#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 -0.59 -0.41 3.04 0.00 -1.26 -4.83 120.51 116.47 3h6r n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h6r n ALA 2 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.24 -0.71 -4.68 0.00 2.88 -1.26 -4.93 113.62 103.68 3h6r n SER 3 Ca 0.00 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.06 3h6r n SER 3 Cb 0.44 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 3h6r n SER 3 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3h6r n LEU 4 N 0.00 3.27 -4.77 2.46 7.94 -1.26 -4.94 117.00 119.70 3h6r n LEU 4 Ca 0.00 1.02 -0.37 0.00 -1.11 0.00 0.00 56.01 55.54 3h6r n LEU 4 Cb 0.00 -1.39 -0.01 0.00 0.53 0.00 0.00 43.42 42.56 3h6r n LEU 4 CO 0.00 -0.17 0.85 -1.61 -1.11 0.00 0.00 177.39 175.35 3h6r s GLU 5 N 2.75 3.76 0.59 1.96 2.02 -1.26 -4.82 118.70 123.70 3h6r s GLU 5 Ca 0.87 1.85 -0.19 0.00 0.02 0.00 0.00 54.97 57.52 3h6r s GLU 5 Cb -0.70 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 3h6r s GLU 5 CO 0.46 -0.57 1.11 -0.25 0.02 0.00 0.00 175.26 176.04 3h6r n ASP 6 N -0.40 1.45 0.00 -0.19 9.92 -1.26 -4.94 116.55 121.13 3h6r n ASP 6 Ca 0.07 0.86 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 3h6r n ASP 6 Cb 0.47 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 3h6r n ASP 6 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h6r n GLY 7 N 1.10 -1.83 3.79 0.44 0.00 -0.88 -5.00 105.19 102.80 3h6r n GLY 7 Ca 0.13 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.51 5.41 0.13 2.61 2.01 -1.26 -0.77 115.64 121.26 3h6r s THR 8 Ca 0.00 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 3h6r s THR 8 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3h6r s THR 8 CO 0.00 0.51 0.06 -0.31 -0.69 0.00 0.00 174.62 174.19 3h6r s TYR 9 N -0.23 0.82 0.14 4.92 2.02 0.10 -0.26 117.35 124.86 3h6r s TYR 9 Ca 0.13 -1.20 0.05 0.00 -0.37 0.00 0.00 57.07 55.68 3h6r s TYR 9 Cb -0.12 -0.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 3h6r s TYR 9 CO 0.02 -0.52 0.05 1.03 -1.57 0.00 0.00 175.55 174.55 3h6r s ARG 10 N -4.04 2.65 -0.19 -0.62 0.52 -0.64 -0.39 118.95 116.24 3h6r s ARG 10 Ca 0.23 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 3h6r s ARG 10 Cb 0.07 -2.54 0.04 0.00 0.52 0.00 0.00 34.95 33.04 3h6r s ARG 10 CO 0.01 0.50 -0.10 -0.51 0.02 0.00 0.00 175.30 175.22 3h6r s LEU 11 N -2.74 2.15 -0.15 2.53 1.02 -1.26 -1.11 118.68 119.12 3h6r s LEU 11 Ca 0.28 -0.83 -0.04 0.00 0.02 0.00 0.00 54.13 53.56 3h6r s LEU 11 Cb -0.11 -1.19 -0.03 0.00 0.02 0.00 0.00 46.19 44.88 3h6r s LEU 11 CO 0.20 -0.14 0.01 -0.60 0.02 0.00 0.00 176.35 175.84 3h6r s ARG 12 N 1.43 3.59 0.03 1.70 3.52 0.16 -1.01 118.95 128.39 3h6r s ARG 12 Ca -0.00 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 3h6r s ARG 12 Cb -0.16 -2.98 -0.07 0.00 -1.56 0.00 0.00 34.95 30.18 3h6r s ARG 12 CO -0.08 0.38 1.48 0.00 -0.81 0.00 0.00 175.30 176.27 3h6r s ALA 13 N 0.02 3.62 0.00 6.12 0.00 -0.40 -0.58 121.76 130.55 3h6r s ALA 13 Ca 0.03 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3h6r s ALA 13 Cb -0.13 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3h6r s ALA 13 CO 0.02 -0.95 0.00 1.33 0.00 0.00 0.00 175.76 176.16 3h6r n VAL 14 N 4.61 0.00 -4.23 0.00 0.24 0.59 -4.74 118.33 114.80 3h6r n VAL 14 Ca 0.14 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.31 3h6r n VAL 14 Cb 0.42 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 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 -2.05 0.31 0.27 3.34 -4.23 -1.15 -1.04 115.64 111.09 3h6r s THR 15 Ca 0.00 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3h6r s THR 15 Cb 0.00 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.53 3h6r s THR 15 CO 0.00 -0.18 1.72 0.71 -0.54 0.00 0.00 174.62 176.33 3h6r h THR 16 N 2.61 1.26 0.00 3.99 1.35 -1.37 -1.32 112.91 119.43 3h6r h THR 16 Ca -0.37 -1.23 -0.05 0.00 -0.55 0.00 0.00 66.41 64.21 3h6r h THR 16 Cb 1.23 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 