#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6r n ALA 2 N 0.00 -2.59 -0.55 3.17 0.00 -1.26 -5.14 120.51 114.14 3h6r n ALA 2 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 53.44 52.52 3h6r n ALA 2 Cb 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 3h6r n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h6r n SER 3 N -1.22 -0.44 -4.71 0.00 2.88 -1.26 -4.67 113.62 104.20 3h6r n SER 3 Ca -0.01 0.06 -0.42 0.00 -1.33 0.00 0.00 58.87 57.17 3h6r n SER 3 Cb 0.54 -1.67 -0.03 0.00 -0.75 0.00 0.00 64.21 62.30 3h6r n SER 3 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3h6r s LEU 4 N -3.79 4.38 0.49 2.46 2.96 -1.26 -4.96 118.68 118.95 3h6r s LEU 4 Ca 0.00 2.72 -0.19 0.00 -0.22 0.00 0.00 54.13 56.43 3h6r s LEU 4 Cb 0.00 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3h6r s LEU 4 CO 0.00 -0.92 1.01 -1.61 -1.32 0.00 0.00 176.35 173.50 3h6r s GLU 5 N 1.67 3.89 0.60 1.98 2.02 -1.26 -4.86 118.70 122.74 3h6r s GLU 5 Ca 0.74 1.20 -0.20 0.00 0.02 0.00 0.00 54.97 56.74 3h6r s GLU 5 Cb -0.46 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 3h6r s GLU 5 CO 0.33 -0.33 1.33 -0.51 0.02 0.00 0.00 175.26 176.10 3h6r s ASP 6 N -2.32 4.93 0.00 -0.19 1.11 -1.26 -4.93 116.67 114.02 3h6r s ASP 6 Ca 0.64 2.71 0.00 0.00 0.18 0.00 0.00 52.55 56.08 3h6r s ASP 6 Cb -0.13 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.23 3h6r s ASP 6 CO 0.22 -1.79 0.00 0.61 1.18 0.00 0.00 175.17 175.39 3h6r n GLY 7 N 0.81 -1.17 3.53 0.21 0.00 -0.80 -5.00 105.19 102.78 3h6r n GLY 7 Ca 0.13 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3h6r n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h6r s THR 8 N -3.00 4.09 0.10 2.61 2.01 -1.26 -0.32 115.64 119.87 3h6r s THR 8 Ca 0.00 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.72 3h6r s THR 8 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3h6r s THR 8 CO 0.00 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.07 3h6r s TYR 9 N 0.30 0.82 0.01 4.92 1.51 0.60 -0.88 117.35 124.63 3h6r s TYR 9 Ca -0.02 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.07 3h6r s TYR 9 Cb -0.14 -0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 3h6r s TYR 9 CO 0.02 -0.24 0.01 1.03 -1.11 0.00 0.00 175.55 175.26 3h6r s ARG 10 N -3.88 2.77 -0.25 -0.62 0.52 -0.47 -0.32 118.95 116.70 3h6r s ARG 10 Ca 0.13 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 3h6r s ARG 10 Cb 0.06 -2.66 0.06 0.00 0.52 0.00 0.00 34.95 32.93 3h6r s ARG 10 CO -0.05 0.61 -0.10 -0.51 0.02 0.00 0.00 175.30 175.28 3h6r s LEU 11 N -1.68 3.15 -0.19 2.53 1.02 -1.26 -1.35 118.68 120.90 3h6r s LEU 11 Ca 0.21 -1.30 -0.09 0.00 0.02 0.00 0.00 54.13 52.96 3h6r s LEU 11 Cb -0.12 -1.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.61 3h6r s LEU 11 CO 0.12 -0.20 0.11 -0.60 0.02 0.00 0.00 176.35 175.80 3h6r s ARG 12 N 1.19 4.05 -0.21 1.70 3.52 -0.25 -1.08 118.95 127.88 3h6r s ARG 12 Ca -0.08 -0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 54.99 3h6r s ARG 12 Cb -0.19 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 3h6r s ARG 12 CO -0.06 0.34 1.55 0.00 -0.81 0.00 0.00 175.30 176.33 3h6r s ALA 13 N 0.22 3.34 0.00 6.12 0.00 0.15 -0.74 121.76 130.85 3h6r s ALA 13 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3h6r s ALA 13 Cb -0.11 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3h6r s ALA 13 CO -0.01 -1.83 0.00 1.33 0.00 0.00 0.00 175.76 175.25 3h6r n VAL 14 N 6.23 0.00 -4.15 0.00 0.24 0.10 -4.68 118.33 116.08 3h6r n VAL 14 Ca 0.18 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.38 3h6r n VAL 14 Cb 0.45 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.72 3h6r n VAL 14 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3h6r s THR 15 N -1.12 0.09 0.36 3.34 -4.23 -1.18 -1.48 115.64 111.42 3h6r s THR 15 Ca 0.00 -1.90 0.13 0.00 -1.18 0.00 0.00 61.69 58.75 3h6r s THR 15 Cb 0.00 -2.08 0.10 0.00 1.34 0.00 0.00 72.50 71.85 3h6r s THR 15 CO 0.00 -0.41 1.82 0.71 -0.54 0.00 0.00 174.62 176.20 3h6r h THR 16 N 2.82 1.23 0.00 3.99 1.35 -1.30 -1.28 112.91 119.73 3h6r h THR 16 Ca -0.35 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3h6r h THR 16 Cb 1.21 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3h6r h THR 16 CO 0.58 0.37 -0.50 0.45 -0.25 0.00 0.00 175.52 176.16 3h6r h HIS 17 N 0.00 0.00 -1.73 4.73 3.86 -1.93 -3.37 115.15 116.70 3h6r h HIS 17 Ca -0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.69 3h6r h HIS 17 Cb 0.68 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.80 3h6r h HIS 17 CO 0.00 0.00 -1.02 -1.71 0.86 0.00 0.00 177.93 176.06 3h6r n ASN 18 N -2.67 -0.28 0.27 2.45 5.15 -1.12 -4.95 115.26 114.10 3h6r n ASN 18 Ca 0.02 -2.77 0.16 0.00 -0.60 0.00 0.00 54.58 51.40 3h6r n ASN 18 Cb 0.51 -0.29 0.64 0.00 -0.53 0.00 0.00 39.78 40.11 3h6r n ASN 18 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3h6r h PRO 19 N 4.05 0.00 -2.83 1.20 0.11 -1.42 -3.11 132.00 130.01 3h6r h PRO 19 Ca 0.05 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.55 3h6r h PRO 19 Cb 0.90 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.61 3h6r h PRO 19 CO 0.44 0.04 -0.76 0.34 -0.21 0.00 0.00 178.00 177.84 3h6r s ASP 20 N -5.80 3.31 0.35 -2.05 3.68 -1.26 -4.79 116.67 110.11 3h6r s ASP 