0.41 -3.74 -0.04 0.00 -0.61 0.00 0.00 39.78 35.80 2c51 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c51 n GLY 28 N -1.11 1.02 3.19 7.41 0.00 -1.19 -4.97 105.19 109.55 2c51 n GLY 28 Ca -0.15 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2c51 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c51 s VAL 29 N -2.13 3.12 0.10 1.61 1.01 -1.14 -4.61 120.40 118.36 2c51 s VAL 29 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.36 2c51 s VAL 29 Cb 0.00 -2.78 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 2c51 s VAL 29 CO 0.00 -0.10 1.12 0.00 0.00 0.00 0.00 175.10 176.12 2c51 s ALA 30 N 1.28 3.35 0.05 5.51 0.00 0.01 -3.97 121.76 128.00 2c51 s ALA 30 Ca -0.04 0.78 0.07 0.00 0.00 0.00 0.00 51.96 52.77 2c51 s ALA 30 Cb -0.20 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2c51 s ALA 30 CO -0.00 -0.30 -0.20 -2.00 0.00 0.00 0.00 175.76 173.25 2c51 s GLU 31 N 0.43 1.28 -0.01 0.00 2.12 0.80 -1.08 118.70 122.25 2c51 s GLU 31 Ca 0.54 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.92 2c51 s GLU 31 Cb -0.28 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.70 2c51 s GLU 31 CO 0.31 0.35 -0.05 -1.58 -0.54 0.00 0.00 175.26 173.76 2c51 s TRP 32 N -0.88 0.49 0.10 5.30 0.51 0.03 -0.81 118.94 123.68 2c51 s TRP 32 Ca 0.07 -0.09 -0.01 0.00 -2.12 0.00 0.00 56.10 53.94 2c51 s TRP 32 Cb -0.09 -0.35 -0.04 0.00 -0.81 0.00 0.00 33.47 32.18 2c51 s TRP 32 CO 0.02 -0.03 0.01 0.96 -0.51 0.00 0.00 176.95 177.40 2c51 s ILE 33 N 0.04 0.21 0.46 2.03 -4.36 -0.30 -1.15 121.20 118.13 2c51 s ILE 33 Ca -0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2c51 s ILE 33 Cb -0.04 -1.82 -0.00 0.00 1.25 0.00 0.00 42.46 41.85 2c51 s ILE 33 CO -0.00 -0.70 0.68 -0.94 0.24 0.00 0.00 174.94 174.22 2c51 s SER 34 N -3.00 5.81 -1.13 4.36 1.04 -1.04 -0.96 113.70 118.78 2c51 s SER 34 Ca 0.17 0.30 -0.22 0.00 0.48 0.00 0.00 55.95 56.67 2c51 s SER 34 Cb 0.08 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 2c51 s SER 34 CO -0.03 -0.72 1.87 -0.44 0.98 0.00 0.00 173.24 174.90 2c51 s SER 35 N -4.22 5.46 0.31 7.02 0.01 -1.26 -4.76 113.70 116.26 2c51 s SER 35 Ca 0.49 -1.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.09 2c51 s SER 35 Cb -0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2c51 s SER 35 CO 0.38 -2.58 0.50 0.20 0.41 0.00 0.00 173.24 172.15 2c51 s ASN 36 N 6.32 0.43 0.39 2.44 0.01 -1.26 -5.06 114.94 118.21 2c51 s ASN 36 Ca 0.65 -1.25 -0.26 0.00 -0.71 0.00 0.00 52.86 51.29 2c51 s ASN 36 Cb -0.01 0.65 -0.09 0.00 0.41 0.00 0.00 41.25 42.21 2c51 s ASN 36 CO 0.08 -1.27 1.20 -0.94 -1.51 0.00 0.00 177.10 174.65 2c51 s SER 37 N -3.14 6.55 0.62 -1.22 1.04 -1.26 -4.78 113.70 111.52 2c51 s SER 37 Ca 0.26 2.41 0.25 0.00 0.48 0.00 0.00 55.95 59.36 2c51 s SER 37 Cb -0.01 -2.62 1.27 0.00 0.10 0.00 0.00 66.02 64.76 2c51 s SER 37 CO 0.15 -0.66 1.71 -0.09 0.98 0.00 0.00 173.24 175.33 2c51 h ARG 38 N 2.77 0.00 0.00 4.02 9.65 -1.97 0.24 114.38 129.09 2c51 h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2c51 h ARG 38 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2c51 h ARG 38 CO 0.63 0.00 -0.12 0.66 2.80 0.00 0.00 179.97 183.94 2c51 h SER 39 N 0.00 0.00 -0.08 -3.80 4.64 -1.88 -3.31 113.55 109.11 2c51 h SER 39 Ca 0.17 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2c51 h SER 39 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2c51 h SER 39 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2c51 n GLN 40 N -3.01 2.96 -3.05 4.77 6.02 0.77 -3.98 117.38 121.86 2c51 