3h6r h THR 16 CO 0.58 0.40 -0.23 0.45 -0.25 0.00 0.00 175.52 176.48 3h6r h HIS 17 N 0.48 0.00 -2.10 4.73 3.86 -1.93 -3.37 115.15 116.82 3h6r h HIS 17 Ca 0.07 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.71 3h6r h HIS 17 Cb 0.64 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.73 3h6r h HIS 17 CO 0.02 0.23 -1.05 -1.71 0.86 0.00 0.00 177.93 176.28 3h6r n ASN 18 N -3.24 0.21 0.25 2.45 5.15 -1.06 -4.97 115.26 114.05 3h6r n ASN 18 Ca 0.02 -2.66 0.16 0.00 -0.60 0.00 0.00 54.58 51.50 3h6r n ASN 18 Cb 0.53 -0.62 0.55 0.00 -0.53 0.00 0.00 39.78 39.71 3h6r n ASN 18 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3h6r h PRO 19 N 4.40 0.00 -2.15 1.20 0.13 -1.41 -3.03 132.00 131.13 3h6r h PRO 19 Ca 0.12 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.68 3h6r h PRO 19 Cb 0.88 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.61 3h6r h PRO 19 CO 0.46 0.00 -1.01 -3.47 -0.23 0.00 0.00 178.00 173.75 3h6r n ASP 20 N -2.98 0.45 -4.32 1.44 2.03 -1.26 -4.83 116.55 107.08 3h6r n ASP 20 Ca 0.02 -2.70 -0.29 0.00 0.52 0.00 0.00 54.79 52.33 3h6r n ASP 20 Cb 0.35 -0.63 0.20 0.00 -0.72 0.00 0.00 41.12 40.32 3h6r n ASP 20 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3h6r s PRO 21 N -1.01 -0.18 0.00 -0.67 0.04 -1.26 -5.06 135.00 126.85 3h6r s PRO 21 Ca 0.35 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.58 3h6r s PRO 21 Cb 0.13 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.97 3h6r s PRO 21 CO -0.12 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.25 3h6r n GLY 22 N -1.29 -1.24 3.66 0.56 0.00 -1.26 -4.99 105.19 100.63 3h6r n GLY 22 Ca 0.09 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 3h6r n GLY 22 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h6r n VAL 23 N -1.89 4.04 0.00 1.61 0.24 -1.26 -4.71 118.33 116.35 3h6r n VAL 23 Ca 0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3h6r n VAL 23 Cb 0.00 -1.26 0.00 0.00 -1.47 0.00 0.00 33.84 31.11 3h6r n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h6r n GLY 24 N 1.12 0.31 1.47 7.63 0.00 -1.26 -5.13 105.19 109.33 3h6r n GLY 24 Ca 0.15 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3h6r n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6r n GLY 25 N 0.00 -2.53 3.11 -0.02 0.00 -1.26 -4.71 105.19 99.78 3h6r n GLY 25 Ca 0.00 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 3h6r n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h6r s GLU 26 N -0.73 1.36 0.12 1.61 -1.05 -1.26 -4.02 118.70 114.73 3h6r s GLU 26 Ca 0.00 -0.53 0.08 0.00 -0.15 0.00 0.00 54.97 54.37 3h6r s GLU 26 Cb 0.00 -1.26 -0.04 0.00 -0.44 0.00 0.00 34.13 32.39 3h6r s GLU 26 CO 0.00 0.27 -0.14 0.71 0.95 0.00 0.00 175.26 177.06 3h6r s TYR 27 N -0.16 2.62 0.19 4.83 1.51 0.15 -1.27 117.35 125.23 3h6r s TYR 27 Ca 0.02 -0.22 -0.32 0.00 -1.01 0.00 0.00 57.07 55.54 3h6r s TYR 27 Cb -0.08 -1.36 -0.11 0.00 -0.11 0.00 0.00 41.96 40.30 3h6r s TYR 27 CO 0.00 0.42 1.63 0.00 -1.11 0.00 0.00 175.55 176.50 3h6r s ALA 28 N -1.27 3.84 -0.06 3.71 0.00 -0.18 -1.27 121.76 126.53 3h6r s ALA 28 Ca 0.20 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.63 3h6r s ALA 28 Cb -0.10 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.39 3h6r s ALA 28 CO 0.12 -0.85 0.02 0.99 0.00 0.00 0.00 175.76 176.04 3h6r s THR 29 N 1.04 0.19 0.44 0.00 2.01 0.17 -4.35 115.64 115.14 3h6r s THR 29 Ca 0.71 0.23 -0.24 0.00 0.31 0.00 0.00 61.69 62.70 3h6r s THR 29 Cb -0.46 -0.38 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 3h6r s THR 29 CO 0.33 0.22 1.18 -0.69 -0.69 0.00 0.00 174.62 174.97 3h6r s VAL 30 N 1.98 3.07 -0.19 3.82 1.01 -0.20 -0.96 120.40 128.92 3h6r s VAL 30 Ca 0.04 0.84 0.23 0.00 0.00 0.00 0.00 61.98 63.09 3h6r s VAL 30 Cb -0.12 -3.44 0.48 0.00 0.00 0.00 0.00 36.38 33.30 3h6r s VAL 30 CO -0.04 0.03 1.13 -0.62 0.00 0.00 0.00 175.10 175.60 3h6r n GLU 31 N -0.29 1.35 0.00 2.72 -0.58 -1.26 -4.87 120.64 117.72 3h6r n GLU 31 Ca 0.06 -3.13 