#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c50 n SER 2 N 0.00 1.83 -0.64 0.00 2.88 -1.26 -4.83 113.62 111.59 2c50 n SER 2 Ca 0.00 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.74 2c50 n SER 2 Cb 0.00 -1.02 0.10 0.00 -0.75 0.00 0.00 64.21 62.53 2c50 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2c50 n ASN 3 N 4.70 2.46 -4.09 -3.46 0.23 -1.26 -4.76 115.26 109.08 2c50 n ASN 3 Ca 0.28 -1.70 -0.43 0.00 -0.53 0.00 0.00 54.58 52.20 2c50 n ASN 3 Cb 0.04 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 2c50 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2c50 n PHE 4 N 0.81 3.79 -4.52 -2.53 7.35 -1.26 -4.92 117.46 116.18 2c50 n PHE 4 Ca 0.10 -2.98 -0.24 0.00 -0.76 0.00 0.00 57.45 53.57 2c50 n PHE 4 Cb 0.39 -2.20 -0.11 0.00 0.35 0.00 0.00 39.48 37.92 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 1.63 1.49 0.63 -2.13 -4.23 -1.26 -4.90 115.64 106.87 2c50 s THR 5 Ca 0.43 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.81 2c50 s THR 5 Cb 0.06 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 2c50 s THR 5 CO -0.00 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.12 2c50 s GLN 6 N -3.82 3.29 0.22 3.99 -2.07 -1.26 -4.70 119.66 115.31 2c50 s GLN 6 Ca 0.35 0.99 -0.17 0.00 -1.82 0.00 0.00 55.36 54.71 2c50 s GLN 6 Cb 0.09 -2.04 0.02 0.00 -1.09 0.00 0.00 33.01 29.99 2c50 s GLN 6 CO 0.16 -0.82 0.56 -0.59 -1.32 0.00 0.00 175.29 173.28 2c50 s PHE 7 N -2.85 -0.05 -0.26 9.60 -0.71 -0.88 -5.00 117.98 117.83 2c50 s PHE 7 Ca 0.59 -0.32 -0.22 0.00 -1.04 0.00 0.00 56.93 55.94 2c50 s PHE 7 Cb -0.13 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.08 2c50 s PHE 7 CO 0.47 -0.99 0.71 0.08 -1.34 0.00 0.00 175.22 174.14 2c50 s VAL 8 N -3.91 4.91 -0.19 -2.49 1.01 -1.26 -1.35 120.40 117.13 2c50 s VAL 8 Ca 0.12 1.25 -0.19 0.00 0.00 0.00 0.00 61.98 63.16 2c50 s VAL 8 Cb -0.02 -4.02 -0.16 0.00 0.00 0.00 0.00 36.38 32.18 2c50 s VAL 8 CO 0.01 -0.05 0.19 0.25 0.00 0.00 0.00 175.10 175.50 2c50 h LEU 9 N 9.09 0.00 -8.37 3.92 5.85 -1.46 -3.45 115.31 120.89 2c50 h LEU 9 Ca -0.25 -0.45 -0.67 0.00 0.84 0.00 0.00 57.88 57.35 2c50 h LEU 9 Cb 1.11 0.00 -0.27 0.00 0.37 0.00 0.00 40.66 41.87 2c50 h LEU 9 CO 0.82 1.28 -0.65 -0.69 -0.34 0.00 0.00 178.44 178.86 2c50 s VAL 10 N -2.30 3.75 -0.31 1.05 1.01 -1.13 -4.99 120.40 117.48 2c50 s VAL 10 Ca -0.25 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 2c50 s VAL 10 Cb 0.04 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2c50 s VAL 10 CO 0.52 0.15 0.18 -0.62 0.00 0.00 0.00 175.10 175.33 2c50 s ASP 11 N 1.48 5.75 -0.40 3.32 2.15 -1.26 -0.91 116.67 126.80 2c50 s ASP 11 Ca 0.03 -0.36 0.05 0.00 0.43 0.00 0.00 52.55 52.70 2c50 s ASP 11 Cb -0.17 -2.06 0.45 0.00 -0.30 0.00 0.00 42.92 40.84 2c50 s ASP 11 CO 0.01 -0.16 1.34 0.59 -0.17 0.00 0.00 175.17 176.78 2c50 n ASN 12 N 5.03 5.44 -3.38 -0.34 3.02 -1.26 -4.96 115.26 118.81 2c50 n ASN 12 Ca -0.14 -3.76 -0.14 0.00 -0.03 0.00 0.00 54.58 50.52 2c50 n ASN 12 Cb 0.50 -0.49 0.02 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.70 -1.20 4.63 7.41 0.00 -1.26 -3.33 105.19 110.75 2c50 n GLY 13 Ca 0.47 0.51 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 -1.66 0.59 3.50 -0.02 0.00 -1.26 -4.89 105.19 101.45 2c50 n GLY 14 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2c50 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c50 s THR 15 N 0.00 5.22 0.00 2.61 -1.32 -1.21 -4.25 115.64 116.69 2c50 s THR 15 Ca 0.00 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2c50 s THR 15 Cb 0.00 -3.88 0.00 0.00 -1.51 0.00 0.00 72.50 67.11 2c50 s THR 15 CO 0.00 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 2c50 n GLY 16 N 5.10 0.76 3.80 6.08 0.00 -1.26 -4.67 105.19 115.00 2c50 n GLY 16 Ca -0.10 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.62 5.34 -0.27 1.61 1.01 -1.26 -4.63 116.67 115.84 2c50 s ASP 17 Ca 0.00 1.79 -0.03 0.00 0.71 0.00 0.00 52.55 55.02 2c50 s ASP 17 Cb 0.00 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.44 2c50 s ASP 17 CO 0.00 -1.47 -0.02 -0.69 0.21 0.00 0.00 175.17 173.21 2c50 s VAL 18 N -2.69 3.11 -0.12 -1.27 1.01 -0.09 -5.00 120.40 115.36 2c50 s VAL 18 Ca 0.62 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 2c50 s VAL 18 Cb -0.16 