n GLN 40 Ca 0.04 -1.64 -0.32 0.00 -0.01 0.00 0.00 57.00 55.06 2c51 n GLN 40 Cb 0.53 -1.07 -0.05 0.00 1.02 0.00 0.00 30.24 30.66 2c51 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c51 s ALA 41 N -1.02 3.32 0.33 -1.58 0.00 -0.79 -4.84 121.76 117.18 2c51 s ALA 41 Ca 0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 2c51 s ALA 41 Cb 0.03 -2.76 -0.10 0.00 0.00 0.00 0.00 23.12 20.30 2c51 s ALA 41 CO 0.04 0.23 0.99 0.71 0.00 0.00 0.00 175.76 177.73 2c51 s TYR 42 N -2.10 3.61 -0.02 0.00 1.51 -1.26 -4.71 117.35 114.39 2c51 s TYR 42 Ca 0.54 1.75 0.01 0.00 -1.01 0.00 0.00 57.07 58.36 2c51 s TYR 42 Cb -0.10 -3.02 0.01 0.00 -0.11 0.00 0.00 41.96 38.73 2c51 s TYR 42 CO 0.21 -0.05 -0.04 0.21 -1.11 0.00 0.00 175.55 174.77 2c51 s LYS 43 N -2.00 0.48 -0.06 -0.62 2.20 -1.09 -2.48 119.74 116.17 2c51 s LYS 43 Ca 0.50 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 2c51 s LYS 43 Cb -0.22 -0.50 0.02 0.00 -1.51 0.00 0.00 37.83 35.62 2c51 s LYS 43 CO 0.28 0.04 -0.07 0.08 -0.36 0.00 0.00 175.35 175.31 2c51 s VAL 44 N 0.26 0.75 0.06 4.02 1.01 -0.30 -0.45 120.40 125.75 2c51 s VAL 44 Ca -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2c51 s VAL 44 Cb -0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2c51 s VAL 44 CO -0.00 0.28 -0.15 0.42 0.00 0.00 0.00 175.10 175.64 2c51 s THR 45 N 0.93 1.19 -0.02 3.92 -4.23 0.28 -0.79 115.64 116.92 2c51 s THR 45 Ca -0.11 -1.17 -0.06 0.00 -1.18 0.00 0.00 61.69 59.17 2c51 s THR 45 Cb -0.15 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.60 2c51 s THR 45 CO 0.01 -0.08 0.14 0.00 -0.54 0.00 0.00 174.62 174.14 2c51 s SER 47 N -0.84 -0.66 -0.04 0.00 1.04 -0.99 -0.81 113.70 111.40 2c51 s SER 47 Ca -0.09 1.09 0.06 0.00 0.48 0.00 0.00 55.95 57.49 2c51 s SER 47 Cb -0.05 1.06 -0.02 0.00 0.10 0.00 0.00 66.02 67.10 2c51 s SER 47 CO 0.01 -0.36 -0.20 -0.69 0.98 0.00 0.00 173.24 172.97 2c51 s VAL 48 N -0.22 2.54 -0.00 5.02 1.01 -1.26 -1.18 120.40 126.31 2c51 s VAL 48 Ca -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2c51 s VAL 48 Cb -0.03 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2c51 s VAL 48 CO 0.04 0.58 0.04 -0.60 0.00 0.00 0.00 175.10 175.17 2c51 s ARG 49 N -0.63 0.26 -1.36 2.72 3.52 -0.58 -4.97 118.95 117.91 2c51 s ARG 49 Ca 0.10 -0.30 -0.12 0.00 -0.13 0.00 0.00 55.73 55.28 2c51 s ARG 49 Cb -0.11 0.10 0.11 0.00 -1.56 0.00 0.00 34.95 33.50 2c51 s ARG 49 CO -0.00 -0.05 2.02 0.94 -0.81 0.00 0.00 175.30 177.40 2c51 n GLN 50 N 2.11 3.28 -0.46 5.12 -0.06 -1.26 0.01 117.38 126.12 2c51 n GLN 50 Ca -0.19 -3.13 0.40 0.00 -2.00 0.00 0.00 57.00 52.08 2c51 n GLN 50 Cb 0.57 -3.09 0.74 0.00 -4.06 0.00 0.00 30.24 24.39 2c51 n GLN 50 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2c51 h SER 51 N 5.90 0.08 -5.60 1.69 4.64 -1.86 -3.43 113.55 114.97 2c51 h SER 51 Ca 0.47 0.03 -0.32 0.00 -0.47 0.00 0.00 61.79 61.50 2c51 h SER 51 Cb 0.64 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.66 2c51 h SER 51 CO 1.73 -0.02 -0.24 -0.55 -0.87 0.00 0.00 176.83 176.88 2c51 s SER 52 N -4.70 1.09 0.32 4.97 0.15 -1.16 -4.97 113.70 109.40 2c51 s SER 52 Ca -0.06 -1.55 0.01 0.00 0.70 0.00 0.00 55.95 55.06 2c51 s SER 52 Cb 0.25 0.65 0.54 0.00 -1.71 0.00 0.00 66.02 65.75 2c51 s SER 52 CO 0.84 -1.27 1.90 0.00 1.20 0.00 0.00 173.24 175.91 2c51 h ALA 53 N 2.10 1.37 -0.03 5.45 0.00 -2.03 -3.20 119.26 122.92 2c51 h ALA 53 Ca -0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2c51 h ALA 53 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2c51 