0.00 0.00 -0.42 0.00 0.00 57.16 53.68 3h6r n GLU 31 Cb 0.47 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3h6r n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h6r n GLY 32 N -0.32 3.22 3.69 0.62 0.00 -1.26 -4.76 105.19 106.39 3h6r n GLY 32 Ca 0.09 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.09 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 0.26 1.87 -1.33 4.61 0.00 -1.26 -1.22 120.51 123.44 3h6r n ALA 33 Ca 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 3h6r n ALA 33 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 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 3.09 -1.48 -4.07 0.00 5.12 0.18 -5.00 116.66 114.50 3h6r n ARG 34 Ca 0.14 0.88 -0.23 0.00 -1.93 0.00 0.00 57.85 56.71 3h6r n ARG 34 Cb 0.32 -5.18 -0.06 0.00 -1.16 0.00 0.00 32.46 26.38 3h6r n ARG 34 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3h6r s GLN 35 N -2.87 2.45 0.46 5.56 -1.52 -0.36 -4.81 119.66 118.58 3h6r s GLN 35 Ca 0.00 -1.47 -0.25 0.00 -1.95 0.00 0.00 55.36 51.70 3h6r s GLN 35 Cb 0.00 -2.24 -0.08 0.00 -0.22 0.00 0.00 33.01 30.47 3h6r s GLN 35 CO 0.00 0.15 1.37 -2.14 -0.25 0.00 0.00 175.29 174.42 3h6r s PRO 36 N -3.85 3.66 0.16 2.91 0.02 -1.26 -1.53 135.00 135.10 3h6r s PRO 36 Ca 0.37 2.28 -0.23 0.00 0.02 0.00 0.00 61.00 63.44 3h6r s PRO 36 Cb -0.04 -2.59 -0.08 0.00 0.02 0.00 0.00 34.50 31.81 3h6r s PRO 36 CO 0.23 -0.79 0.73 0.08 -0.33 0.00 0.00 177.00 176.92 3h6r s VAL 37 N -1.25 4.46 0.35 3.83 1.01 -0.37 -4.30 120.40 124.14 3h6r s VAL 37 Ca 0.62 1.54 0.09 0.00 0.00 0.00 0.00 61.98 64.23 3h6r s VAL 37 Cb -0.41 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 3h6r s VAL 37 CO 0.52 0.46 -0.03 -1.10 0.00 0.00 0.00 175.10 174.94 3h6r s GLN 38 N -1.32 1.94 -0.33 2.72 -0.21 -0.13 -1.42 119.66 120.91 3h6r s GLN 38 Ca 0.36 -1.89 -0.11 0.00 0.02 0.00 0.00 55.36 53.75 3h6r s GLN 38 Cb -0.21 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.01 3h6r s GLN 38 CO 0.24 0.11 0.18 0.00 -2.12 0.00 0.00 175.29 173.70 3h6r s ALA 39 N -2.59 3.31 0.21 6.09 0.00 0.40 0.42 121.76 129.61 3h6r s ALA 39 Ca 0.34 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.88 3h6r s ALA 39 Cb 0.02 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3h6r s ALA 39 CO 0.18 -1.05 -0.09 -1.21 0.00 0.00 0.00 175.76 173.59 3h6r s GLU 40 N 1.62 1.31 0.91 0.00 0.41 -0.40 -4.78 118.70 117.78 3h6r s GLU 40 Ca 0.04 -1.61 -0.12 0.00 -0.41 0.00 0.00 54.97 52.87 3h6r s GLU 40 Cb -0.18 -0.92 0.14 0.00 -1.78 0.00 0.00 34.13 31.39 3h6r s GLU 40 CO 0.07 0.08 1.11 -2.14 -0.49 0.00 0.00 175.26 173.89 3h6r s PRO 41 N -3.73 1.15 -1.34 0.39 0.02 -1.26 0.30 135.00 130.53 3h6r s PRO 41 Ca 0.24 0.49 -0.08 0.00 0.02 0.00 0.00 61.00 61.66 3h6r s PRO 41 Cb 0.02 -1.82 0.12 0.00 0.02 0.00 0.00 34.50 32.84 3h6r s PRO 41 CO 0.07 -2.24 2.17 -1.71 -0.33 0.00 0.00 177.00 174.96 3h6r n ASN 42 N -3.83 6.26 -4.34 2.53 5.15 -1.26 -4.81 115.26 114.98 3h6r n ASN 42 Ca 0.06 -3.05 -0.25 0.00 -0.60 0.00 0.00 54.58 50.73 3h6r n ASN 42 Cb 0.58 -1.46 -0.12 0.00 -0.53 0.00 0.00 39.78 38.24 3h6r n ASN 42 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3h6r s THR 43 N 0.26 1.95 0.39 -0.44 -4.23 -1.26 -5.04 115.64 107.27 3h6r s THR 43 Ca 0.47 -1.71 0.25 0.00 -1.18 0.00 0.00 61.69 59.52 3h6r s THR 43 Cb 0.14 -1.78 0.40 0.00 1.34 0.00 0.00 72.50 72.59 3h6r s THR 43 CO -0.04 -0.06 1.58 -2.65 -0.54 0.00 0.00 174.62 172.91 3h6r n PRO 44 N 0.84 -0.05 0.06 3.99 -0.02 -1.26 -2.12 135.00 136.43 3h6r n PRO 44 Ca -0.17 1.34 0.01 0.00 -2.02 0.00 0.00 63.50 62.66 3h6r n PRO 44 Cb 0.54 -2.48 0.34 0.00 -0.02 0.00 0.00 33.50 31.88 3h6r n PRO 44 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h6r h PRO 45 N 0.00 0.39 0.00 0.52 0.11 -1.97 -3.02 132.00 128.03 3h6r h PRO 45 Ca 0.86 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.89 3h6r h PRO 45 Cb 2.44 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 33.50 3h6r h PRO 45 CO -0.68 0.46 -0.78 