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2c50 s VAL 18 CO 0.46 0.08 0.16 -0.89 0.00 0.00 0.00 175.10 174.92 2c50 s THR 19 N 1.33 5.45 -0.14 3.92 2.01 -1.26 -1.08 115.64 125.88 2c50 s THR 19 Ca -0.01 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2c50 s THR 19 Cb -0.18 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 2c50 s THR 19 CO -0.02 0.59 -0.17 0.54 -0.69 0.00 0.00 174.62 174.87 2c50 s VAL 20 N -0.85 2.59 0.13 3.82 0.11 -0.45 -4.40 120.40 121.36 2c50 s VAL 20 Ca 0.15 -0.81 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2c50 s VAL 20 Cb -0.12 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2c50 s VAL 20 CO 0.04 0.53 -0.17 0.00 -3.33 0.00 0.00 175.10 172.17 2c50 s ALA 21 N 0.59 2.71 0.18 1.54 0.00 -0.52 -2.08 121.76 124.19 2c50 s ALA 21 Ca -0.10 -1.40 -0.33 0.00 0.00 0.00 0.00 51.96 50.14 2c50 s ALA 21 Cb -0.16 -0.63 -0.15 0.00 0.00 0.00 0.00 23.12 22.18 2c50 s ALA 21 CO 0.03 0.56 1.30 -2.30 0.00 0.00 0.00 175.76 175.35 2c50 n PRO 22 N 0.63 1.53 0.00 0.00 -0.02 -1.26 -1.16 135.00 134.72 2c50 n PRO 22 Ca -0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2c50 n PRO 22 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 2.26 0.01 -3.59 2.55 3.41 0.68 -4.82 113.62 114.12 2c50 n SER 23 Ca 0.15 -0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 2c50 n SER 23 Cb 0.26 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.09 -0.33 0.00 4.04 3.84 -1.20 -4.98 114.94 116.23 2c50 s ASN 24 Ca 0.00 0.36 0.10 0.00 0.21 0.00 0.00 52.86 53.54 2c50 s ASN 24 Cb 0.00 0.28 0.17 0.00 -0.55 0.00 0.00 41.25 41.15 2c50 s ASN 24 CO 0.00 -0.30 1.03 0.33 -2.79 0.00 0.00 177.10 175.38 2c50 n PHE 25 N 0.74 0.00 -2.06 0.43 7.35 -1.26 -0.72 117.46 121.93 2c50 n PHE 25 Ca -0.09 -0.23 -0.42 0.00 -0.76 0.00 0.00 57.45 55.95 2c50 n PHE 25 Cb 0.58 -0.04 -0.03 0.00 0.35 0.00 0.00 39.48 40.35 2c50 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2c50 s ALA 26 N 0.00 3.63 -0.73 3.13 0.00 -1.26 -2.91 121.76 123.63 2c50 s ALA 26 Ca 0.14 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2c50 s ALA 26 Cb 0.16 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2c50 s ALA 26 CO -0.07 -1.11 0.00 0.09 0.00 0.00 0.00 175.76 174.67 2c50 n ASN 27 N 5.93 -3.12 0.00 0.00 3.02 -1.26 -3.16 115.26 116.68 2c50 n ASN 27 Ca 0.15 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2c50 n ASN 27 Cb 0.42 -2.22 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 2c50 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c50 n GLY 28 N -1.19 0.99 3.48 7.41 0.00 -1.14 -4.95 105.19 109.78 2c50 n GLY 28 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.88 4.49 0.32 1.61 1.01 -1.19 -4.75 120.40 119.01 2c50 s VAL 29 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2c50 s VAL 29 Cb 0.00 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.75 2c50 s VAL 29 CO 0.00 -1.16 1.20 0.00 0.00 0.00 0.00 175.10 175.14 2c50 s ALA 30 N 3.66 3.42 0.01 5.51 0.00 -1.02 -3.99 121.76 129.36 2c50 s ALA 30 Ca 0.24 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.30 2c50 s ALA 30 Cb -0.16 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2c50 s ALA 30 CO 0.14 -0.42 -0.10 -2.00 0.00 0.00 0.00 175.76 173.39 2c50 s GLU 31 N -1.69 0.72 -0.01 0.00 2.12 0.10 -1.91 118.70 118.02 2c50 s GLU 31 Ca 0.48 -0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.33 2c50 s GLU 31 Cb -0.35 -0.67 -0.01 0.00 0.26 0.00 0.00 34.13 33.37 2c50 s GLU 31 CO 0.46 0.17 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.68 2c50 s TRP 32 N -0.58 0.81 0.04 5.30 0.51 0.48 -0.23 118.94 125.27 2c50 s TRP 32 Ca 0.00 -0.16 -0.02 0.00 -2.12 0.00 0.00 56.10 53.81 2c50 s TRP 32 Cb -0.06 -0.53 -0.03 0.00 -0.81 0.00 0.00 33.47 32.05 2c50 s TRP 32 CO 0.00 -0.02 0.01 0.96 -0.51 0.00 0.00 176.95 177.39 2c50 s ILE 33 N -0.17 0.18 0.94 2.03 -4.36 -0.31 -0.96 121.20 118.55 2c50 s ILE 33 Ca 0.03 -1.45 -0.14 0.00 -0.26 0.00 0.00 60.65 58.83 2c50 s ILE 33 Cb -0.04 -1.13 0.20 0.00 1.25 0.00 0.00 42.46 42.74 2c50 s ILE 33 CO -0.00 -0.80 1.29 -0.94 0.24 0.00 0.00 174.94 174.73 2c50 s SER 34 N -2.47 3.17 -1.26 4.36 1.04 -0.81 -1.44 113.70 116.30 2c50 s SER 34 Ca -0.00 0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 2c50 s SER 34 Cb 0.02 -0.18 0.18 0.00 