h ALA 53 CO 0.38 0.47 0.00 1.04 0.00 0.00 0.00 179.25 181.14 2c51 n GLN 54 N -4.33 1.56 -4.08 0.00 6.02 -1.26 -4.99 117.38 110.29 2c51 n GLN 54 Ca 0.04 -2.57 -0.11 0.00 -0.01 0.00 0.00 57.00 54.35 2c51 n GLN 54 Cb 0.17 -1.53 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 2c51 n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2c51 s ASN 55 N -2.69 0.76 -0.01 1.08 0.02 -1.21 -1.93 114.94 110.96 2c51 s ASN 55 Ca 0.32 -0.74 0.04 0.00 -1.02 0.00 0.00 52.86 51.46 2c51 s ASN 55 Cb 0.28 0.09 -0.01 0.00 0.02 0.00 0.00 41.25 41.63 2c51 s ASN 55 CO 0.04 -0.36 -0.14 -0.13 0.02 0.00 0.00 177.10 176.52 2c51 s ARG 56 N -2.58 1.15 -0.10 -0.60 0.52 -0.60 -2.96 118.95 113.79 2c51 s ARG 56 Ca -0.02 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2c51 s ARG 56 Cb -0.03 -1.11 0.02 0.00 0.52 0.00 0.00 34.95 34.35 2c51 s ARG 56 CO -0.03 0.31 -0.12 0.21 0.02 0.00 0.00 175.30 175.68 2c51 s LYS 57 N -0.34 1.90 -0.13 3.54 2.20 0.10 -0.95 119.74 126.06 2c51 s LYS 57 Ca 0.05 -0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 2c51 s LYS 57 Cb -0.05 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.51 2c51 s LYS 57 CO -0.01 -0.13 0.23 0.71 -0.36 0.00 0.00 175.35 175.80 2c51 s TYR 58 N 1.19 3.55 -0.22 4.03 1.51 -0.19 -1.52 117.35 125.69 2c51 s TYR 58 Ca -0.04 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.64 2c51 s TYR 58 Cb -0.14 -2.16 0.04 0.00 -0.11 0.00 0.00 41.96 39.59 2c51 s TYR 58 CO -0.04 0.49 -0.13 0.99 -1.11 0.00 0.00 175.55 175.75 2c51 s THR 59 N -0.33 1.97 -0.05 -0.71 2.01 -0.32 -0.89 115.64 117.32 2c51 s THR 59 Ca 0.16 -1.26 0.06 0.00 0.31 0.00 0.00 61.69 60.95 2c51 s THR 59 Cb -0.13 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 2c51 s THR 59 CO 0.05 0.17 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.31 2c51 s ILE 60 N 1.24 2.44 -0.02 1.82 1.01 0.18 -2.35 121.20 125.53 2c51 s ILE 60 Ca -0.03 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2c51 s ILE 60 Cb -0.17 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.41 2c51 s ILE 60 CO -0.08 0.58 -0.02 -0.54 0.00 0.00 0.00 174.94 174.88 2c51 s LYS 61 N -0.48 0.34 0.00 2.79 1.02 -0.32 -0.92 119.74 122.18 2c51 s LYS 61 Ca 0.06 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.08 2c51 s LYS 61 Cb -0.11 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.75 2c51 s LYS 61 CO 0.01 -0.05 -0.18 0.08 -0.92 0.00 0.00 175.35 174.30 2c51 s VAL 62 N 0.57 1.40 -0.19 3.17 1.01 -0.74 -0.56 120.40 125.06 2c51 s VAL 62 Ca -0.06 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2c51 s VAL 62 Cb -0.09 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.14 2c51 s VAL 62 CO -0.01 0.31 -0.11 -1.61 0.00 0.00 0.00 175.10 173.68 2c51 s GLU 63 N -0.65 2.06 -0.28 2.72 2.02 0.40 -1.22 118.70 123.76 2c51 s GLU 63 Ca 0.06 -0.79 -0.08 0.00 0.02 0.00 0.00 54.97 54.17 2c51 s GLU 63 Cb -0.07 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 2c51 s GLU 63 CO 0.00 -0.40 0.11 0.08 0.02 0.00 0.00 175.26 175.07 2c51 s VAL 64 N 1.41 4.43 0.24 2.63 1.01 -0.36 -2.67 120.40 127.09 2c51 s VAL 64 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2c51 s VAL 64 Cb -0.16 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2c51 s VAL 64 CO -0.09 0.19 0.41 -2.16 0.00 0.00 0.00 175.10 173.45 2c51 s PRO 65 N 1.61 3.49 -0.49 2.72 0.04 -1.26 -0.37 135.00 140.73 2c51 s PRO 65 Ca 0.05 -0.46 -0.08 0.00 0.04 0.00 0.00 61.00 60.55 2c51 s PRO 65 Cb -0.16 -2.82 0.13 0.00 0.04 0.00 0.00 34.50 31.68 2c51 s PRO 65 CO 0.05 0.36 