1.19 -0.21 0.00 0.00 178.00 177.99 3h6r n PHE 46 N -4.28 0.32 -0.20 0.65 3.72 -0.90 -4.58 117.46 112.19 3h6r n PHE 46 Ca 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 3h6r n PHE 46 Cb 0.25 -0.47 0.11 0.00 -0.94 0.00 0.00 39.48 38.43 3h6r n PHE 46 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3h6r h PHE 47 N 0.00 0.35 0.00 1.38 3.04 -1.49 -0.14 116.94 120.08 3h6r h PHE 47 Ca 0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 3h6r h PHE 47 Cb 0.69 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.13 3h6r h PHE 47 CO 0.00 0.07 -0.10 0.93 -2.02 0.00 0.00 178.31 177.19 3h6r h GLU 48 N 0.37 0.00 -0.01 1.11 4.39 -1.81 -0.71 114.58 117.93 3h6r h GLU 48 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3h6r h GLU 48 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3h6r h GLU 48 CO -0.33 0.10 -0.05 0.54 -1.16 0.00 0.00 179.01 178.11 3h6r n ARG 49 N -3.30 1.17 -0.14 2.33 1.74 -0.10 -4.03 116.66 114.33 3h6r n ARG 49 Ca -0.00 -0.50 0.08 0.00 -0.77 0.00 0.00 57.85 56.66 3h6r n ARG 49 Cb 0.31 -1.49 0.15 0.00 -1.02 0.00 0.00 32.46 30.41 3h6r n ARG 49 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3h6r n GLN 50 N -0.47 2.10 -3.50 5.56 6.02 -0.27 -1.04 117.38 125.78 3h6r n GLN 50 Ca 0.18 -1.92 -0.37 0.00 -0.01 0.00 0.00 57.00 54.88 3h6r n GLN 50 Cb 0.28 -1.36 -0.08 0.00 1.02 0.00 0.00 30.24 30.10 3h6r n GLN 50 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3h6r s ILE 51 N -1.16 5.27 0.01 5.09 1.09 -1.23 -4.21 121.20 126.06 3h6r s ILE 51 Ca 0.27 0.55 0.05 0.00 -1.10 0.00 0.00 60.65 60.42 3h6r s ILE 51 Cb 0.16 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.89 3h6r s ILE 51 CO 0.22 0.33 -0.15 0.26 -0.10 0.00 0.00 174.94 175.50 3h6r s TRP 52 N 0.90 1.29 -0.25 3.97 0.52 0.48 -4.21 118.94 121.64 3h6r s TRP 52 Ca 0.16 -0.30 -0.15 0.00 0.02 0.00 0.00 56.10 55.83 3h6r s TRP 52 Cb -0.14 -0.80 -0.04 0.00 -1.15 0.00 0.00 33.47 31.35 3h6r s TRP 52 CO 0.06 0.01 0.37 -1.14 0.02 0.00 0.00 176.95 176.27 3h6r s GLN 53 N -0.74 4.06 -0.19 4.98 2.00 0.83 0.02 119.66 130.62 3h6r s GLN 53 Ca 0.04 0.07 -0.03 0.00 -2.00 0.00 0.00 55.36 53.43 3h6r s GLN 53 Cb -0.07 -3.62 -0.02 0.00 0.80 0.00 0.00 33.01 30.10 3h6r s GLN 53 CO 0.00 -0.21 -0.05 0.08 -0.50 0.00 0.00 175.29 174.62 3h6r s VAL 54 N 1.85 3.52 -0.06 1.34 1.01 0.05 -0.43 120.40 127.68 3h6r s VAL 54 Ca 0.16 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3h6r s VAL 54 Cb -0.15 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3h6r s VAL 54 CO 0.09 0.46 -0.06 -0.89 0.00 0.00 0.00 175.10 174.70 3h6r s THR 55 N 0.95 0.73 0.06 3.92 2.01 -0.59 -2.08 115.64 120.63 3h6r s THR 55 Ca -0.00 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 3h6r s THR 55 Cb -0.15 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 3h6r s THR 55 CO 0.01 0.28 0.99 -0.60 -0.69 0.00 0.00 174.62 174.61 3h6r s ARG 56 N 1.14 4.61 0.50 4.92 3.52 -1.26 -1.19 118.95 131.20 3h6r s ARG 56 Ca -0.07 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 3h6r s ARG 56 Cb -0.14 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3h6r s ARG 56 CO -0.01 0.06 0.73 -0.80 -0.81 0.00 0.00 175.30 174.46 3h6r s ASN 57 N 0.54 5.56 0.55 -2.12 0.01 0.16 -4.95 114.94 114.69 3h6r s ASN 57 Ca 0.50 0.17 0.30 0.00 -0.71 0.00 0.00 52.86 53.12 3h6r s ASN 57 Cb -0.23 -1.24 1.46 0.00 0.41 0.00 0.00 41.25 41.66 3h6r s ASN 57 CO 0.29 -0.93 1.90 0.00 -1.51 0.00 0.00 177.10 176.86 3h6r h ALA 58 N 0.22 2.58 -0.08 0.60 0.00 -1.98 0.27 119.26 120.87 3h6r h ALA 58 Ca -0.44 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3h6r h ALA 58 Cb 1.27 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3h6r h ALA 58 CO 0.55 -0.92 0.06 -0.44 0.00 0.00 0.00 179.25 178.50 3h6r h ASP 59 N 0.00 0.00 0.00 0.00 3.45 -2.03 -3.46 116.42 114.38 3h6r h ASP 59 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 3h6r h ASP 59 Cb 1.