20 Ca 0.01 -3.06 0.15 0.00 2.13 0.00 0.00 52.55 51.78 3h6r s ASP 20 Cb 0.09 -1.00 0.63 0.00 -1.45 0.00 0.00 42.92 41.18 3h6r s ASP 20 CO 0.56 -0.19 1.74 -0.65 0.13 0.00 0.00 175.17 176.76 3h6r h PRO 21 N 6.09 0.00 0.00 4.34 0.11 -1.97 -3.49 132.00 137.07 3h6r h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3h6r h PRO 21 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3h6r h PRO 21 CO 0.51 0.44 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 3h6r n GLY 22 N -0.03 0.40 3.83 -0.55 0.00 -1.26 -5.05 105.19 102.54 3h6r n GLY 22 Ca -0.01 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 3h6r n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6r s VAL 23 N -0.25 4.28 0.00 1.61 0.11 -1.26 -4.51 120.40 120.39 3h6r s VAL 23 Ca 0.00 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 3h6r s VAL 23 Cb 0.00 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 3h6r s VAL 23 CO 0.00 -0.82 0.00 0.61 -3.33 0.00 0.00 175.10 171.56 3h6r n GLY 24 N -1.89 0.77 3.83 6.54 0.00 -1.26 -5.07 105.19 108.11 3h6r n GLY 24 Ca 0.07 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3h6r n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h6r s GLY 25 N -2.17 1.65 -0.11 -0.02 0.00 -1.26 -5.03 107.32 100.38 3h6r s GLY 25 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 3h6r s GLY 25 CO 0.00 0.26 -0.03 -0.54 0.00 0.00 0.00 173.10 172.79 3h6r s GLU 26 N -5.14 3.16 0.10 2.90 0.41 -1.26 -4.01 118.70 114.86 3h6r s GLU 26 Ca 0.58 -0.48 0.07 0.00 -0.41 0.00 0.00 54.97 54.74 3h6r s GLU 26 Cb -0.13 -2.79 -0.03 0.00 -1.78 0.00 0.00 34.13 29.39 3h6r s GLU 26 CO 0.54 0.54 -0.18 0.71 -0.49 0.00 0.00 175.26 176.38 3h6r s TYR 27 N -0.44 1.59 0.33 1.61 1.51 0.25 -0.67 117.35 121.53 3h6r s TYR 27 Ca 0.07 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 3h6r s TYR 27 Cb -0.12 -0.87 -0.11 0.00 -0.11 0.00 0.00 41.96 40.76 3h6r s TYR 27 CO 0.02 0.17 1.40 0.00 -1.11 0.00 0.00 175.55 176.03 3h6r s ALA 28 N -1.39 3.55 -0.04 3.71 0.00 -0.24 -1.20 121.76 126.15 3h6r s ALA 28 Ca 0.05 1.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 3h6r s ALA 28 Cb -0.09 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3h6r s ALA 28 CO 0.04 -0.81 0.07 0.99 0.00 0.00 0.00 175.76 176.05 3h6r s THR 29 N -0.92 -0.11 0.53 0.00 2.01 0.12 -4.43 115.64 112.83 3h6r s THR 29 Ca 0.52 0.36 -0.18 0.00 0.31 0.00 0.00 61.69 62.70 3h6r s THR 29 Cb -0.43 -0.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 3h6r s THR 29 CO 0.55 0.15 1.04 0.54 -0.69 0.00 0.00 174.62 176.21 3h6r s VAL 30 N 1.86 3.86 -0.30 3.82 0.11 -0.18 -1.30 120.40 128.27 3h6r s VAL 30 Ca 0.01 1.02 0.19 0.00 -2.93 0.00 0.00 61.98 60.26 3h6r s VAL 30 Cb -0.12 -3.44 0.47 0.00 -1.53 0.00 0.00 36.38 31.76 3h6r s VAL 30 CO -0.03 -0.38 1.18 1.21 -3.33 0.00 0.00 175.10 173.74 3h6r n GLU 31 N -1.45 1.50 0.00 1.54 4.07 -1.26 -4.87 120.64 120.17 3h6r n GLU 31 Ca 0.09 -2.89 0.00 0.00 -0.06 0.00 0.00 57.16 54.29 3h6r n GLU 31 Cb 0.53 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 3h6r n GLU 31 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h6r n GLY 32 N -0.68 2.33 3.65 8.31 0.00 -1.26 -4.67 105.19 112.87 3h6r n GLY 32 Ca 0.02 -1.76 -0.45 0.00 0.00 0.00 0.00 46.02 43.83 3h6r n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6r n ALA 33 N 1.67 0.70 -1.13 4.61 0.00 -1.26 -2.20 120.51 122.90 3h6r n ALA 33 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 3h6r n ALA 33 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 3h6r n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h6r n ARG 34 N 1.77 -1.88 -4.04 0.00 1.74 -0.37 -4.97 116.66 108.91 3h6r n ARG 34 Ca 0.11 0.66 -0.24 0.00 -0.77 0.00 0.00 57.85 57.62 3h6r n ARG 34 Cb 0.31 -5.13 -0.04 0.00 -1.02 0.00 0.00 32.46 26.58 3h6r n ARG 34 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3h6r s GLN 35 N -2.39 3.15 0.43 5.56 -0.21 -0.93 -4.76 119.66 120.51 3h6r s GLN 35 Ca 0.00 -0.84 -0.26 0.00 0.02 0.00 0.00 55.36 54.27 3h6r s GLN 35 Cb 0.00 -2.75 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 3h6r s GLN 35 CO 0.00 0.45 1.46 -2.14 -2.12 0.00 0.00 175.29 172.94 3h6r s PRO 36 N -3.57 3.82 0.26 2.91 0.02 -1.26 -1.60 135.00 135.58 3h6r s PRO 36 Ca 0.33 2.50 -0.28 0.00 0.02 0.00 0.00 61.00 63.57 3h6r s PRO 36 Cb -0.09 -2.76 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 3h6r s PRO 36 CO 0.26 -0.74 0.91 0.08 -0.33 0.00 0.00 177.00 177.19 3h6r s VAL 37 N -1.17 4.17 0.43 3.83 1.01 -0.26 -4.38 120.40 124.03 3h6r s VAL 37 Ca 0.58 1.92 0.06 0.00 0.00 0.00 0.00 61.98 64.55 3h6r s VAL 37 Cb -0.45 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 3h6r s VAL 37 CO 0.60 0.37 0.14 -0.54 0.00 0.00 0.00 175.10 175.67 3h6r s LYS 38 N -1.49 2.16 -0.31 2.72 1.02 -0.42 -1.64 119.74 121.78 3h6r s LYS 38 Ca 0.43 -1.98 -0.04 0.00 0.02 0.00 0.00 55.97 54.41 3h6r s LYS 38 Cb -0.23 -1.86 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3h6r s LYS 38 CO 0.28 -0.16 0.04 0.00 -0.92 0.00 0.00 175.35 174.59 3h6r s ALA 39 N -2.67 2.91 0.08 5.17 0.00 -0.27 0.12 121.76 127.10 3h6r s ALA 39 Ca 0.36 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.66 3h6r s ALA 39 Cb 0.05 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3h6r s ALA 39 CO 