0.35 0.21 0.04 0.00 0.00 177.00 178.01 2c51 s LYS 66 N -3.69 2.45 0.39 4.56 2.47 -0.38 -4.99 119.74 120.54 2c51 s LYS 66 Ca 0.37 -1.87 -0.26 0.00 -1.56 0.00 0.00 55.97 52.65 2c51 s LYS 66 Cb -0.10 -3.87 -0.09 0.00 -1.46 0.00 0.00 37.83 32.31 2c51 s LYS 66 CO 0.31 -1.18 1.26 0.14 0.16 0.00 0.00 175.35 176.03 2c51 s VAL 67 N 1.15 2.82 0.25 4.02 -7.23 -1.26 0.11 120.40 120.25 2c51 s VAL 67 Ca 0.08 0.73 -0.17 0.00 -1.81 0.00 0.00 61.98 60.81 2c51 s VAL 67 Cb -0.24 -3.43 0.01 0.00 0.56 0.00 0.00 36.38 33.28 2c51 s VAL 67 CO -0.02 0.11 0.59 0.00 -0.31 0.00 0.00 175.10 175.47 2c51 s ALA 68 N -1.29 -0.80 -0.33 1.32 0.00 -0.50 -4.73 121.76 115.44 2c51 s ALA 68 Ca 0.55 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.05 2c51 s ALA 68 Cb -0.36 0.94 0.10 0.00 0.00 0.00 0.00 23.12 23.79 2c51 s ALA 68 CO 0.46 -0.92 0.04 0.99 0.00 0.00 0.00 175.76 176.33 2c51 s THR 69 N -3.95 2.25 0.54 0.00 2.01 -1.26 -1.19 115.64 114.03 2c51 s THR 69 Ca 0.15 -2.28 -0.07 0.00 0.31 0.00 0.00 61.69 59.80 2c51 s THR 69 Cb -0.03 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2c51 s THR 69 CO 0.06 -0.56 0.88 -1.58 -0.69 0.00 0.00 174.62 172.73 2c51 s GLN 70 N 0.93 3.56 -0.58 4.92 0.74 -0.79 -4.85 119.66 123.59 2c51 s GLN 70 Ca 0.09 0.41 0.06 0.00 0.05 0.00 0.00 55.36 55.97 2c51 s GLN 70 Cb -0.19 -2.26 0.32 0.00 1.10 0.00 0.00 33.01 31.97 2c51 s GLN 70 CO -0.08 -0.35 0.88 2.41 -0.55 0.00 0.00 175.29 177.60 2c51 n THR 71 N -2.45 2.65 -2.19 -0.34 -1.04 -1.26 -1.01 114.28 108.64 2c51 n THR 71 Ca 0.03 -5.41 -0.41 0.00 -2.04 0.00 0.00 64.05 56.22 2c51 n THR 71 Cb 0.55 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 2c51 n THR 71 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2c51 s VAL 72 N -3.79 2.90 -1.50 12.58 1.01 -0.77 -3.23 120.40 127.60 2c51 s VAL 72 Ca 0.46 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 63.18 2c51 s VAL 72 Cb 0.25 -3.57 0.12 0.00 0.00 0.00 0.00 36.38 33.18 2c51 s VAL 72 CO -0.10 0.21 0.68 0.61 0.00 0.00 0.00 175.10 176.49 2c51 n GLY 73 N 0.97 -0.47 2.38 4.51 0.00 -1.26 -0.24 105.19 111.08 2c51 n GLY 73 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 2c51 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c51 n GLY 74 N -1.30 -0.33 2.96 -0.02 0.00 -1.20 -4.99 105.19 100.31 2c51 n GLY 74 Ca 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2c51 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c51 s VAL 75 N -2.96 0.43 -0.07 1.61 1.01 0.67 -5.11 120.40 115.97 2c51 s VAL 75 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 2c51 s VAL 75 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2c51 s VAL 75 CO 0.00 0.12 0.89 -1.61 0.00 0.00 0.00 175.10 174.50 2c51 s GLU 76 N -0.10 4.45 -0.01 2.72 2.02 -1.26 -1.85 118.70 124.66 2c51 s GLU 76 Ca 0.02 1.20 0.03 0.00 0.02 0.00 0.00 54.97 56.24 2c51 s GLU 76 Cb -0.02 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 2c51 s GLU 76 CO -0.00 -0.13 -0.11 -0.51 0.02 0.00 0.00 175.26 174.53 2c51 s LEU 77 N 1.40 1.96 -0.18 1.80 1.43 -0.18 -5.01 118.68 119.90 2c51 s LEU 77 Ca 0.45 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 2c51 s LEU 77 Cb -0.19 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2c51 s LEU 77 CO 0.20 0.12 1.26 -2.16 0.23 0.00 0.00 176.35 176.00 2c51 s PRO 78 N -0.13 4.20 0.16 1.29 0.04 -1.26 -1.88 135.00 137.42 2c51 s PRO 78 Ca 0.02 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.72 2c51 s PRO 78 Cb -0.05 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.70 2c51 