0.10 0.00 0.00 66.02 66.14 2c50 s SER 34 CO -0.07 -2.69 1.87 -0.24 0.98 0.00 0.00 173.24 173.09 2c50 n SER 35 N -3.68 5.43 -2.69 7.02 2.88 -1.26 -4.82 113.62 116.49 2c50 n SER 35 Ca 0.16 -3.15 -0.15 0.00 -1.33 0.00 0.00 58.87 54.40 2c50 n SER 35 Cb 0.59 -1.44 -0.06 0.00 -0.75 0.00 0.00 64.21 62.55 2c50 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2c50 n ASN 36 N 3.40 -0.51 -4.82 -3.46 3.02 -1.26 -5.09 115.26 106.55 2c50 n ASN 36 Ca 0.40 -2.65 -0.32 0.00 -0.03 0.00 0.00 54.58 51.97 2c50 n ASN 36 Cb 0.35 1.26 0.03 0.00 -0.61 0.00 0.00 39.78 40.80 2c50 n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2c50 s SER 37 N -2.76 5.67 0.19 6.41 1.04 -1.26 -4.79 113.70 118.20 2c50 s SER 37 Ca 0.30 1.70 0.19 0.00 0.48 0.00 0.00 55.95 58.62 2c50 s SER 37 Cb 0.01 -2.51 0.85 0.00 0.10 0.00 0.00 66.02 64.47 2c50 s SER 37 CO 0.21 -1.24 1.59 0.54 0.98 0.00 0.00 173.24 175.32 2c50 n ARG 38 N -2.52 0.12 0.17 4.02 1.74 -1.26 -1.41 116.66 117.52 2c50 n ARG 38 Ca 0.08 0.43 0.12 0.00 -0.77 0.00 0.00 57.85 57.70 2c50 n ARG 38 Cb 0.53 -1.77 0.13 0.00 -1.02 0.00 0.00 32.46 30.33 2c50 n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2c50 h SER 39 N 0.00 0.00 0.00 0.55 4.64 -1.98 -3.33 113.55 113.43 2c50 h SER 39 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2c50 h SER 39 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2c50 h SER 39 CO 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2c50 n GLN 40 N -2.89 2.91 -2.56 4.77 6.02 -0.63 -5.00 117.38 120.01 2c50 n GLN 40 Ca 0.03 -1.48 -0.27 0.00 -0.01 0.00 0.00 57.00 55.27 2c50 n GLN 40 Cb 0.53 -0.99 0.01 0.00 1.02 0.00 0.00 30.24 30.81 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 -0.98 3.38 -0.15 -1.58 0.00 -0.50 -4.75 121.76 117.17 2c50 s ALA 41 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2c50 s ALA 41 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2c50 s ALA 41 CO 0.00 -0.48 0.46 0.71 0.00 0.00 0.00 175.76 176.45 2c50 s TYR 42 N -2.81 3.46 0.01 0.00 1.51 -1.26 -4.41 117.35 113.85 2c50 s TYR 42 Ca 0.49 0.80 0.07 0.00 -1.01 0.00 0.00 57.07 57.42 2c50 s TYR 42 Cb -0.10 -2.55 -0.02 0.00 -0.11 0.00 0.00 41.96 39.17 2c50 s TYR 42 CO 0.45 0.09 -0.21 0.21 -1.11 0.00 0.00 175.55 174.99 2c50 s LYS 43 N 0.92 1.53 -0.04 -0.62 2.20 -0.86 -1.92 119.74 120.95 2c50 s LYS 43 Ca 0.24 -0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 55.02 2c50 s LYS 43 Cb -0.15 -1.55 0.03 0.00 -1.51 0.00 0.00 37.83 34.64 2c50 s LYS 43 CO 0.09 0.41 0.01 0.08 -0.36 0.00 0.00 175.35 175.58 2c50 s VAL 44 N -0.63 0.18 0.07 4.02 1.01 -0.13 -1.10 120.40 123.81 2c50 s VAL 44 Ca 0.08 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.23 2c50 s VAL 44 Cb -0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2c50 s VAL 44 CO 0.00 0.16 -0.14 0.42 0.00 0.00 0.00 175.10 175.55 2c50 s THR 45 N 1.24 1.08 -0.17 3.92 -4.23 -0.53 -0.39 115.64 116.56 2c50 s THR 45 Ca -0.07 -1.32 -0.13 0.00 -1.18 0.00 0.00 61.69 59.00 2c50 s THR 45 Cb -0.13 -1.07 0.05 0.00 1.34 0.00 0.00 72.50 72.69 2c50 s THR 45 CO -0.02 -0.25 0.43 0.00 -0.54 0.00 0.00 174.62 174.24 2c50 s SER 47 N 0.75 0.15 0.09 0.00 1.04 -0.89 -2.42 113.70 112.42 2c50 s SER 47 Ca -0.04 -0.55 0.06 0.00 0.48 0.00 0.00 55.95 55.90 2c50 s SER 47 Cb -0.05 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 2c50 s SER 47 CO -0.06 -0.57 -0.16 -0.69 0.98 0.00 0.00 173.24 172.75 2c50 s VAL 48 N -2.95 1.30 0.16 5.02 1.01 -1.26 -0.72 120.40 122.96 2c50 s VAL 48 Ca -0.02 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.26 2c50 s VAL 48 Cb 0.01 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 35.16 2c50 s VAL 48 CO -0.06 -0.23 0.78 0.00 0.00 0.00 0.00 175.10 175.59 2c50 s ARG 49 N -2.00 1.31 -0.78 2.72 1.70 -0.89 -4.97 118.95 116.05 2c50 s ARG 49 Ca 0.02 -0.63 -0.22 0.00 -0.47 0.00 0.00 55.73 54.43 2c50 s ARG 49 Cb -0.09 0.51 0.08 0.00 -0.57 0.00 0.00 34.95 34.88 2c50 s ARG 49 CO 0.03 -0.59 1.10 -1.14 -1.08 0.00 0.00 175.30 173.61 2c50 s GLN 50 N -3.55 3.30 0.47 3.89 2.00 -1.26 0.38 119.66 124.89 2c50 s GLN 50 Ca 0.08 -1.05 0.20 0.00 -2.00 0.00 0.00 55.36 52.58 2c50 s GLN 50 Cb -0.03 -4.54 1.18 0.00 0.80 0.00 0.00 33.01 30.43 2c50 s GLN 50 CO -0.03 -1.89 2.02 0.66 -0.50 0.00 0.00 175.29 175.56 2c50 h SER 