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 3h6r h ASP 59 CO -0.00 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.28 3h6r n GLY 60 N -1.50 0.59 3.99 2.75 0.00 0.09 -5.05 105.19 106.04 3h6r n GLY 60 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.82 2.80 0.02 1.61 -0.21 -1.26 -4.81 119.66 117.00 3h6r s GLN 61 Ca 0.00 -0.93 0.04 0.00 0.02 0.00 0.00 55.36 54.49 3h6r s GLN 61 Cb 0.00 -2.64 -0.02 0.00 1.00 0.00 0.00 33.01 31.35 3h6r s GLN 61 CO 0.00 -0.39 -0.13 0.71 -2.12 0.00 0.00 175.29 173.36 3h6r s TYR 62 N -2.51 1.18 0.06 0.91 1.51 0.01 0.37 117.35 118.89 3h6r s TYR 62 Ca 0.53 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.29 3h6r s TYR 62 Cb -0.10 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 3h6r s TYR 62 CO 0.35 0.01 0.17 0.95 -1.11 0.00 0.00 175.55 175.93 3h6r s THR 63 N -0.68 5.17 -0.37 -0.71 -4.23 -0.33 -1.10 115.64 113.39 3h6r s THR 63 Ca 0.02 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 3h6r s THR 63 Cb -0.07 -3.50 0.11 0.00 1.34 0.00 0.00 72.50 70.38 3h6r s THR 63 CO 0.01 0.16 0.14 -0.63 -0.54 0.00 0.00 174.62 173.75 3h6r s ILE 64 N -1.46 1.39 0.14 2.99 1.01 -1.26 -1.55 121.20 122.47 3h6r s ILE 64 Ca 0.33 -2.04 0.05 0.00 0.00 0.00 0.00 60.65 59.00 3h6r s ILE 64 Cb -0.13 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3h6r s ILE 64 CO 0.26 -0.74 0.06 -0.54 0.00 0.00 0.00 174.94 173.98 3h6r s LYS 65 N 0.99 2.68 -0.41 2.79 1.02 0.43 -0.75 119.74 126.49 3h6r s LYS 65 Ca 0.13 -0.91 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 3h6r s LYS 65 Cb -0.20 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3h6r s LYS 65 CO -0.13 0.50 0.52 -0.47 -0.92 0.00 0.00 175.35 174.85 3h6r s TYR 66 N -1.61 3.14 -1.34 3.18 5.04 -0.44 -0.12 117.35 125.20 3h6r s TYR 66 Ca 0.29 -0.14 -0.09 0.00 -2.44 0.00 0.00 57.07 54.68 3h6r s TYR 66 Cb -0.10 -3.05 0.12 0.00 0.35 0.00 0.00 41.96 39.28 3h6r s TYR 66 CO 0.21 -0.72 2.09 0.94 -1.34 0.00 0.00 175.55 176.73 3h6r n GLN 67 N 5.86 3.68 0.00 4.97 -0.06 -1.26 -4.51 117.38 126.06 3h6r n GLN 67 Ca -0.05 -3.29 0.00 0.00 -2.00 0.00 0.00 57.00 51.67 3h6r n GLN 67 Cb 0.48 -2.92 0.00 0.00 -4.06 0.00 0.00 30.24 23.74 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 2.86 0.39 0.00 1.69 0.00 -1.26 -5.06 105.19 103.81 3h6r n GLY 68 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.79 0.99 -0.00 -1.26 -4.97 117.00 108.97 3h6r n LEU 69 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 3h6r n LEU 69 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 3h6r n LEU 69 CO 0.00 0.17 2.22 0.59 -0.00 0.00 0.00 177.39 180.38 3h6r n ASN 70 N 0.00 5.51 0.00 1.45 5.03 -1.26 -4.63 115.26 121.37 3h6r n ASN 70 Ca 0.00 -2.35 0.00 0.00 0.87 0.00 0.00 54.58 53.10 3h6r n ASN 70 Cb 0.17 -1.20 0.00 0.00 -1.02 0.00 0.00 39.78 37.73 3h6r n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3h6r n ALA 71 N 3.41 0.00 -0.07 5.41 0.00 -1.26 -4.88 120.51 123.12 3h6r n ALA 71 Ca 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 3h6r n ALA 71 Cb 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 3h6r n ALA 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h6r h PRO 72 N 0.00 0.00 -5.85 0.00 0.13 -1.97 -3.38 132.00 120.92 3h6r h PRO 72 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 3h6r h PRO 72 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 3h6r h PRO 72 CO 0.00 0.72 0.99 0.12 -0.23 0.00 0.00 178.00 179.60 3h6r s PHE 73 N -2.12 1.86 0.00 1.56 2.19 -1.26 -4.83 117.98 115.38 3h6r s PHE 73 Ca -0.17 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.59 3h6r s PHE 73 Cb -0.00 -4.15 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 3h6r s PHE 73 CO 0.49 -1.93 0.00 -0.85 1.83 0.00 0.00 175.22 174.76 3h6r n GLU 74 N 8.97 -1.59 -4.16 10.12 0.28 -1.26 -5.11 120.64 127.90 3h6r n GLU 74 Ca 0.32 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 57.16 3h6r n GLU 74 Cb 0.49 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.24 3h6r n GLU 74 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3h6r