s PRO 78 CO -0.00 -0.74 0.14 1.55 0.04 0.00 0.00 177.00 177.99 2c51 n VAL 79 N 5.45 0.00 -4.37 -0.36 3.14 -0.33 -4.69 118.33 117.16 2c51 n VAL 79 Ca 0.14 -1.20 -0.32 0.00 -2.96 0.00 0.00 64.34 60.00 2c51 n VAL 79 Cb 0.45 0.60 -0.16 0.00 -1.06 0.00 0.00 33.84 33.67 2c51 n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2c51 s ALA 80 N -2.67 2.18 0.18 1.55 0.00 -1.26 -1.41 121.76 120.33 2c51 s ALA 80 Ca 0.20 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 2c51 s ALA 80 Cb 0.01 -1.05 0.12 0.00 0.00 0.00 0.00 23.12 22.20 2c51 s ALA 80 CO 0.14 -0.19 1.81 0.00 0.00 0.00 0.00 175.76 177.52 2c51 h ALA 81 N 7.64 0.68 -2.68 0.00 0.00 -0.62 -3.46 119.26 120.81 2c51 h ALA 81 Ca -0.38 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.65 2c51 h ALA 81 Cb 1.16 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2c51 h ALA 81 CO 0.58 -0.00 0.35 1.67 0.00 0.00 0.00 179.25 181.85 2c51 s TRP 82 N -6.13 -0.17 0.02 0.00 1.48 -1.25 -5.02 118.94 107.87 2c51 s TRP 82 Ca -0.13 -0.21 0.04 0.00 -1.06 0.00 0.00 56.10 54.73 2c51 s TRP 82 Cb 0.13 0.67 -0.02 0.00 -1.16 0.00 0.00 33.47 33.10 2c51 s TRP 82 CO 0.74 -1.03 -0.12 1.03 -4.06 0.00 0.00 176.95 173.51 2c51 s ARG 83 N -3.61 0.83 -0.12 3.25 0.52 -1.26 -1.25 118.95 117.30 2c51 s ARG 83 Ca 0.11 -0.60 -0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2c51 s ARG 83 Cb -0.04 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 2c51 s ARG 83 CO 0.04 0.20 0.03 0.45 0.02 0.00 0.00 175.30 176.05 2c51 s SER 84 N -0.83 5.47 -0.13 0.23 0.15 0.50 -4.95 113.70 114.13 2c51 s SER 84 Ca 0.01 0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.84 2c51 s SER 84 Cb -0.06 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2c51 s SER 84 CO 0.01 0.31 -0.20 -0.31 1.20 0.00 0.00 173.24 174.25 2c51 s TYR 85 N -0.48 2.68 -0.17 3.44 1.51 -1.26 -1.23 117.35 121.83 2c51 s TYR 85 Ca 0.09 -1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 54.94 2c51 s TYR 85 Cb -0.12 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2c51 s TYR 85 CO 0.02 -0.51 0.02 -1.17 -1.11 0.00 0.00 175.55 172.80 2c51 s LEU 86 N 0.67 3.56 -0.20 -1.29 2.96 -0.35 -4.99 118.68 119.04 2c51 s LEU 86 Ca -0.10 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2c51 s LEU 86 Cb -0.16 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.70 2c51 s LEU 86 CO 0.02 0.17 0.01 0.21 -1.32 0.00 0.00 176.35 175.43 2c51 s ASN 87 N 0.40 3.05 0.00 3.68 2.47 -1.26 -1.79 114.94 121.49 2c51 s ASN 87 Ca 0.00 -0.85 0.05 0.00 0.42 0.00 0.00 52.86 52.48 2c51 s ASN 87 Cb -0.13 -0.73 -0.02 0.00 -1.45 0.00 0.00 41.25 38.92 2c51 s ASN 87 CO 0.01 -0.28 -0.17 0.00 -3.72 0.00 0.00 177.10 172.95 2c51 s MET 88 N 1.75 1.32 -0.09 0.43 0.23 -0.09 -5.01 119.30 117.83 2c51 s MET 88 Ca -0.02 -0.67 0.02 0.00 -1.03 0.00 0.00 55.69 53.99 2c51 s MET 88 Cb -0.17 -1.31 0.01 0.00 -1.53 0.00 0.00 34.83 31.84 2c51 s MET 88 CO -0.07 0.35 -0.16 -1.21 -2.03 0.00 0.00 175.02 171.90 2c51 s GLU 89 N -0.61 2.21 -0.22 3.16 2.02 -1.26 -0.64 118.70 123.36 2c51 s GLU 89 Ca 0.06 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.48 2c51 s GLU 89 Cb -0.07 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.38 2c51 s GLU 89 CO -0.00 0.01 -0.13 -1.17 0.02 0.00 0.00 175.26 173.99 2c51 s LEU 90 N 0.78 2.84 -0.28 1.80 2.96 -0.07 -4.96 118.68 121.74 2c51 s LEU 90 Ca -0.11 -0.93 -0.10 0.00 -0.22 0.00 0.00 54.13 52.77 2c51 s LEU 90 Cb -0.16 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2c51 s LEU 90 CO 0.02 -0.09 0.16 -0.89 -1.32 0.00 0.00 176.35 174.22 2c51 s THR 91 N 1.25 4.90 -0.10 3.68 2.01 -1.26 -1.02 115.64 125.10 2c51 s THR 91 Ca -0.00 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 61.95 2c51 s THR 91 Cb -0.16 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 2c51 s THR 91 CO -0.08 0.21 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.21 2c51 s ILE 92 N 1.69 2.29 0.53 1.82 1.01 -0.13 -4.96 121.20 123.45 2c51 s ILE 92 Ca 0.06 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 2c51 s ILE 92 Cb -0.16 -1.88 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 2c51 s ILE 92 CO 0.08 0.56 1.14 -2.16 0.00 0.00 0.00 174.94 174.56 2c51 s PRO 93 N 0.20 3.40 0.28 2.79 0.04 -1.26 -1.55 135.00 138.90 2c51 s PRO 93 Ca -0.13 1.65 0.22 0.00 0.04 0.00 0.00 61.00 62.78 2c51 s PRO 93 Cb -0.16 -2.06 1.04 0.00 0.04 0.00 0.00 34.50 33.35 2c51 s PRO 93 CO 0.07 -0.82 1.68 0.44 0.04 0.00 0.00 177.00 178.41 2c51 n ILE 94 N -1.19 0.93 1.26 0.56 -5.35 -0.81 -2.15 119.36 112.61 2c51 n ILE 94 Ca 0.11 0.44 0.14 0.00 -0.27 0.00 0.00 62.75 63.17 2c51 n ILE 94 Cb 0.50 -1.39 0.63 0.00 -1.74 0.00 0.00 39.64 37.64 2c51 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c51 n PHE 95 N -2.23 0.00 -2.25 4.28 3.01 -1.26 -4.84 117.46 114.17 2c51 n PHE 95 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.05 2c51 n PHE 95 Cb 0.15 -0.31 -0.03 0.00 -0.01 0.00 0.00 39.48 39.28 2c51 n PHE 95 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2c51 s ALA 96 N -2.70 3.54 0.88 4.37 0.00 -0.91 -5.02 121.76 121.91 2c51 s ALA 96 Ca 0.23 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 2c51 s ALA 96 Cb 0.20 -3.54 0.18 0.00 0.00 0.00 0.00 23.12 19.96 2c51 s ALA 96 CO 0.51 -0.69 1.21 0.95 0.00 0.00 0.00 175.76 177.74 2c51 s THR 97 N 1.59 2.03 0.26 0.00 -4.23 -1.26 -4.86 115.64 109.18 2c51 s THR 97 Ca 0.63 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2c51 s THR 97 Cb -0.33 -2.81 0.17 0.00 1.34 0.00 0.00 72.50 70.88 2c51 s THR 97 CO 0.28 0.00 1.84 0.78 -0.54 0.00 0.00 174.62 176.98 2c51 h ASN 98 N -1.27 0.92 0.75 3.99 4.21 -1.99 -1.39 115.58 120.81 2c51 h ASN 98 Ca -0.41 -0.13 -0.07 0.00 1.21 0.00 0.00 56.30 56.90 2c51 h ASN 98 Cb 1.24 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 2c51 h ASN 98 CO 0.37 0.82 -0.32 0.77 -1.29 0.00 0.00 177.43 177.79 2c51 h SER 99 N 0.98 0.00 0.07 5.81 4.64 -1.99 -1.20 113.55 121.86 2c51 h SER 99 Ca 0.23 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.35 2c51 h SER 99 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2c51 h SER 99 CO -0.02 0.32 -0.74 0.44 -0.87 0.00 0.00 176.83 175.96 2c51 h ASP 100 N 0.00 0.69 0.42 4.97 3.32 -1.67 -2.94 116.42 121.21 2c51 h ASP 100 Ca -0.00 -0.45 -0.16 0.00 0.02 0.00 0.00 57.03 56.44 2c51 h ASP 100 Cb 0.78 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2c51 h ASP 100 CO 0.04 1.21 -0.68 0.00 -1.72 0.00 0.00 179.24 178.10 2c51 h GLU 102 N 0.16 0.32 -0.20 0.00 5.08 -1.20 -1.90 114.58 116.83 2c51 h GLU 102 Ca -0.02 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2c51 h GLU 102 Cb 1.