51 N 9.45 0.00 -1.75 6.67 4.64 -1.72 -3.47 113.55 127.37 2c50 h SER 51 Ca -0.11 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 2c50 h SER 51 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2c50 h SER 51 CO 1.20 0.17 0.22 -1.54 -0.87 0.00 0.00 176.83 176.01 2c50 n SER 52 N -4.01 -0.99 -0.23 4.97 3.41 -1.10 -4.97 113.62 110.69 2c50 n SER 52 Ca -0.02 -1.61 -0.01 0.00 -0.26 0.00 0.00 58.87 56.97 2c50 n SER 52 Cb 0.25 1.63 0.21 0.00 -0.26 0.00 0.00 64.21 66.04 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 1.37 0.00 7.33 0.00 -2.04 -3.17 119.26 124.75 2c50 h ALA 53 Ca -0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2c50 h ALA 53 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2c50 h ALA 53 CO 0.20 0.54 -1.34 0.94 0.00 0.00 0.00 179.25 179.59 2c50 n GLN 54 N -4.38 0.62 -4.32 0.00 -0.06 -1.26 -4.91 117.38 103.07 2c50 n GLN 54 Ca 0.08 0.11 -0.17 0.00 -2.00 0.00 0.00 57.00 55.02 2c50 n GLN 54 Cb 0.07 -1.77 -0.10 0.00 -4.06 0.00 0.00 30.24 24.38 2c50 n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2c50 s ASN 55 N -5.39 2.03 0.16 1.69 0.01 -1.20 -0.56 114.94 111.67 2c50 s ASN 55 Ca -0.03 -1.14 0.10 0.00 -0.71 0.00 0.00 52.86 51.08 2c50 s ASN 55 Cb 0.10 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.68 2c50 s ASN 55 CO 0.82 -0.41 -0.23 -0.13 -1.51 0.00 0.00 177.10 175.63 2c50 s ARG 56 N -3.79 1.38 -0.03 -0.60 0.52 -0.85 -2.12 118.95 113.45 2c50 s ARG 56 Ca 0.25 -1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 54.05 2c50 s ARG 56 Cb 0.04 -1.70 0.03 0.00 0.52 0.00 0.00 34.95 33.84 2c50 s ARG 56 CO 0.07 0.38 0.05 0.21 0.02 0.00 0.00 175.30 176.03 2c50 s LYS 57 N -2.39 -0.06 -0.05 3.54 2.20 0.16 -1.47 119.74 121.67 2c50 s LYS 57 Ca 0.16 0.32 -0.18 0.00 -0.36 0.00 0.00 55.97 55.91 2c50 s LYS 57 Cb -0.09 -0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 35.77 2c50 s LYS 57 CO 0.07 -0.28 0.50 0.71 -0.36 0.00 0.00 175.35 175.99 2c50 s TYR 58 N 1.80 3.62 -0.25 4.03 1.51 0.23 -2.09 117.35 126.20 2c50 s TYR 58 Ca 0.00 1.01 0.02 0.00 -1.01 0.00 0.00 57.07 57.10 2c50 s TYR 58 Cb -0.12 -2.50 0.06 0.00 -0.11 0.00 0.00 41.96 39.28 2c50 s TYR 58 CO -0.03 0.35 -0.10 0.99 -1.11 0.00 0.00 175.55 175.65 2c50 s THR 59 N -0.07 2.01 -0.13 -0.71 2.01 0.10 -0.58 115.64 118.28 2c50 s THR 59 Ca 0.27 -1.50 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 2c50 s THR 59 Cb -0.16 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2c50 s THR 59 CO 0.13 -0.01 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.32 2c50 s ILE 60 N 1.18 3.32 -0.03 1.82 1.01 -0.09 -2.10 121.20 126.31 2c50 s ILE 60 Ca -0.07 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2c50 s ILE 60 Cb -0.19 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 2c50 s ILE 60 CO -0.06 0.53 -0.15 -0.54 0.00 0.00 0.00 174.94 174.72 2c50 s LYS 61 N 0.17 1.44 0.03 2.79 1.02 -0.52 -0.16 119.74 124.52 2c50 s LYS 61 Ca -0.06 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 55.47 2c50 s LYS 61 Cb -0.15 -1.30 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 2c50 s LYS 61 CO 0.04 0.24 -0.15 0.08 -0.92 0.00 0.00 175.35 174.64 2c50 s VAL 62 N -0.04 1.20 -0.10 3.17 1.01 -0.71 -1.46 120.40 123.47 2c50 s VAL 62 Ca -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2c50 s VAL 62 Cb -0.09 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2c50 s VAL 62 CO 0.01 0.07 -0.14 -1.61 0.00 0.00 0.00 175.10 173.43 2c50 s GLU 63 N -1.06 2.06 -0.11 2.72 2.02 -0.26 -0.32 118.70 123.75 2c50 s GLU 63 Ca 0.03 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.55 2c50 s GLU 63 Cb -0.08 -1.77 0.01 0.00 0.10 0.00 0.00 34.13 32.39 2c50 s GLU 63 CO 0.01 -0.07 -0.21 0.08 0.02 0.00 0.00 175.26 175.10 2c50 s VAL 64 N 1.00 1.87 0.46 2.63 1.01 -0.64 -2.02 120.40 124.71 2c50 s VAL 64 Ca -0.07 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2c50 s VAL 64 Cb -0.15 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 2c50 s VAL 64 CO -0.01 0.52 0.97 -2.16 0.00 0.00 0.00 175.10 174.41 2c50 s PRO 65 N 0.59 4.09 -0.19 2.72 0.04 -1.26 -0.77 135.00 140.23 2c50 s PRO 65 Ca -0.14 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 2c50 s PRO 65 Cb -0.17 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 2c50 s PRO 65 CO 