0.19 -1.19 -0.07 -1.21 0.00 0.00 0.00 175.76 173.49 3h6r s GLU 40 N 1.34 0.74 0.68 0.00 0.41 -0.34 -4.66 118.70 116.87 3h6r s GLU 40 Ca -0.02 -1.17 -0.15 0.00 -0.41 0.00 0.00 54.97 53.22 3h6r s GLU 40 Cb -0.19 -0.21 0.01 0.00 -1.78 0.00 0.00 34.13 31.96 3h6r s GLU 40 CO 0.00 -0.00 1.12 -1.25 -0.49 0.00 0.00 175.26 174.64 3h6r s PRO 41 N -3.23 2.65 -1.24 0.39 0.04 -1.26 -0.58 135.00 131.77 3h6r s PRO 41 Ca 0.06 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 3h6r s PRO 41 Cb 0.01 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 3h6r s PRO 41 CO -0.04 -1.38 1.86 0.45 0.04 0.00 0.00 177.00 177.94 3h6r n SER 42 N -2.54 4.04 -4.43 6.66 2.88 -1.26 -4.77 113.62 114.20 3h6r n SER 42 Ca 0.11 -2.82 -0.21 0.00 -1.33 0.00 0.00 58.87 54.62 3h6r n SER 42 Cb 0.52 -1.70 -0.10 0.00 -0.75 0.00 0.00 64.21 62.17 3h6r n SER 42 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3h6r s THR 43 N 6.69 1.42 0.16 2.46 -4.23 -1.26 -4.93 115.64 115.95 3h6r s THR 43 Ca 0.59 -2.06 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 3h6r s THR 43 Cb 0.04 -2.56 0.11 0.00 1.34 0.00 0.00 72.50 71.42 3h6r s THR 43 CO 0.09 -0.20 1.22 -0.81 -0.54 0.00 0.00 174.62 174.39 3h6r n PRO 44 N -0.61 -0.24 0.00 3.99 -0.04 -1.26 -0.14 135.00 136.71 3h6r n PRO 44 Ca -0.04 1.21 0.08 0.00 -0.04 0.00 0.00 63.50 64.71 3h6r n PRO 44 Cb 0.65 -1.79 0.43 0.00 -0.04 0.00 0.00 33.50 32.75 3h6r n PRO 44 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3h6r n PRO 45 N -5.11 0.35 0.00 0.54 -0.04 -1.26 -3.92 135.00 125.56 3h6r n PRO 45 Ca 0.06 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3h6r n PRO 45 Cb 0.28 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3h6r n PRO 45 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3h6r n PHE 46 N -1.16 0.00 -0.33 0.54 3.72 0.81 -4.88 117.46 116.17 3h6r n PHE 46 Ca 0.09 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.68 3h6r n PHE 46 Cb 0.09 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.02 3h6r n PHE 46 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3h6r h SER 47 N 0.00 0.44 1.00 4.37 4.64 -1.54 0.68 113.55 123.13 3h6r h SER 47 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3h6r h SER 47 Cb 0.37 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3h6r h SER 47 CO 0.00 -0.04 0.00 1.05 -0.87 0.00 0.00 176.83 176.97 3h6r h GLU 48 N 0.40 0.00 -0.55 4.77 -0.00 -1.89 -1.89 114.58 115.41 3h6r h GLU 48 Ca 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 60.00 3h6r h GLU 48 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.08 3h6r h GLU 48 CO -0.56 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 179.49 3h6r n GLN 49 N -3.09 2.29 -0.16 1.06 3.00 0.22 -4.26 117.38 116.44 3h6r n GLN 49 Ca 0.01 -2.00 0.05 0.00 -0.01 0.00 0.00 57.00 55.04 3h6r n GLN 49 Cb 0.30 -1.44 0.13 0.00 0.00 0.00 0.00 30.24 29.23 3h6r n GLN 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3h6r n GLN 50 N 1.13 2.78 -4.41 -1.09 6.02 -0.71 -1.01 117.38 120.09 3h6r n GLN 50 Ca 0.19 -2.07 -0.34 0.00 -0.01 0.00 0.00 57.00 54.76 3h6r n GLN 50 Cb 0.47 -1.31 -0.11 0.00 1.02 0.00 0.00 30.24 30.31 3h6r n GLN 50 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3h6r s ILE 51 N -1.46 4.03 -0.01 5.09 -4.36 -1.26 -4.32 121.20 118.91 3h6r s ILE 51 Ca 0.21 -0.33 0.04 0.00 -0.26 0.00 0.00 60.65 60.31 3h6r s ILE 51 Cb 0.14 -2.73 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 3h6r s ILE 51 CO 0.09 0.54 -0.12 0.26 0.24 0.00 0.00 174.94 175.95 3h6r s TRP 52 N -0.17 1.13 -0.20 1.37 0.52 0.56 -2.79 118.94 119.37 3h6r s TRP 52 Ca 0.04 -0.22 -0.21 0.00 0.02 0.00 0.00 56.10 55.73 3h6r s TRP 52 Cb -0.13 -0.73 -0.02 0.00 -1.15 0.00 0.00 33.47 31.43 3h6r s TRP 52 CO 0.02 -0.03 0.64 -1.14 0.02 0.00 0.00 176.95 176.46 3h6r s GLN 53 N -0.25 4.21 -0.12 4.98 2.00 0.12 -0.29 119.66 130.31 3h6r s GLN 53 Ca 0.04 0.63 -0.00 0.00 -2.00 0.00 0.00 55.36 54.02 3h6r s GLN 53 Cb -0.05 -3.58 -0.02 0.00 0.80 0.00 0.00 33.01 30.15 3h6r s GLN 53 CO -0.00 -0.26 -0.10 0.08 -0.50 0.00 0.00 175.29 174.51 3h6r s VAL 54 N 1.97 3.32 -0.01 1.34 1.01 0.56 -0.33 120.40 128.26 3h6r s VAL 54 Ca 0.29 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3h6r s VAL 54 Cb -0.16 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3h6r s VAL 54 CO 0.10 0.53 0.03 0.42 0.00 0.00 0.00 175.10 176.18 3h6r s THR 55 N 0.08 -0.02 -0.15 3.92 -4.23 -0.93 -1.90 115.64 112.41 3h6r s THR 55 Ca -0.04 0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.43 3h6r s THR 55 Cb -0.14 -0.06 -0.05 0.00 1.34 0.00 0.00 72.50 73.59 3h6r s THR 55 CO 0.04 0.03 0.27 -0.60 -0.54 0.00 0.00 174.62 173.83 3h6r s ARG 56 N 0.43 4.15 0.63 3.99 3.52 -1.26 -1.69 118.95 128.71 3h6r s ARG 56 Ca -0.04 0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 3h6r s ARG 56 Cb -0.05 -3.39 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 3h6r s ARG 56 CO -0.01 0.33 0.91 -0.80 -0.81 0.00 0.00 175.30 174.92 3h6r s ASN 57 N 0.19 5.15 0.57 -2.12 0.01 0.73 -4.94 114.94 114.54 3h6r s ASN 57 Ca 0.16 0.38 0.39 0.00 -0.71 0.00 0.00 52.86 53.07 3h6r s ASN 57 Cb -0.13 -1.19 2.07 0.00 0.41 0.00 0.00 41.25 42.41 3h6r s ASN 57 CO 0.04 -1.32 2.18 0.77 -1.51 0.00 0.00 177.10 177.26 3h6r h SER 58 N -0.28 0.00 0.33 -1.22 4.64 -1.98 -1.95 113.55 113.09 3h6r h SER 58 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3h6r h SER 58 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3h6r h SER 58 CO 0.58 0.00 -0.05 -0.78 -0.87 0.00 0.00 176.83 175.71 3h6r h ASP 59 N 0.00 0.00 0.00 4.97 -0.00 -2.03 -3.46 116.42 115.90 3h6r h ASP 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3h6r h ASP 59 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.36 3h6r h ASP 59 CO 0.00 0.05 0.00 0.61 -0.00 0.00 0.00 179.24 179.90 3h6r n GLY 60 N -0.75 0.98 3.97 -0.78 0.00 -0.73 -5.05 105.19 102.83 3h6r n GLY 60 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3h6r n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h6r s GLN 61 N -0.56 3.30 0.10 1.61 -0.21 -1.26 -4.82 119.66 117.81 3h6r s GLN 61 Ca 0.00 -0.73 0.08 0.00 0.02 0.00 0.00 55.36 54.73 3h6r s GLN 61 Cb 0.00 -2.79 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 3h6r s GLN 61 CO 0.00 0.17 -0.22 0.71 -2.12 0.00 0.00 175.29 173.84 3h6r s TYR 62 N -2.17 1.85 0.15 0.91 1.51 0.12 -0.19 117.35 119.53 3h6r s TYR 62 Ca 0.40 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 56.09 3h6r s TYR 62 Cb -0.09 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3h6r s TYR 62 CO 0.32 0.21 0.19 0.95 -1.11 0.00 0.00 175.55 176.11 3h6r s THR 63 N -1.12 4.81 -0.29 -0.71 -4.23 -0.68 -0.30 115.64 113.13 3h6r s THR 63 Ca 0.07 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 3h6r s THR 63 Cb -0.10 -3.45 0.09 0.00 1.34 0.00 0.00 72.50 70.38 3h6r s THR 63 CO 0.04 -0.07 0.07 -0.63 -0.54 0.00 0.00 174.62 173.49 3h6r s ILE 64 N -1.71 1.01 0.08 2.99 1.01 -1.26 -2.18 121.20 121.15 3h6r s ILE 64 Ca 0.32 -1.34 0.07 0.00 0.00 0.00 0.00 60.65 59.70 3h6r s ILE 64 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3h6r s ILE 64 CO 0.25 -0.54 -0.12 -0.54 0.00 0.00 0.00 174.94 173.98 3h6r s LYS 65 N 1.57 2.11 -0.08 2.79 1.02 0.55 -0.78 119.74 126.92 3h6r s LYS 65 Ca 0.07 -1.01 -0.29 0.00 0.02 0.00 0.00 55.97 54.76 3h6r s LYS 65 Cb -0.18 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 3h6r s LYS 65 CO -0.19 0.52 0.98 -0.47 -0.92 0.00 0.00 175.35 175.26 3h6r s TYR 66 N -1.13 3.55 -0.36 3.18 6.14 0.29 0.13 117.35 129.16 3h6r s TYR 66 Ca 0.19 1.59 -0.16 0.00 0.64 0.00 0.00 57.07 59.33 3h6r s TYR 66 Cb -0.11 -3.15 0.02 0.00 0.42 0.00 0.00 41.96 39.15 3h6r s TYR 66 CO 0.11 -0.16 0.42 0.94 0.64 0.00 0.00 175.55 177.50 3h6r n GLN 67 N 4.68 -2.30 0.00 4.97 -0.06 -1.12 -4.51 117.38 119.04 3h6r n GLN 67 Ca 0.07 1.97 0.00 0.00 -2.00 0.00 0.00 57.00 57.04 3h6r n GLN 67 Cb 0.49 -4.26 0.00 0.00 -4.06 0.00 0.00 30.24 22.41 3h6r n GLN 67 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3h6r n GLY 68 N 0.12 0.48 0.00 1.69 0.00 -1.26 -4.77 105.19 101.45 3h6r n GLY 68 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3h6r n GLY 68 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3h6r n LEU 69 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.79 117.00 111.94 3h6r n LEU 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3h6r n LEU 69 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3h6r n LEU 69 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 177.39 174.19 3h6r n ASN 70 N 0.42 0.00 -2.69 1.45 5.15 -1.26 -5.08 115.26 113.25 3h6r n ASN 70 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 3h6r n ASN 70 Cb 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.32 3h6r n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h6r n ALA 71 N -0.75 -0.65 -0.07 5.20 0.00 -1.26 -4.94 120.51 118.05 3h6r n ALA 71 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 3h6r n ALA 71 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 3h6r n ALA 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3h6r h PRO 72 N 0.00 0.35 -5.99 0.00 0.11 -2.05 -3.43 132.00 120.99 3h6r h PRO 72 Ca -0.15 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.35 3h6r h PRO 72 Cb 0.41 -0.07 -0.27 0.00 0.11 0.00 0.00 31.00 31.19 3h6r h PRO 72 CO 0.10 0.32 -0.84 -0.06 -0.21 0.00 0.00 178.00 177.31 3h6r s PHE 73 N -5.85 1.77 -0.03 0.65 0.40 -1.26 -5.11 117.98 108.54 3h6r s PHE 73 Ca -0.13 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.55 3h6r s PHE 73 Cb 0.08 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 3h6r s PHE 73 CO 0.71 0.05 0.93 -1.21 0.70 0.00 0.00 175.22 176.40 3h6r s GLU 74 N -0.96 4.51 0.06 0.44 2.02 -1.26 -4.96 118.70 118.54 3h6r s GLU 74 Ca 0.07 1.30 0.08 0.00 0.02 0.00 0.00 54.97 56.45 3h6r s GLU 74 Cb -0.08 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 3h6r s GLU 74 CO 0.01 -0.08 -0.21 0.71 0.02 0.00 0.00 175.26 175.71 3h6r s TYR 75 N 1.17 2.48 0.17 1.61 1.51 -1.26 -4.50 117.35 118.53 3h6r s TYR 75 Ca 0.48 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 56.13 3h6r s TYR 75 Cb -0.20 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.28 3h6r s TYR 75 CO 0.24 0.26 0.56 0.41 -1.11 0.00 0.00 175.55 175.90 3h6r n GLY 76 N 1.42 1.11 3.62 0.71 0.00 0.19 -0.54 105.19 111.70 3h6r n GLY 76 Ca -0.16 -1.11 -0.49 0.00 0.00 0.00 0.00 46.02 44.26 3h6r n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h6r n PHE 77 N -0.38 1.76 -3.86 1.61 0.99 0.04 -0.70 117.46 116.91 3h6r n PHE 77 Ca -0.03 