s TYR 75 N -0.88 1.09 0.20 -1.84 2.02 -1.26 -4.72 117.35 111.97 3h6r s TYR 75 Ca 0.00 -0.52 -0.18 0.00 -0.37 0.00 0.00 57.07 56.00 3h6r s TYR 75 Cb 0.00 -0.61 0.07 0.00 -0.40 0.00 0.00 41.96 41.01 3h6r s TYR 75 CO 0.00 0.03 0.88 0.41 -1.57 0.00 0.00 175.55 175.30 3h6r n GLY 76 N 1.08 0.75 3.67 0.71 0.00 0.27 -1.32 105.19 110.34 3h6r n GLY 76 Ca -0.20 -1.15 -0.51 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.62 2.06 -3.63 1.61 0.99 0.07 -1.19 117.46 116.75 3h6r n PHE 77 Ca -0.03 0.35 -0.03 0.00 -0.00 0.00 0.00 57.45 57.74 3h6r n PHE 77 Cb 0.53 -2.51 -0.01 0.00 -1.00 0.00 0.00 39.48 36.49 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 4.67 -0.27 -3.57 4.37 2.88 0.13 -2.09 113.62 119.73 3h6r n SER 78 Ca 0.21 -1.36 -0.16 0.00 -1.33 0.00 0.00 58.87 56.24 3h6r n SER 78 Cb 0.22 0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 64.13 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 -4.80 -0.67 0.00 0.66 -0.85 -1.26 -1.47 117.35 108.96 3h6r s TYR 79 Ca 0.05 1.37 0.00 0.00 -0.52 0.00 0.00 57.07 57.98 3h6r s TYR 79 Cb -0.00 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.70 3h6r s TYR 79 CO 0.04 -0.49 0.00 -0.25 -1.52 0.00 0.00 175.55 173.33 3h6r n ASP 80 N 1.60 0.00 -4.79 -0.18 10.43 -1.26 -4.93 116.55 117.42 3h6r n ASP 80 Ca -0.16 0.06 -0.37 0.00 2.57 0.00 0.00 54.79 56.90 3h6r n ASP 80 Cb 0.56 -0.13 -0.07 0.00 1.84 0.00 0.00 41.12 43.33 3h6r n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h6r s GLN 81 N -0.26 3.97 -0.71 -1.24 -2.07 -1.26 -5.03 119.66 113.06 3h6r s GLN 81 Ca 0.00 0.04 -0.16 0.00 -1.82 0.00 0.00 55.36 53.42 3h6r s GLN 81 Cb 0.00 -3.33 0.16 0.00 -1.09 0.00 0.00 33.01 28.76 3h6r s GLN 81 CO 0.00 0.47 0.71 -1.17 -1.32 0.00 0.00 175.29 173.98 3h6r s LEU 82 N -0.22 6.21 0.06 2.60 2.96 -1.26 -4.82 118.68 124.21 3h6r s LEU 82 Ca 0.16 -2.15 -0.00 0.00 -0.22 0.00 0.00 54.13 51.92 3h6r s LEU 82 Cb -0.13 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 3h6r s LEU 82 CO 0.05 -0.79 -0.04 -1.61 -1.32 0.00 0.00 176.35 172.63 3h6r s GLU 83 N 1.25 0.63 -0.21 1.98 8.01 -1.26 -5.06 118.70 124.03 3h6r s GLU 83 Ca 0.14 -1.18 -0.39 0.00 0.01 0.00 0.00 54.97 53.54 3h6r s GLU 83 Cb -0.18 0.10 -0.16 0.00 -4.31 0.00 0.00 34.13 29.58 3h6r s GLU 83 CO -0.03 -0.08 1.69 -2.30 0.01 0.00 0.00 175.26 174.55 3h6r n PRO 84 N 0.23 1.22 -0.79 0.39 -0.02 -1.26 -0.65 135.00 134.13 3h6r n PRO 84 Ca -0.15 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3h6r n PRO 84 Cb 0.60 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 5.00 -0.72 -4.60 2.55 3.02 0.14 -5.00 115.26 115.64 3h6r n ASN 85 Ca 0.25 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 3h6r n ASN 85 Cb 0.15 -1.37 0.03 0.00 -0.61 0.00 0.00 39.78 37.98 3h6r n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h6r n ALA 86 N 1.00 0.10 -1.78 5.41 0.00 0.18 -4.58 120.51 120.84 3h6r n ALA 86 Ca 0.00 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 3h6r n ALA 86 Cb 0.04 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 3h6r n ALA 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h6r s PRO 87 N -2.33 3.77 0.02 0.00 0.04 -1.26 -1.15 135.00 134.09 3h6r s PRO 87 Ca 0.69 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3h6r s PRO 87 Cb -0.48 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 3h6r s PRO 87 CO 0.53 -0.43 1.08 0.08 0.04 0.00 0.00 177.00 178.29 3h6r s VAL 88 N -2.37 4.50 0.05 -0.36 1.01 0.23 -4.76 120.40 118.70 3h6r s VAL 88 Ca 0.62 1.79 0.04 0.00 0.00 0.00 0.00 61.98 64.44 3h6r s VAL 88 Cb -0.13 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3h6r s VAL 88 CO 0.28 0.13 -0.04 -0.63 0.00 0.00 0.00 175.10 174.84 3h6r s ILE 89 N 1.07 3.81 -0.91 2.22 -1.09 -0.54 -1.23 121.20 124.53 3h6r s ILE 89 Ca 0.55 -0.91 -0.24 0.00 -2.23 0.00 0.00 60.65 57.82 3h6r s ILE 89 Cb -0.25 -2.74 0.05 0.00 -1.58 0.00 0.00 42.46 37.94 3h6r s ILE 89 CO 0.28 0.24 1.34 0.00 -1.23 0.00 0.00 174.94 175.58 