0.04 -0.15 0.98 0.21 0.04 0.00 0.00 177.00 178.12 2c50 s LYS 66 N -3.42 4.30 -0.16 4.56 2.20 -0.71 -4.89 119.74 121.62 2c50 s LYS 66 Ca 0.62 1.28 0.04 0.00 -0.36 0.00 0.00 55.97 57.54 2c50 s LYS 66 Cb -0.10 -3.60 -0.23 0.00 -1.51 0.00 0.00 37.83 32.39 2c50 s LYS 66 CO 0.19 -0.48 0.20 0.28 -0.36 0.00 0.00 175.35 175.17 2c50 n VAL 67 N 5.01 1.60 -1.69 4.02 0.31 -1.26 -4.72 118.33 121.60 2c50 n VAL 67 Ca 0.09 -0.69 -0.45 0.00 -0.01 0.00 0.00 64.34 63.28 2c50 n VAL 67 Cb 0.47 -1.29 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 2c50 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c50 n ALA 68 N -2.95 1.81 -1.36 3.52 0.00 -1.26 -1.47 120.51 118.81 2c50 n ALA 68 Ca -0.33 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 2c50 n ALA 68 Cb 1.05 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 2c50 n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2c50 n THR 69 N 3.94 0.00 -2.38 0.00 -2.24 -1.26 -4.99 114.28 107.35 2c50 n THR 69 Ca 0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.60 2c50 n THR 69 Cb 0.32 -1.42 -0.02 0.00 -2.10 0.00 0.00 70.33 67.10 2c50 n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2c50 s GLN 70 N -2.94 3.78 -0.38 -0.78 0.74 -0.54 -5.02 119.66 114.51 2c50 s GLN 70 Ca 0.00 1.61 -0.02 0.00 0.05 0.00 0.00 55.36 57.00 2c50 s GLN 70 Cb 0.00 -2.30 0.10 0.00 1.10 0.00 0.00 33.01 31.91 2c50 s GLN 70 CO 0.00 -0.50 0.15 0.99 -0.55 0.00 0.00 175.29 175.39 2c50 s THR 71 N -1.70 3.09 -0.24 -0.34 2.01 -1.26 -5.06 115.64 112.14 2c50 s THR 71 Ca 0.65 -2.01 -0.38 0.00 0.31 0.00 0.00 61.69 60.26 2c50 s THR 71 Cb -0.24 -3.09 -0.14 0.00 0.01 0.00 0.00 72.50 69.04 2c50 s THR 71 CO 0.29 -0.60 1.87 0.52 -0.69 0.00 0.00 174.62 176.01 2c50 n VAL 72 N 4.54 0.37 -0.90 3.82 0.31 -1.26 -0.80 118.33 124.41 2c50 n VAL 72 Ca -0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2c50 n VAL 72 Cb 0.42 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2c50 n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c50 n GLY 73 N 4.71 0.74 3.97 2.92 0.00 -1.26 -5.04 105.19 111.23 2c50 n GLY 73 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 2c50 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c50 s GLY 74 N -1.95 1.76 -0.37 -0.02 0.00 0.02 -5.04 107.32 101.71 2c50 s GLY 74 Ca 0.00 -1.48 -0.17 0.00 0.00 0.00 0.00 44.72 43.08 2c50 s GLY 74 CO 0.00 -0.92 0.43 0.14 0.00 0.00 0.00 173.10 172.75 2c50 s VAL 75 N -3.27 5.09 -0.24 1.40 1.01 -1.26 -5.02 120.40 118.12 2c50 s VAL 75 Ca 0.66 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2c50 s VAL 75 Cb -0.06 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.44 2c50 s VAL 75 CO 0.45 -0.24 -0.12 -1.61 0.00 0.00 0.00 175.10 173.59 2c50 s GLU 76 N 2.18 2.27 0.17 2.72 2.02 -1.26 -5.11 118.70 121.69 2c50 s GLU 76 Ca 0.14 -1.19 0.10 0.00 0.02 0.00 0.00 54.97 54.04 2c50 s GLU 76 Cb -0.16 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2c50 s GLU 76 CO 0.13 -0.51 -0.23 -0.51 0.02 0.00 0.00 175.26 174.16 2c50 s LEU 77 N 1.18 2.40 0.34 1.80 2.01 -1.26 -4.11 118.68 121.05 2c50 s LEU 77 Ca -0.06 -0.83 -0.26 0.00 0.01 0.00 0.00 54.13 53.00 2c50 s LEU 77 Cb -0.19 -1.09 -0.10 0.00 0.01 0.00 0.00 46.19 44.83 2c50 s LEU 77 CO -0.07 0.10 0.99 -2.16 1.01 0.00 0.00 176.35 176.23 2c50 s PRO 78 N -2.50 4.45 0.38 1.29 0.04 -1.26 -5.01 135.00 132.38 2c50 s PRO 78 Ca 0.17 1.43 0.12 0.00 0.04 0.00 0.00 61.00 62.76 2c50 s PRO 78 Cb -0.08 -2.75 0.91 0.00 0.04 0.00 0.00 34.50 32.63 2c50 s PRO 78 CO 0.08 0.13 1.86 0.28 0.04 0.00 0.00 177.00 179.39 2c50 h VAL 79 N 2.51 0.77 0.00 -0.36 2.07 -2.00 -0.84 116.25 118.40 2c50 h VAL 79 Ca -0.47 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2c50 h VAL 79 Cb 1.20 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2c50 h VAL 79 CO 0.64 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.34 2c50 n ALA 80 N -2.46 1.44 0.12 1.67 0.00 -1.26 -1.99 120.51 118.03 2c50 n ALA 80 Ca 0.18 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.79 2c50 n ALA 80 Cb 0.56 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.73 2c50 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c50 h ALA 81 N 2.22 0.63 -0.31 0.00 0.00 -1.54 -3.36 119.26 116.89 2c50 h ALA 81 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2c50 