0.52 -0.11 0.00 -0.00 0.00 0.00 57.45 57.83 3h6r n PHE 77 Cb 0.36 -2.40 0.00 0.00 -1.00 0.00 0.00 39.48 36.44 3h6r n PHE 77 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3h6r n SER 78 N 2.70 -1.78 -3.73 4.37 2.88 0.19 -1.42 113.62 116.83 3h6r n SER 78 Ca 0.17 -2.62 -0.14 0.00 -1.33 0.00 0.00 58.87 54.95 3h6r n SER 78 Cb 0.23 3.07 -0.09 0.00 -0.75 0.00 0.00 64.21 66.68 3h6r n SER 78 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3h6r s TYR 79 N -2.81 -0.31 -0.02 0.66 1.13 -1.26 -1.64 117.35 113.11 3h6r s TYR 79 Ca 0.20 0.60 -0.00 0.00 -1.41 0.00 0.00 57.07 56.46 3h6r s TYR 79 Cb -0.03 0.14 -0.00 0.00 -1.10 0.00 0.00 41.96 40.97 3h6r s TYR 79 CO 0.15 -0.35 -0.01 -0.44 -2.51 0.00 0.00 175.55 172.39 3h6r h ASP 80 N 4.33 0.00 -3.36 -0.18 3.32 -1.96 -3.46 116.42 115.11 3h6r h ASP 80 Ca -0.28 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.09 3h6r h ASP 80 Cb 1.18 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 3h6r h ASP 80 CO 0.35 0.09 -0.84 -1.58 -1.72 0.00 0.00 179.24 175.54 3h6r s GLN 81 N -1.11 3.15 -0.73 3.56 0.74 -1.26 -5.08 119.66 118.93 3h6r s GLN 81 Ca -0.00 -0.81 -0.25 0.00 0.05 0.00 0.00 55.36 54.34 3h6r s GLN 81 Cb 0.00 -2.41 0.05 0.00 1.10 0.00 0.00 33.01 31.75 3h6r s GLN 81 CO 0.01 0.20 1.17 -1.17 -0.55 0.00 0.00 175.29 174.95 3h6r s LEU 82 N 0.32 3.69 0.12 3.68 2.96 -1.26 -4.88 118.68 123.31 3h6r s LEU 82 Ca -0.16 -0.75 0.02 0.00 -0.22 0.00 0.00 54.13 53.02 3h6r s LEU 82 Cb -0.17 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 3h6r s LEU 82 CO 0.08 -1.65 -0.04 -1.61 -1.32 0.00 0.00 176.35 171.80 3h6r s GLU 83 N 4.99 0.91 0.27 1.98 2.02 -1.26 -5.07 118.70 122.54 3h6r s GLU 83 Ca 0.31 -1.39 -0.31 0.00 0.02 0.00 0.00 54.97 53.60 3h6r s GLU 83 Cb -0.11 -0.20 -0.12 0.00 0.10 0.00 0.00 34.13 33.80 3h6r s GLU 83 CO 0.11 -0.06 1.56 -2.30 0.02 0.00 0.00 175.26 174.59 3h6r n PRO 84 N -0.10 2.52 -0.98 0.39 -0.02 -1.26 -1.37 135.00 134.18 3h6r n PRO 84 Ca -0.10 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3h6r n PRO 84 Cb 0.62 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3h6r n PRO 84 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3h6r n ASN 85 N 2.38 -5.34 -4.77 2.55 3.02 0.33 -4.99 115.26 108.44 3h6r n ASN 85 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 3h6r n ASN 85 Cb 0.35 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 3h6r n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h6r s ALA 86 N -1.13 2.98 0.49 5.41 0.00 -0.47 -4.63 121.76 124.41 3h6r s ALA 86 Ca 0.00 1.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 3h6r s ALA 86 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3h6r s ALA 86 CO 0.00 -0.82 1.00 -1.25 0.00 0.00 0.00 175.76 174.70 3h6r s PRO 87 N -2.66 3.90 -0.06 0.00 0.04 -1.26 -0.83 135.00 134.13 3h6r s PRO 87 Ca 0.64 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 3h6r s PRO 87 Cb -0.32 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3h6r s PRO 87 CO 0.39 -0.32 0.94 0.08 0.04 0.00 0.00 177.00 178.13 3h6r s VAL 88 N -2.20 4.86 0.16 -0.36 1.01 -0.46 -4.76 120.40 118.65 3h6r s VAL 88 Ca 0.64 1.93 0.10 0.00 0.00 0.00 0.00 61.98 64.65 3h6r s VAL 88 Cb -0.13 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3h6r s VAL 88 CO 0.21 0.10 -0.20 0.27 0.00 0.00 0.00 175.10 175.49 3h6r s ILE 89 N 1.46 2.66 -0.67 2.22 -4.36 -0.65 -1.11 121.20 120.74 3h6r s ILE 89 Ca 0.47 -1.75 -0.27 0.00 -0.26 0.00 0.00 60.65 58.84 3h6r s ILE 89 Cb -0.19 -2.25 0.01 0.00 1.25 0.00 0.00 42.46 41.28 3h6r s ILE 89 CO 0.22 -0.02 1.50 0.00 0.24 0.00 0.00 174.94 176.88 3h6r s ALA 90 N -1.42 2.56 0.00 2.27 0.00 -0.63 -0.64 121.76 123.91 3h6r s ALA 90 Ca 0.20 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3h6r s ALA 90 Cb -0.09 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.78 3h6r s ALA 90 CO 0.10 -3.44 0.00 0.41 0.00 0.00 0.00 175.76 172.83 3h6r n GLY 91 N 5.47 4.26 3.68 0.00 0.00 0.12 -1.23 105.19 117.49 3h6r n GLY 91 Ca 0.10 -1.26 -0.49 0.00 0.00 0.00 0.00 46.02 44.37 3h6r n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h6r n ASP 92 N -0.49 3.15 -4.68 1.61 9.92 -1.26 -0.64 116.55 124.17 3h6r n ASP 92 Ca 0.00 1.01 -0.47 0.00 -0.53 0.00 0.00 54.79 54.81 3h6r n ASP 92 Cb 0.00 -1.34 -0.04 0.00 -0.64 0.00 0.00 41.12 39.10 3h6r n ASP 92 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3h6r n PRO 93 N 5.70 2.25 -2.68 -0.24 -0.02 -1.26 -4.62 135.00 134.12 3h6r n PRO 93 Ca 0.22 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.28 3h6r n PRO 93 Cb 0.26 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.12 3h6r n PRO 93 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h6r s LYS 94 N 2.94 2.93 -0.00 -0.52 -0.14 -0.50 -5.02 119.74 119.42 3h6r s LYS 94 Ca 0.87 -0.31 -0.11 0.00 -1.36 0.00 0.00 55.97 55.06 3h6r s LYS 94 Cb -0.66 -2.42 -0.05 0.00 -1.68 0.00 0.00 37.83 33.02 3h6r s LYS 94 CO 0.46 -0.52 0.33 -2.00 -0.76 0.00 0.00 175.35 172.85 3h6r s GLU 95 N -4.78 3.72 0.10 1.68 2.56 -1.26 -4.35 118.70 116.38 3h6r s GLU 95 Ca 0.52 0.16 0.03 0.00 0.00 0.00 0.00 54.97 55.67 3h6r s GLU 95 Cb -0.10 -3.13 -0.04 0.00 2.00 0.00 0.00 34.13 32.85 3h6r s GLU 95 CO 0.41 0.67 -0.08 0.71 -0.56 0.00 0.00 175.26 176.41 3h6r s TYR 96 N -1.19 0.96 -0.21 5.30 2.02 0.59 -4.61 117.35 120.22 3h6r s TYR 96 Ca 0.25 -0.79 -0.11 0.00 -0.37 0.00 0.00 57.07 56.05 3h6r s TYR 96 Cb -0.14 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.83 3h6r s TYR 96 CO 0.13 -0.07 0.18 0.42 -1.57 0.00 0.00 175.55 174.63 3h6r s ILE 97 N -3.10 5.37 -0.26 2.71 1.01 -0.27 -0.70 121.20 125.95 3h6r s ILE 97 Ca 0.09 0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.91 3h6r s ILE 97 Cb 0.02 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3h6r s ILE 97 CO -0.02 0.39 0.12 -0.76 0.00 0.00 0.00 174.94 174.67 3h6r s LEU 98 N 0.68 3.73 -0.26 2.97 1.43 -1.26 -0.73 118.68 125.24 3h6r s LEU 98 Ca 0.10 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3h6r s LEU 98 Cb -0.12 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3h6r s LEU 98 CO 0.02 -0.03 -0.03 -1.58 0.23 0.00 0.00 176.35 174.95 3h6r s GLN 99 N 1.61 2.91 0.17 1.70 0.74 -0.19 -4.92 119.66 121.69 3h6r s GLN 99 Ca 0.07 -0.94 -0.32 0.00 0.05 0.00 0.00 55.36 54.22 3h6r s GLN 99 Cb -0.15 -3.06 -0.10 0.00 1.10 0.00 0.00 33.01 30.79 3h6r s GLN 99 CO 0.07 -0.40 1.59 -1.17 -0.55 0.00 0.00 175.29 174.83 3h6r s LEU 100 N 1.37 4.37 -0.10 3.68 2.96 -1.26 -0.92 118.68 128.78 3h6r s LEU 100 Ca 0.01 2.66 -0.26 0.00 -0.22 0.00 0.00 54.13 56.32 3h6r s LEU 100 Cb -0.17 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 3h6r s LEU 100 CO -0.03 -0.85 0.86 -0.69 -1.32 0.00 0.00 176.35 174.32 3h6r s VAL 101 N 1.12 4.90 0.23 1.68 1.01 0.15 -4.92 120.40 124.58 3h6r s VAL 101 Ca 0.71 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 64.13 3h6r s VAL 101 Cb -0.45 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 31.60 3h6r s VAL 101 CO 0.32 0.11 0.96 -2.65 0.00 0.00 0.00 175.10 173.83 3h6r n PRO 102 N 4.55 1.00 -0.41 2.72 -0.02 -1.26 -1.60 135.00 139.98 3h6r n PRO 102 Ca 0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3h6r n PRO 102 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3h6r n PRO 102 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3h6r n SER 103 N 1.61 0.00 -4.50 2.55 3.41 -1.26 -5.05 113.62 110.38 3h6r n SER 103 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.46 3h6r n SER 103 Cb 0.28 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.12 3h6r n SER 103 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3h6r s THR 104 N -3.27 2.80 -0.80 6.66 -4.23 -0.63 -5.01 115.64 111.17 3h6r s THR 104 Ca 0.00 -1.72 0.22 0.00 -1.18 0.00 0.00 61.69 59.01 3h6r s THR 104 Cb 0.00 -2.34 -0.19 0.00 1.34 0.00 0.00 72.50 71.31 3h6r s THR 104 CO 0.00 -0.04 0.94 0.00 -0.54 0.00 0.00 174.62 174.98 3h6r n ALA 105 N 0.38 4.08 -1.56 3.99 0.00 -1.26 -4.71 120.51 121.42 3h6r n ALA 105 Ca -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3h6r n ALA 105 Cb 0.55 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3h6r n ALA 105 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h6r n ASP 106 N -1.69 0.00 -4.61 0.00 3.85 -1.26 -5.06 116.55 107.78 3h6r n ASP 106 Ca 0.03 -1.14 -0.34 0.00 -0.71 0.00 0.00 54.79 52.63 3h6r n ASP 106 Cb 0.38 -0.03 -0.10 0.00 -1.35 0.00 0.00 41.12 40.02 3h6r n ASP 106 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3h6r s VAL 107 N 0.00 4.50 -0.00 2.12 -7.23 -1.26 -1.00 120.40 117.53 3h6r s VAL 107 Ca 0.00 -0.14 0.03 0.00 -1.81 0.00 0.00 61.98 60.06 3h6r s VAL 107 Cb 0.00 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 3h6r s VAL 107 CO 0.00 0.49 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.87 3h6r s TYR 108 N 0.17 0.90 0.07 2.82 1.51 0.22 0.32 117.35 123.37 3h6r s TYR 108 Ca 0.02 -0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 3h6r s TYR 108 Cb -0.13 -0.58 -0.05 0.00 -0.11 0.00 0.00 41.96 41.10 3h6r s TYR 108 CO 0.01 -0.01 1.01 0.42 -1.11 0.00 0.00 175.55 175.87 3h6r s ILE 109 N -0.32 4.52 -0.48 2.71 1.01 -0.09 -0.37 121.20 128.17 3h6r s ILE 109 Ca 0.03 1.95 -0.17 0.00 0.00 0.00 0.00 60.65 62.47 3h6r s ILE 109 Cb -0.04 -4.25 0.07 0.00 0.01 0.00 0.00 42.46 38.24 3h6r s ILE 109 CO -0.00 0.23 0.48 -0.63 0.00 0.00 0.00 174.94 175.02 3h6r s ILE 110 N 0.45 5.10 -0.17 2.92 1.01 -1.26 -1.02 121.20 128.23 3h6r s ILE 110 Ca 0.50 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 3h6r s ILE 110 Cb -0.24 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 3h6r s ILE 110 CO 0.30 -0.66 0.05 -0.13 0.00 0.00 0.00 174.94 174.49 3h6r s ARG 111 N 2.02 3.86 -0.41 2.79 0.52 0.09 -0.66 118.95 127.15 3h6r s ARG 111 Ca 0.08 -0.36 -0.13 0.00 -0.52 0.00 0.00 55.73 54.81 3h6r s ARG 111 Cb -0.22 -3.15 0.04 0.00 0.52 0.00 0.00 34.95 32.14 3h6r s ARG 111 CO 0.09 0.33 0.28 0.00 0.02 0.00 0.00 175.30 176.01 3h6r s ALA 112 N 0.21 3.40 0.19 2.13 0.00 0.16 -1.12 121.76 126.73 3h6r s ALA 112 Ca 0.04 -1.87 -0.33 0.00 0.00 0.00 0.00 51.96 49.80 3h6r s ALA 112 Cb -0.12 -2.79 -0.14 0.00 0.00 0.00 0.00 23.12 20.06 3h6r s ALA 112 CO 0.01 -1.52 1.39 -2.30 0.00 0.00 0.00 175.76 173.33 3h6r n PRO 113 N 5.08 1.78 -4.06 0.00 -0.02 -1.26 -4.28 135.00 132.24 3h6r n PRO 113 Ca -0.11 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 61.91 3h6r n PRO 113 Cb 0.45 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3h6r n PRO 113 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3h6r s ILE 114 N 0.19 0.12 0.00 4.25 2.07 -1.26 -5.07 121.20 121.50 3h6r s ILE 114 Ca 0.73 -1.