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2c51 h GLU 102 CO 0.10 0.43 -0.26 1.25 -1.00 0.00 0.00 179.01 179.53 2c51 h LEU 103 N 0.30 0.38 -0.18 1.33 5.85 -1.32 -1.69 115.31 119.98 2c51 h LEU 103 Ca 0.06 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 2c51 h LEU 103 Cb 0.37 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2c51 h LEU 103 CO 0.02 0.64 -0.55 0.40 -0.34 0.00 0.00 178.44 178.61 2c51 h ILE 104 N 0.34 1.31 -0.62 4.05 2.04 -1.24 -2.47 117.51 120.92 2c51 h ILE 104 Ca 0.05 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 2c51 h ILE 104 Cb 0.65 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 2c51 h ILE 104 CO 0.05 0.56 0.31 0.58 0.00 0.00 0.00 178.15 179.65 2c51 h VAL 105 N 0.38 1.21 -0.41 1.67 2.07 -1.15 -2.01 116.25 118.01 2c51 h VAL 105 Ca -0.02 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 2c51 h VAL 105 Cb 1.18 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2c51 h VAL 105 CO 0.12 0.24 -0.02 0.11 0.02 0.00 0.00 177.57 178.04 2c51 h LYS 106 N 0.85 0.67 -0.61 1.57 1.57 -1.32 -1.72 116.57 117.58 2c51 h LYS 106 Ca 0.22 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2c51 h LYS 106 Cb 0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2c51 h LYS 106 CO -0.03 0.70 0.16 0.00 -0.57 0.00 0.00 179.45 179.71 2c51 h ALA 107 N 1.35 0.81 -0.14 3.86 0.00 -1.02 0.66 119.26 124.77 2c51 h ALA 107 Ca 0.12 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2c51 h ALA 107 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2c51 h ALA 107 CO 0.02 0.51 -0.33 0.52 0.00 0.00 0.00 179.25 179.97 2c51 h MET 108 N 0.89 0.28 -0.12 0.00 2.86 -1.06 -0.77 114.93 117.01 2c51 h MET 108 Ca 0.19 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 2c51 h MET 108 Cb 0.34 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.99 2c51 h MET 108 CO 0.00 0.58 -0.48 1.96 1.06 0.00 0.00 176.91 180.03 2c51 h GLN 109 N 0.24 0.54 -0.20 1.72 4.20 -0.92 -3.11 115.11 117.57 2c51 h GLN 109 Ca 0.03 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 2c51 h GLN 109 Cb 0.70 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2c51 h GLN 109 CO 0.05 1.04 -0.17 0.78 -0.67 0.00 0.00 178.83 179.87 2c51 h GLY 110 N 0.15 0.36 0.96 3.46 0.00 -0.72 -2.57 103.07 104.71 2c51 h GLY 110 Ca -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2c51 h GLY 110 CO 0.10 0.23 0.45 -2.00 0.00 0.00 0.00 176.54 175.32 2c51 h LEU 111 N 0.31 0.77 -2.08 3.11 5.85 -1.11 -3.04 115.31 119.12 2c51 h LEU 111 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2c51 h LEU 111 Cb 0.48 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2c51 h LEU 111 CO 0.03 0.55 0.00 0.18 -0.34 0.00 0.00 178.44 178.86 2c51 n LEU 112 N -4.63 3.08 -4.77 2.25 4.77 -1.12 -4.40 117.00 112.19 2c51 n LEU 112 Ca 0.06 -1.41 -0.41 0.00 -0.03 0.00 0.00 56.01 54.22 2c51 n LEU 112 Cb 0.04 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2c51 n LEU 112 CO 0.35 0.71 1.07 -0.75 -1.33 0.00 0.00 177.39 177.44 2c51 s LYS 113 N -1.42 4.23 0.19 3.23 2.20 -0.99 -4.81 119.74 122.38 2c51 s LYS 113 Ca 0.39 2.39 -0.32 0.00 -0.36 0.00 0.00 55.97 58.06 2c51 s LYS 113 Cb 0.21 -3.03 -0.15 0.00 -1.51 0.00 0.00 37.83 33.36 2c51 s LYS 113 CO 0.29 -0.38 1.29 -0.25 -0.36 0.00 0.00 175.35 175.94 2c51 n ASP 114 N 0.87 1.97 0.00 1.43 8.00 -1.26 -1.77 116.55 125.80 2c51 n ASP 114 Ca 0.01 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2c51 n ASP 114 Cb 0.40 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 2c51 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c51 n GLY 115 N 2.17 3.30 3.83 0.44 0.00 -1.26 -5.05 105.19 108.62 2c51 n GLY 115 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2c51 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c51 s ASN 116 N -0.70 5.97 0.01 1.61 0.01 -0.73 -4.89 114.94 116.23 2c51 s ASN 116 Ca 0.00 1.65 -0.02 0.00 -0.71 0.00 0.00 52.86 53.79 2c51 s ASN 116 Cb 0.00 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 