h ALA 81 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2c50 h ALA 81 CO 0.00 0.19 0.01 0.91 0.00 0.00 0.00 179.25 180.35 2c50 n TRP 82 N -2.83 1.09 -3.73 0.00 7.02 -0.84 -4.91 117.44 113.24 2c50 n TRP 82 Ca -0.01 -1.00 -0.13 0.00 -1.02 0.00 0.00 57.50 55.34 2c50 n TRP 82 Cb 0.60 -0.37 -0.10 0.00 -2.42 0.00 0.00 31.31 29.03 2c50 n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2c50 s ARG 83 N -2.90 0.55 0.04 -0.99 0.52 -1.22 -1.74 118.95 113.21 2c50 s ARG 83 Ca 0.44 0.34 0.05 0.00 -0.52 0.00 0.00 55.73 56.04 2c50 s ARG 83 Cb 0.36 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 36.05 2c50 s ARG 83 CO 0.08 -0.10 -0.09 -1.12 0.02 0.00 0.00 175.30 174.09 2c50 s SER 84 N -0.27 4.48 -0.11 0.23 0.01 0.05 -4.92 113.70 113.16 2c50 s SER 84 Ca -0.04 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 56.98 2c50 s SER 84 Cb -0.03 -0.96 0.01 0.00 0.21 0.00 0.00 66.02 65.25 2c50 s SER 84 CO 0.02 0.24 -0.17 -0.31 0.41 0.00 0.00 173.24 173.44 2c50 s TYR 85 N -1.07 2.11 -0.09 2.43 1.51 -1.26 -1.61 117.35 119.36 2c50 s TYR 85 Ca 0.19 -1.01 -0.04 0.00 -1.01 0.00 0.00 57.07 55.20 2c50 s TYR 85 Cb -0.11 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 2c50 s TYR 85 CO 0.10 -0.50 0.06 -1.17 -1.11 0.00 0.00 175.55 172.93 2c50 s LEU 86 N 0.94 3.93 -0.23 -1.29 2.96 0.56 -4.98 118.68 120.57 2c50 s LEU 86 Ca -0.07 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2c50 s LEU 86 Cb -0.15 -1.97 0.08 0.00 0.50 0.00 0.00 46.19 44.65 2c50 s LEU 86 CO -0.01 0.38 0.11 0.21 -1.32 0.00 0.00 176.35 175.71 2c50 s ASN 87 N -1.05 2.87 -0.08 3.68 3.84 -1.26 -1.74 114.94 121.19 2c50 s ASN 87 Ca 0.15 -0.91 -0.00 0.00 0.21 0.00 0.00 52.86 52.31 2c50 s ASN 87 Cb -0.12 -0.28 -0.03 0.00 -0.55 0.00 0.00 41.25 40.28 2c50 s ASN 87 CO 0.04 -0.39 -0.05 -0.04 -2.79 0.00 0.00 177.10 173.87 2c50 s MET 88 N 2.13 2.89 -0.14 0.43 -1.94 0.78 -5.01 119.30 118.44 2c50 s MET 88 Ca 0.05 -0.52 -0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2c50 s MET 88 Cb -0.16 -2.66 0.03 0.00 2.01 0.00 0.00 34.83 34.06 2c50 s MET 88 CO -0.22 0.62 -0.05 -1.21 -0.01 0.00 0.00 175.02 174.15 2c50 s GLU 89 N -0.68 1.32 -0.28 2.03 2.02 -1.26 -0.91 118.70 120.94 2c50 s GLU 89 Ca 0.10 -0.34 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 2c50 s GLU 89 Cb -0.11 -1.74 0.02 0.00 0.10 0.00 0.00 34.13 32.39 2c50 s GLU 89 CO 0.02 -0.37 0.03 -1.17 0.02 0.00 0.00 175.26 173.79 2c50 s LEU 90 N 1.71 3.66 -0.25 1.80 2.96 0.26 -4.97 118.68 123.86 2c50 s LEU 90 Ca 0.03 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.05 2c50 s LEU 90 Cb -0.14 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 2c50 s LEU 90 CO -0.08 -0.18 0.14 -0.89 -1.32 0.00 0.00 176.35 174.03 2c50 s THR 91 N 1.43 5.13 -0.16 3.68 2.01 -1.26 -0.60 115.64 125.87 2c50 s THR 91 Ca 0.01 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 2c50 s THR 91 Cb -0.17 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 68.97 2c50 s THR 91 CO 0.00 0.33 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.55 2c50 s ILE 92 N 1.25 1.28 0.38 1.82 1.01 -0.54 -4.98 121.20 121.41 2c50 s ILE 92 Ca 0.07 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 59.80 2c50 s ILE 92 Cb -0.14 -1.37 -0.11 0.00 0.01 0.00 0.00 42.46 40.84 2c50 s ILE 92 CO 0.06 0.22 1.10 -2.65 0.00 0.00 0.00 174.94 173.67 2c50 n PRO 93 N 4.83 1.59 0.00 2.79 -0.02 -1.26 -2.01 135.00 140.92 2c50 n PRO 93 Ca -0.13 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2c50 n PRO 93 Cb 0.48 -2.11 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.16 1.12 1.06 4.25 -5.35 0.28 -1.84 119.36 118.72 2c50 n ILE 94 Ca 0.08 0.28 0.12 0.00 -0.27 0.00 0.00 62.75 62.96 2c50 n ILE 94 Cb 0.37 -1.27 0.31 0.00 -1.74 0.00 0.00 39.64 37.31 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 -1.28 0.00 -2.08 4.28 3.72 -1.26 -4.91 117.46 115.93 2c50 n PHE 95 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2c50 n PHE 95 Cb 0.00 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 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 -2.90 3.64 0.61 4.37 0.00 -0.77 -5.02 121.76 121.69 2c50 s ALA 96 Ca 0.14 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2c50 s ALA 96 Cb 0.18 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.81 