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.30 3h6r s ILE 114 Cb -0.73 -1.82 0.00 0.00 0.13 0.00 0.00 42.46 40.04 3h6r s ILE 114 CO 0.47 -0.53 0.65 0.00 -1.91 0.00 0.00 174.94 173.62 3h6r n GLN 115 N -0.09 0.00 0.00 3.50 1.13 -1.26 -4.90 117.38 115.77 3h6r n GLN 115 Ca -0.08 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 3h6r n GLN 115 Cb 0.63 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.81 3h6r n GLN 115 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3h6r n ARG 116 N -1.12 0.00 -2.91 -1.09 3.00 -1.26 -4.87 116.66 108.41 3h6r n ARG 116 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.49 3h6r n ARG 116 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 3h6r n ARG 116 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3h6r s VAL 117 N 0.00 4.39 -1.36 1.55 1.01 -1.26 -3.58 120.40 121.15 3h6r s VAL 117 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.49 3h6r s VAL 117 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3h6r s VAL 117 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3h6r n GLY 118 N 0.21 1.31 3.13 4.51 0.00 -1.26 -5.01 105.19 108.09 3h6r n GLY 118 Ca 0.02 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 3h6r n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h6r s VAL 119 N -2.31 1.33 -0.13 1.61 1.01 -1.23 -1.11 120.40 119.57 3h6r s VAL 119 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3h6r s VAL 119 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.26 3h6r s VAL 119 CO 0.00 0.38 -0.16 -0.62 0.00 0.00 0.00 175.10 174.70 3h6r s ASP 120 N -0.12 2.67 -0.23 3.32 2.15 -0.15 -4.89 116.67 119.42 3h6r s ASP 120 Ca 0.00 -0.49 -0.10 0.00 0.43 0.00 0.00 52.55 52.39 3h6r s ASP 120 Cb -0.09 -1.20 -0.05 0.00 -0.30 0.00 0.00 42.92 41.28 3h6r s ASP 120 CO 0.01 0.01 0.15 -0.69 -0.17 0.00 0.00 175.17 174.47 3h6r s VAL 121 N 1.10 5.26 0.06 1.11 1.01 -1.26 -0.58 120.40 127.10 3h6r s VAL 121 Ca -0.03 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3h6r s VAL 121 Cb -0.14 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3h6r s VAL 121 CO -0.05 0.36 -0.13 -1.61 0.00 0.00 0.00 175.10 173.67 3h6r s GLU 122 N 1.00 0.81 -0.15 2.72 2.02 0.34 0.35 118.70 125.80 3h6r s GLU 122 Ca 0.07 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 3h6r s GLU 122 Cb -0.13 -0.80 -0.01 0.00 0.10 0.00 0.00 34.13 33.29 3h6r s GLU 122 CO 0.04 0.18 1.05 0.08 0.02 0.00 0.00 175.26 176.63 3h6r s VAL 123 N -1.11 4.67 0.00 2.63 1.01 0.17 0.10 120.40 127.87 3h6r s VAL 123 Ca -0.02 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.94 3h6r s VAL 123 Cb -0.09 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3h6r s VAL 123 CO 0.02 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3h6r n GLY 124 N 3.22 5.26 2.95 4.51 0.00 0.13 -4.57 105.19 116.71 3h6r n GLY 124 Ca 0.10 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 3h6r n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h6r s VAL 125 N -0.76 0.33 -0.10 1.61 1.01 -1.26 -0.95 120.40 120.28 3h6r s VAL 125 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3h6r s VAL 125 Cb 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 36.38 36.11 3h6r s VAL 125 CO 0.00 0.00 0.06 -1.58 0.00 0.00 0.00 175.10 173.59 3h6r s GLN 126 N -0.34 0.06 -1.25 2.72 0.74 -0.42 -4.85 119.66 116.33 3h6r s GLN 126 Ca -0.01 0.16 -0.06 0.00 0.05 0.00 0.00 55.36 55.50 3h6r s GLN 126 Cb -0.03 -1.09 -0.01 0.00 1.10 0.00 0.00 33.01 32.98 3h6r s GLN 126 CO -0.00 -0.46 0.70 0.41 -0.55 0.00 0.00 175.29 175.39 3h6r n GLY 127 N 5.27 -0.55 2.80 2.59 0.00 -1.26 -1.30 105.19 112.75 3h6r n GLY 127 Ca -0.05 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 3h6r n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h6r n ASN 128 N -2.96 -5.76 -4.33 1.61 3.02 -1.26 -4.95 115.26 100.63 3h6r n ASN 128 Ca -0.23 0.26 -0.33 0.00 -0.03 0.00 0.00 54.58 54.26 3h6r n ASN 128 Cb 0.65 -4.18 -0.15 0.00 -0.61 0.00 0.00 39.78 35.49 3h6r n ASN 128 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3h6r s THR 129 N -1.89 2.69 0.20 3.41 2.01 -0.42 -1.12 115.64 120.52 3h6r s THR 129 Ca 0.00 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 3h6r s THR 129 Cb 0.00 -2.09 -0.09 0.00 0.01 0.00 0.00 72.50 70.33 3h6r s THR 129 CO 0.00 0.54 1.36 -0.76 -0.69 0.00 0.00 174.62 175.08 3h6r s LEU 130 N 0.24 4.40 0.10 4.42 1.02 -0.65 -1.30 118.68 126.91 3h6r s LEU 130 Ca -0.11 2.47 -0.04 0.00 0.02 0.00 0.00 54.13 56.47 3h6r s LEU 130 Cb -0.16 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.41 3h6r s LEU 130 CO 0.06 -0.60 0.10 0.68 0.02 0.00 0.00 176.35 176.61 3h6r s VAL 131 N 0.24 0.14 -0.22 -1.59 -7.23 -0.13 -1.35 120.40 110.26 3h6r s VAL 131 Ca 0.59 -1.65 -0.24 0.00 -1.81 0.00 0.00 61.98 58.87 3h6r s VAL 131 Cb -0.38 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 3h6r s VAL 131 CO 0.38 -0.63 0.78 -0.31 -0.31 0.00 0.00 175.10 175.01 3h6r s TYR 132 N -3.96 3.34 -0.16 2.82 1.51 -0.01 0.22 117.35 121.11 3h6r s TYR 132 Ca 0.14 1.10 -0.05 0.00 -1.01 0.00 0.00 57.07 57.25 3h6r s TYR 132 Cb 0.06 -2.98 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 3h6r s TYR 132 CO -0.04 -0.32 -0.01 0.15 -1.11 0.00 0.00 175.55 