3h6r s ALA 90 N -1.16 2.80 0.00 9.38 0.00 -0.58 0.22 121.76 132.41 3h6r s ALA 90 Ca 0.21 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 50.15 3h6r s ALA 90 Cb -0.11 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.63 3h6r s ALA 90 CO 0.13 -3.42 0.00 0.41 0.00 0.00 0.00 175.76 172.88 3h6r n GLY 91 N 6.24 5.23 3.58 0.00 0.00 -0.33 0.47 105.19 120.38 3h6r n GLY 91 Ca 0.22 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 2.99 -4.62 1.61 8.00 -1.26 -0.57 116.55 122.70 3h6r n ASP 92 Ca 0.00 0.05 -0.58 0.00 0.71 0.00 0.00 54.79 54.98 3h6r n ASP 92 Cb 0.00 -1.55 -0.07 0.00 -0.02 0.00 0.00 41.12 39.48 3h6r n ASP 92 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3h6r n PRO 93 N 8.80 0.68 -3.26 -0.24 -0.02 -1.26 -4.60 135.00 135.10 3h6r n PRO 93 Ca 0.32 0.25 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 3h6r n PRO 93 Cb 0.46 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.47 2.72 -0.13 -0.52 -0.14 -0.89 -5.01 119.74 117.24 3h6r s LYS 94 Ca 0.93 -1.35 -0.11 0.00 -1.36 0.00 0.00 55.97 54.08 3h6r s LYS 94 Cb -1.15 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 32.35 3h6r s LYS 94 CO 0.59 -0.22 0.23 -1.21 -0.76 0.00 0.00 175.35 173.98 3h6r s GLU 95 N -4.25 3.93 0.17 1.68 2.02 -1.26 -4.41 118.70 116.58 3h6r s GLU 95 Ca 0.52 0.00 0.08 0.00 0.02 0.00 0.00 54.97 55.59 3h6r s GLU 95 Cb -0.07 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 3h6r s GLU 95 CO 0.31 0.49 -0.17 0.71 0.02 0.00 0.00 175.26 176.62 3h6r s TYR 96 N -0.27 1.74 -0.19 1.61 2.02 -0.26 -4.59 117.35 117.41 3h6r s TYR 96 Ca 0.15 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 3h6r s TYR 96 Cb -0.13 -0.86 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 3h6r s TYR 96 CO 0.04 0.31 0.19 0.42 -1.57 0.00 0.00 175.55 174.94 3h6r s ILE 97 N -2.23 5.37 -0.28 2.71 1.01 0.38 -0.81 121.20 127.36 3h6r s ILE 97 Ca 0.16 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 61.05 3h6r s ILE 97 Cb -0.05 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 3h6r s ILE 97 CO 0.06 0.42 0.13 -0.76 0.00 0.00 0.00 174.94 174.79 3h6r s LEU 98 N 0.41 3.82 -0.44 2.97 1.43 -1.26 -0.77 118.68 124.85 3h6r s LEU 98 Ca 0.11 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 3h6r s LEU 98 Cb -0.12 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 44.20 3h6r s LEU 98 CO 0.00 -0.09 0.28 -1.58 0.23 0.00 0.00 176.35 175.19 3h6r s GLN 99 N 1.65 2.44 0.09 1.70 0.74 0.25 -4.90 119.66 121.64 3h6r s GLN 99 Ca 0.06 -1.65 -0.36 0.00 0.05 0.00 0.00 55.36 53.47 3h6r s GLN 99 Cb -0.16 -3.79 -0.15 0.00 1.10 0.00 0.00 33.01 30.00 3h6r s GLN 99 CO 0.06 -1.07 1.50 -0.11 -0.55 0.00 0.00 175.29 175.12 3h6r n LEU 100 N 4.85 2.42 -4.72 3.68 7.94 -1.26 -0.97 117.00 128.94 3h6r n LEU 100 Ca -0.08 1.09 -0.40 0.00 -1.11 0.00 0.00 56.01 55.51 3h6r n LEU 100 Cb 0.42 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.02 3h6r n LEU 100 CO 0.39 -0.63 0.48 -0.69 -1.11 0.00 0.00 177.39 175.84 3h6r s VAL 101 N 1.03 4.95 0.35 1.96 1.01 0.04 -4.92 120.40 124.82 3h6r s VAL 101 Ca 0.83 1.64 -0.28 0.00 0.00 0.00 0.00 61.98 64.17 3h6r s VAL 101 Cb -0.82 -4.13 -0.12 0.00 0.00 0.00 0.00 36.38 31.31 3h6r s VAL 101 CO 0.44 0.25 1.27 -2.65 0.00 0.00 0.00 175.10 174.40 3h6r n PRO 102 N 3.64 2.05 -0.45 2.72 -0.02 -1.26 -1.85 135.00 139.83 3h6r n PRO 102 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3h6r n PRO 102 Cb 0.51 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.75 0.00 -4.55 2.55 3.41 -1.26 -5.03 113.62 109.48 3h6r n SER 103 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.40 3h6r n SER 103 Cb 0.36 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 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 -3.15 2.29 -0.32 6.66 -4.23 -0.77 -5.02 115.64 111.10 3h6r s THR 104 Ca 0.00 -2.19 0.06 0.00 -1.18 0.00 0.00 61.69 58.38 3h6r s THR 104 Cb 0.00 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 3h6r s THR 104 CO 0.00 -0.21 