2c51 s ASN 116 CO 0.00 -1.04 0.88 -2.65 -1.51 0.00 0.00 177.10 172.78 2c51 n PRO 117 N -2.26 -0.02 0.12 -0.60 -0.02 -1.26 -2.39 135.00 128.57 2c51 n PRO 117 Ca 0.08 0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 2c51 n PRO 117 Cb 0.53 -1.31 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 2c51 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2c51 h ILE 118 N 0.00 0.30 0.00 4.25 2.04 -1.94 -1.33 117.51 120.82 2c51 h ILE 118 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2c51 h ILE 118 Cb 0.02 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2c51 h ILE 118 CO -0.05 0.00 -0.03 1.55 0.00 0.00 0.00 178.15 179.62 2c51 h PRO 119 N -0.56 0.00 -0.35 2.37 0.13 -1.76 -1.90 132.00 129.94 2c51 h PRO 119 Ca 0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 2c51 h PRO 119 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2c51 h PRO 119 CO -0.19 0.03 -0.36 0.77 -0.23 0.00 0.00 178.00 178.02 2c51 h SER 120 N 0.00 0.92 -0.04 1.44 0.02 -0.98 -1.89 113.55 113.02 2c51 h SER 120 Ca -0.00 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 2c51 h SER 120 Cb 0.08 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 2c51 h SER 120 CO 0.00 1.21 -0.00 0.00 -1.14 0.00 0.00 176.83 176.90 2c51 h ALA 121 N 0.74 0.05 -0.47 3.77 0.00 -0.53 -2.71 119.26 120.12 2c51 h ALA 121 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2c51 h ALA 121 Cb 0.95 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2c51 h ALA 121 CO 0.09 -0.27 0.25 0.82 0.00 0.00 0.00 179.25 180.14 2c51 h ILE 122 N -0.23 0.99 0.00 0.00 2.04 -1.38 -1.82 117.51 117.11 2c51 h ILE 122 Ca 0.01 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2c51 h ILE 122 Cb 0.34 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2c51 h ILE 122 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2c51 h ALA 123 N 1.24 1.00 -0.40 1.87 0.00 -1.33 -2.77 119.26 118.87 2c51 h ALA 123 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2c51 h ALA 123 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2c51 h ALA 123 CO -0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2c51 n ALA 124 N -1.94 2.25 -3.60 0.00 0.00 -0.75 -4.99 120.51 111.48 2c51 n ALA 124 Ca 0.01 -1.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.12 2c51 n ALA 124 Cb 0.23 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 19.19 2c51 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2c51 n ASN 125 N 0.80 -2.78 -3.04 0.00 3.02 -0.81 -4.99 115.26 107.45 2c51 n ASN 125 Ca 0.14 -0.69 -0.17 0.00 -0.03 0.00 0.00 54.58 53.83 2c51 n ASN 125 Cb 0.46 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 34.94 2c51 n ASN 125 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2c51 n SER 126 N -3.06 -0.85 -1.47 6.41 3.41 -0.81 -5.06 113.62 112.20 2c51 n SER 126 Ca -0.21 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 2c51 n SER 126 Cb 0.64 1.81 0.00 0.00 -0.26 0.00 0.00 64.21 66.40 2c51 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c51 n GLY 127 N -0.58 1.92 3.70 5.00 0.00 -1.26 -4.40 105.19 109.57 2c51 n GLY 127 Ca 0.05 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 2c51 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c51 s ILE 128 N 1.26 5.37 0.00 -0.61 -1.09 -1.26 -4.82 121.20 120.06 2c51 s ILE 128 Ca 0.00 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2c51 s ILE 128 Cb 0.00 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2c51 s ILE 128 CO 0.00 0.39 0.00 0.00 -1.23 0.00 0.00 174.94 174.10