174.21 3h6r s LYS 133 N 2.52 3.75 -0.21 -0.62 -0.14 0.11 -0.51 119.74 124.64 3h6r s LYS 133 Ca 0.34 -0.47 -0.10 0.00 -1.36 0.00 0.00 55.97 54.37 3h6r s LYS 133 Cb -0.16 -2.99 -0.05 0.00 -1.68 0.00 0.00 37.83 32.95 3h6r s LYS 133 CO 0.09 0.25 0.14 -0.06 -0.76 0.00 0.00 175.35 175.01 3h6r s PHE 134 N 0.36 3.39 0.11 3.18 2.99 -1.26 -0.50 117.98 126.24 3h6r s PHE 134 Ca -0.02 0.31 0.07 0.00 0.00 0.00 0.00 56.93 57.28 3h6r s PHE 134 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 43.02 40.66 3h6r s PHE 134 CO 0.02 0.23 -0.16 -0.06 -0.00 0.00 0.00 175.22 175.25 3h6r s PHE 135 N 0.53 1.49 0.28 0.36 0.40 0.25 -4.97 117.98 116.33 3h6r s PHE 135 Ca 0.08 -0.48 -0.24 0.00 -0.60 0.00 0.00 56.93 55.69 3h6r s PHE 135 Cb -0.12 -0.80 -0.09 0.00 0.51 0.00 0.00 43.02 42.52 3h6r s PHE 135 CO -0.00 0.16 0.85 -1.25 0.70 0.00 0.00 175.22 175.68 3h6r s PRO 136 N -2.23 4.46 -1.18 0.24 0.04 -1.26 -0.98 135.00 134.10 3h6r s PRO 136 Ca 0.06 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 3h6r s PRO 136 Cb -0.08 -2.86 0.11 0.00 0.04 0.00 0.00 34.50 31.72 3h6r s PRO 136 CO 0.04 0.34 1.51 0.08 0.04 0.00 0.00 177.00 179.01 3h6r s VAL 137 N -1.56 4.47 -1.90 -0.36 1.01 -0.27 -4.77 120.40 117.02 3h6r s VAL 137 Ca 0.47 -1.93 0.21 0.00 0.00 0.00 0.00 61.98 60.73 3h6r s VAL 137 Cb -0.18 -5.03 -0.01 0.00 0.00 0.00 0.00 36.38 31.16 3h6r s VAL 137 CO 0.23 -1.81 1.03 -0.90 0.00 0.00 0.00 175.10 173.65 3h6r n ASP 138 N 7.33 1.94 -0.34 3.32 5.68 -1.26 -4.94 116.55 128.27 3h6r n ASP 138 Ca 0.39 -1.47 -0.04 0.00 -0.50 0.00 0.00 54.79 53.17 3h6r n ASP 138 Cb 0.46 0.48 -0.02 0.00 -1.14 0.00 0.00 41.12 40.90 3h6r n ASP 138 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h6r n GLY 139 N 1.36 0.67 0.21 6.12 0.00 -1.26 -4.91 105.19 107.37 3h6r n GLY 139 Ca 0.09 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.92 3h6r n GLY 139 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h6r h SER 140 N 0.00 0.00 -0.36 1.61 4.64 -1.94 -3.46 113.55 114.04 3h6r h SER 140 Ca -0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 3h6r h SER 140 Cb 0.54 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.57 3h6r h SER 140 CO 0.13 0.23 -0.14 0.61 -0.87 0.00 0.00 176.83 176.79 3h6r n GLY 141 N 0.61 0.96 3.63 -0.77 0.00 -1.26 -5.01 105.19 103.34 3h6r n GLY 141 Ca 0.01 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 3h6r n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h6r s GLY 142 N -2.79 1.59 0.33 -0.02 0.00 -1.26 -4.95 107.32 100.21 3h6r s GLY 142 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 3h6r s GLY 142 CO 0.00 0.50 1.41 -0.35 0.00 0.00 0.00 173.10 174.66 3h6r s ASP 143 N -3.05 6.59 0.05 1.64 3.68 -1.26 -4.97 116.67 119.35 3h6r s ASP 143 Ca 0.66 2.82 0.03 0.00 2.13 0.00 0.00 52.55 58.18 3h6r s ASP 143 Cb -0.21 -2.65 -0.03 0.00 -1.45 0.00 0.00 42.92 38.59 3h6r s ASP 143 CO 0.60 -0.70 -0.09 -0.13 0.13 0.00 0.00 175.17 174.98 3h6r s ARG 144 N -1.56 0.58 0.44 4.34 1.81 -1.26 -4.98 118.95 118.32 3h6r s ARG 144 Ca 0.53 -0.82 -0.22 0.00 -1.72 0.00 0.00 55.73 53.50 3h6r s ARG 144 Cb -0.43 -0.36 -0.09 0.00 -0.45 0.00 0.00 34.95 33.62 3h6r s ARG 144 CO 0.54 0.06 1.02 -1.25 -0.68 0.00 0.00 175.30 175.00 3h6r s PRO 145 N -1.72 4.05 0.28 3.54 0.04 -1.26 -0.86 135.00 139.07 3h6r s PRO 145 Ca -0.08 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 3h6r s PRO 145 Cb -0.09 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3h6r s PRO 145 CO 0.00 -0.22 0.48 0.00 0.04 0.00 0.00 177.00 177.31 3h6r s ALA 146 N -1.89 0.08 -0.04 8.56 0.00 -0.55 -4.62 121.76 123.32 3h6r s ALA 146 Ca 0.62 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3h6r s ALA 146 Cb -0.17 1.08 0.03 0.00 0.00 0.00 0.00 23.12 24.06 3h6r s ALA 146 CO 0.21 -0.83 -0.01 -1.58 0.00 0.00 0.00 175.76 173.55 3h6r s TRP 147 N -3.62 0.46 -0.29 0.00 0.52 0.50 0.02 118.94 116.54 3h6r s TRP 147 Ca 0.25 -0.07 -0.25 0.00 0.02 0.00 0.00 56.10 56.06 3h6r s TRP 147 Cb -0.01 -0.52 0.00 0.00 -1.15 0.00 0.00 33.47 31.79 3h6r s TRP 147 CO 0.13 -0.17 0.86 0.50 0.02 0.00 0.00 176.95 178.29 3h6r s ARG 148 N 1.12 4.03 -0.44 4.98 3.52 0.08 -0.61 118.95 131.64 3h6r s ARG 148 Ca -0.08 0.77 -0.19 0.00 -0.13 0.00 0.00 55.73 56.10 3h6r s ARG 148 Cb -0.14 -3.71 0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3h6r s ARG 148 CO -0.02 -0.69 0.55 -0.06 -0.81 0.00 0.00 175.30 174.27 3h6r s PHE 149 N 3.08 3.11 -0.11 5.12 0.08 -0.17 -1.09 117.98 128.00 3h6r s PHE 149 Ca 0.36 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.17 3h6r s PHE 149 Cb -0.14 -3.15 -0.01 0.00 -0.57 0.00 0.00 43.02 39.14 3h6r s PHE 149 CO 0.12 -0.81 -0.15 0.95 -0.10 0.00 0.00 175.22 175.23 3h6r s THR 150 N 2.49 2.87 0.29 0.64 -4.23 -0.46 -4.89 115.64 112.36 3h6r s THR 150 Ca 0.17 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.65 3h6r s THR 150 Cb -0.16 -2.18 -0.13 0.00 1.34 0.00 0.00 72.50 71.37 3h6r s THR 150 CO 0.16 0.54 1.35 -1.14 -0.54 0.00 0.00 174.62 174.98 3h6r n ARG 151 N 3.34 2.08 0.00 3.99 3.00 -1.26 -1.37 116.66 126.43 3h6r n ARG 151 Ca -0.18 0.73 0.11 0.00 -0.00 0.00 0.00 57.85 58.51 3h6r n ARG 151 Cb 0.53 -2.35 0.09 0.00 0.00 0.00 0.00 32.46 30.73 3h6r n ARG 151 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72