2c50 s ALA 96 CO 0.65 -0.68 0.85 0.95 0.00 0.00 0.00 175.76 177.53 2c50 s THR 97 N 0.69 2.45 0.42 0.00 -4.23 -1.26 -4.86 115.64 108.83 2c50 s THR 97 Ca 0.63 -0.68 0.15 0.00 -1.18 0.00 0.00 61.69 60.61 2c50 s THR 97 Cb -0.40 -2.76 0.35 0.00 1.34 0.00 0.00 72.50 71.03 2c50 s THR 97 CO 0.35 0.00 1.91 0.78 -0.54 0.00 0.00 174.62 177.12 2c50 h ASN 98 N -0.11 0.43 0.36 3.99 4.21 -1.98 0.18 115.58 122.66 2c50 h ASN 98 Ca -0.39 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.13 2c50 h ASN 98 Cb 1.29 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2c50 h ASN 98 CO 0.47 0.22 -0.18 0.28 -1.29 0.00 0.00 177.43 176.93 2c50 h SER 99 N 0.46 -0.41 -1.00 5.81 0.02 -1.99 -1.16 113.55 115.27 2c50 h SER 99 Ca 0.38 -0.14 0.21 0.00 -0.84 0.00 0.00 61.79 61.40 2c50 h SER 99 Cb 0.84 0.11 -0.10 0.00 0.14 0.00 0.00 62.40 63.39 2c50 h SER 99 CO -0.13 -0.05 0.62 0.44 -1.14 0.00 0.00 176.83 176.57 2c50 h ASP 100 N -0.83 0.68 0.55 3.07 3.32 -1.67 0.56 116.42 122.10 2c50 h ASP 100 Ca -0.05 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2c50 h ASP 100 Cb 0.53 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2c50 h ASP 100 CO 0.08 0.22 -0.53 0.00 -1.72 0.00 0.00 179.24 177.29 2c50 h GLU 102 N 0.00 0.23 -0.37 0.00 5.08 0.38 -2.37 114.58 117.53 2c50 h GLU 102 Ca -0.01 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 2c50 h GLU 102 Cb 0.94 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2c50 h GLU 102 CO 0.07 0.69 -0.30 1.25 -1.00 0.00 0.00 179.01 179.72 2c50 h LEU 103 N 0.18 0.83 -0.73 1.33 5.85 -1.05 -1.60 115.31 120.12 2c50 h LEU 103 Ca 0.00 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 2c50 h LEU 103 Cb 0.98 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2c50 h LEU 103 CO 0.08 1.07 0.14 0.40 -0.34 0.00 0.00 178.44 179.80 2c50 h ILE 104 N 0.68 1.26 -0.62 4.05 2.04 -1.25 -0.82 117.51 122.84 2c50 h ILE 104 Ca 0.08 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 2c50 h ILE 104 Cb 0.84 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2c50 h ILE 104 CO 0.07 0.38 0.05 0.58 0.00 0.00 0.00 178.15 179.23 2c50 h VAL 105 N 1.05 1.26 -0.55 1.67 2.07 -1.23 -2.06 116.25 118.47 2c50 h VAL 105 Ca 0.21 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 2c50 h VAL 105 Cb 0.40 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2c50 h VAL 105 CO 0.01 0.40 0.23 0.11 0.02 0.00 0.00 177.57 178.34 2c50 h LYS 106 N 0.96 0.78 -0.73 1.57 1.57 -0.82 -1.07 116.57 118.83 2c50 h LYS 106 Ca 0.18 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2c50 h LYS 106 Cb 0.50 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2c50 h LYS 106 CO 0.02 0.63 0.20 0.00 -0.57 0.00 0.00 179.45 179.73 2c50 h ALA 107 N 1.48 0.95 -0.26 3.86 0.00 -0.62 -0.94 119.26 123.73 2c50 h ALA 107 Ca 0.19 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2c50 h ALA 107 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2c50 h ALA 107 CO -0.02 0.66 -0.35 0.52 0.00 0.00 0.00 179.25 180.06 2c50 h MET 108 N 1.09 0.56 -0.38 0.00 2.86 -0.69 -1.92 114.93 116.46 2c50 h MET 108 Ca 0.23 -0.26 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 2c50 h MET 108 Cb 0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2c50 h MET 108 CO -0.00 0.84 -0.38 1.96 1.06 0.00 0.00 176.91 180.39 2c50 h GLN 109 N 0.48 0.90 -0.62 1.72 4.20 -0.93 -3.13 115.11 117.72 2c50 h GLN 109 Ca 0.05 -0.47 -0.07 0.00 0.06 0.00 0.00 58.65 58.23 2c50 h GLN 109 Cb 0.84 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 2c50 h GLN 109 CO 0.07 1.12 0.13 0.78 -0.67 0.00 0.00 178.83 180.26 2c50 h GLY 110 N 0.82 1.09 0.47 3.46 0.00 -1.05 -2.02 103.07 105.83 2c50 h GLY 110 Ca 0.06 -0.70 0.14 0.00 0.00 0.00 0.00 47.33 46.83 2c50 h GLY 110 CO 0.09 0.65 0.60 -2.00 0.00 0.00 0.00 176.54 175.88 2c50 h LEU 111 N 0.92 0.78 -2.80 3.11 5.85 -1.30 -2.84 115.31 119.04 2c50 h LEU 111 Ca 0.19 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2c50 h LEU 111 Cb 0.39 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2c50 h LEU 111 CO 0.01 0.39 0.00 0.18 -0.34 0.00 0.00 178.44 178.68 2c50 n LEU 112 N -4.60 3.48 -4.75 2.25 4.77 -1.05 -4.36 117.00 112.73 2c50 n LEU 112 Ca 0.19 -1.98 -0.37 0.00 -0.03 0.00 0.00 56.01 53.81 2c50 n LEU 112 Cb 0.43 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2c50 n LEU 112 CO 0.28 0.87 0.87 -0.75 -1.33 0.00 0.00 177.39 177.33 2c50 s LYS 113 N -1.01 3.05 0.42 3.23 2.20 -0.79 -4.84 119.74 122.00 2c50 s LYS 113 Ca 0.37 1.92 -0.26 0.00 -0.36 0.00 0.00 55.97 57.64 2c50 s LYS 113 Cb 0.19 -2.03 -0.10 0.00 -1.51 0.00 0.00 37.83 34.38 2c50 s LYS 113 CO 0.25 -1.17 1.27 -0.25 -0.36 0.00 0.00 175.35 175.09 2c50 n ASP 114 N -1.40 2.54 0.00 1.43 8.00 -1.26 -2.29 116.55 123.58 2c50 n ASP 114 Ca 0.13 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.74 2c50 n ASP 114 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 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 0.81 2.40 3.84 0.44 0.00 -1.26 -5.03 105.19 106.40 2c50 n GLY 115 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.98 6.70 0.12 1.61 0.01 -0.97 -4.88 114.94 114.54 2c50 s ASN 116 Ca 0.00 1.52 -0.23 0.00 -0.71 0.00 0.00 52.86 53.44 2c50 s ASN 116 Cb 0.00 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 39.12 2c50 s ASN 116 CO 0.00 -0.48 1.39 -2.65 -1.51 0.00 0.00 177.10 173.84 2c50 n PRO 117 N -1.24 -0.33 0.18 -0.60 -0.02 -1.26 -1.58 135.00 130.16 2c50 n PRO 117 Ca 0.06 1.36 -0.15 0.00 -2.02 0.00 0.00 63.50 62.76 2c50 n PRO 117 Cb 0.54 -2.01 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.28 -0.10 4.25 1.08 -1.95 -0.53 117.51 120.53 2c50 h ILE 118 Ca 0.12 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.54 2c50 h ILE 118 Cb 0.30 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 2c50 h ILE 118 CO -0.69 0.00 -0.15 1.55 -0.69 0.00 0.00 178.15 178.17 2c50 h PRO 119 N -0.67 0.16 -0.35 2.37 0.13 -1.74 -1.79 132.00 130.12 2c50 h PRO 119 Ca -0.00 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 2c50 h PRO 119 Cb 0.64 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2c50 h PRO 119 CO -0.12 0.31 -0.25 0.77 -0.23 0.00 0.00 178.00 178.48 2c50 h SER 120 N 0.15 0.71 -0.12 1.44 0.02 -0.98 -1.29 113.55 113.49 2c50 h SER 120 Ca 0.03 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2c50 h SER 120 Cb 0.36 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 2c50 h SER 120 CO 0.02 0.94 -0.02 0.00 -1.14 0.00 0.00 176.83 176.63 2c50 h ALA 121 N 1.11 0.17 -0.02 3.77 0.00 -0.60 -2.97 119.26 120.71 2c50 h ALA 121 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2c50 h ALA 121 Cb 0.75 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2c50 h ALA 121 CO 0.06 -0.10 -0.00 0.82 0.00 0.00 0.00 179.25 180.03 2c50 h ILE 122 N -0.08 0.98 0.00 0.00 2.04 -1.25 -0.51 117.51 118.70 2c50 h ILE 122 Ca 0.03 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2c50 h ILE 122 Cb 0.43 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2c50 h ILE 122 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 2c50 n ALA 123 N -2.12 1.21 -0.81 1.87 0.00 -0.49 -2.14 120.51 118.04 2c50 n ALA 123 Ca -0.07 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2c50 n ALA 123 Cb 0.04 -1.27 0.15 0.00 0.00 0.00 0.00 19.45 18.37 2c50 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c50 n ALA 124 N -1.71 2.41 -3.13 0.00 0.00 -1.02 -4.97 120.51 112.09 2c50 n ALA 124 Ca -0.00 -2.16 -0.23 0.00 0.00 0.00 0.00 53.44 51.05 2c50 n ALA 124 Cb 0.08 -0.42 0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.87 -5.60 -4.64 0.00 3.02 -0.91 -4.98 115.26 101.29 2c50 n ASN 125 Ca 0.15 -0.32 -0.30 0.00 -0.03 0.00 0.00 54.58 54.07 2c50 n ASN 125 Cb 0.63 -4.53 -0.09 0.00 -0.61 0.00 0.00 39.78 35.18 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 -2.73 3.83 0.00 6.41 0.01 -0.23 -5.05 113.70 115.93 2c50 s SER 126 Ca 0.34 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2c50 s SER 126 Cb -0.16 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2c50 s SER 126 CO 0.42 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2c50 n GLY 127 N -1.13 5.00 3.90 3.44 0.00 -1.26 -4.35 105.19 110.79 2c50 n GLY 127 Ca -0.14 -1.97 -0.32 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 1.71 5.26 0.00 -0.61 -1.09 -1.26 -4.82 121.20 120.39 2c50 s ILE 128 Ca 0.00 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2c50 s ILE 128 Cb 0.00 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2c50 s ILE 128 CO 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 174.94 173.89