0.28 0.00 -0.54 0.00 0.00 174.62 174.16 3h6r n ALA 105 N -0.81 2.72 -1.36 3.99 0.00 -1.26 -4.78 120.51 119.01 3h6r n ALA 105 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3h6r n ALA 105 Cb 0.63 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.99 0.00 -4.54 0.00 3.85 -1.26 -4.24 116.55 109.37 3h6r n ASP 106 Ca 0.01 -1.22 -0.34 0.00 -0.71 0.00 0.00 54.79 52.53 3h6r n ASP 106 Cb 0.10 -0.04 -0.12 0.00 -1.35 0.00 0.00 41.12 39.71 3h6r n ASP 106 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3h6r s VAL 107 N 0.00 3.95 0.01 2.12 1.01 -1.26 -0.96 120.40 125.26 3h6r s VAL 107 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3h6r s VAL 107 Cb 0.00 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3h6r s VAL 107 CO 0.00 0.52 -0.08 -0.31 0.00 0.00 0.00 175.10 175.23 3h6r s TYR 108 N 0.05 0.68 0.13 5.22 1.51 -0.20 -0.78 117.35 123.96 3h6r s TYR 108 Ca 0.00 -0.20 -0.24 0.00 -1.01 0.00 0.00 57.07 55.62 3h6r s TYR 108 Cb -0.13 -0.43 -0.07 0.00 -0.11 0.00 0.00 41.96 41.21 3h6r s TYR 108 CO 0.03 -0.02 0.72 0.42 -1.11 0.00 0.00 175.55 175.59 3h6r s ILE 109 N -0.43 4.49 -0.42 2.71 1.01 -0.14 -0.80 121.20 127.63 3h6r s ILE 109 Ca 0.00 1.57 -0.11 0.00 0.00 0.00 0.00 60.65 62.11 3h6r s ILE 109 Cb -0.04 -4.07 0.06 0.00 0.01 0.00 0.00 42.46 38.42 3h6r s ILE 109 CO -0.00 0.52 0.28 -0.63 0.00 0.00 0.00 174.94 175.11 3h6r s ILE 110 N -1.05 4.59 -0.16 2.92 1.01 -1.26 -0.58 121.20 126.67 3h6r s ILE 110 Ca 0.34 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 3h6r s ILE 110 Cb -0.22 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3h6r s ILE 110 CO 0.24 -0.44 0.05 -0.13 0.00 0.00 0.00 174.94 174.66 3h6r s ARG 111 N 1.52 3.77 -0.41 2.79 0.52 0.05 -0.56 118.95 126.62 3h6r s ARG 111 Ca 0.03 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.76 3h6r s ARG 111 Cb -0.22 -3.13 0.04 0.00 0.52 0.00 0.00 34.95 32.15 3h6r s ARG 111 CO 0.05 0.38 0.29 0.00 0.02 0.00 0.00 175.30 176.04 3h6r s ALA 112 N 0.05 3.42 0.29 2.13 0.00 -0.27 -0.47 121.76 126.91 3h6r s ALA 112 Ca 0.05 -1.82 -0.28 0.00 0.00 0.00 0.00 51.96 49.90 3h6r s ALA 112 Cb -0.12 -2.82 -0.14 0.00 0.00 0.00 0.00 23.12 20.04 3h6r s ALA 112 CO 0.01 -1.50 1.09 -2.30 0.00 0.00 0.00 175.76 173.05 3h6r n PRO 113 N 5.11 1.52 -3.89 0.00 -0.02 -1.26 -4.24 135.00 132.21 3h6r n PRO 113 Ca -0.11 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3h6r n PRO 113 Cb 0.46 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.98 0.03 -0.40 4.25 2.07 -1.26 -5.05 121.20 119.86 3h6r s ILE 114 Ca 0.59 -1.16 0.06 0.00 -1.41 0.00 0.00 60.65 58.73 3h6r s ILE 114 Cb -0.68 -1.85 0.66 0.00 0.13 0.00 0.00 42.46 40.72 3h6r s ILE 114 CO 0.60 -0.14 1.83 0.00 -1.91 0.00 0.00 174.94 175.32 3h6r n GLN 115 N -0.32 2.49 -3.56 3.50 6.02 -1.26 -4.90 117.38 119.36 3h6r n GLN 115 Ca -0.07 -3.05 -0.39 0.00 -0.01 0.00 0.00 57.00 53.48 3h6r n GLN 115 Cb 0.62 -2.13 -0.11 0.00 1.02 0.00 0.00 30.24 29.64 3h6r n GLN 115 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3h6r s ARG 116 N -3.23 3.68 0.46 -1.09 0.52 -1.26 -5.04 118.95 112.99 3h6r s ARG 116 Ca 0.55 -0.51 -0.25 0.00 -0.52 0.00 0.00 55.73 55.00 3h6r s ARG 116 Cb 0.46 -3.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.11 3h6r s ARG 116 CO 0.10 -0.34 1.37 0.08 0.02 0.00 0.00 175.30 176.53 3h6r s VAL 117 N 1.74 2.27 -0.39 3.52 1.01 -1.26 -2.87 120.40 124.42 3h6r s VAL 117 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3h6r s VAL 117 Cb -0.17 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3h6r s VAL 117 CO 0.11 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3h6r n GLY 118 N 0.62 0.57 3.28 4.51 0.00 -1.26 -5.01 105.19 107.89 3h6r n GLY 118 Ca 0.06 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.78 1.74 -0.08 1.61 1.01 -1.14 -0.78 120.40 120.99 3h6r s VAL 119 Ca 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.62 3h6r s VAL 119 Cb 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.85 3h6r s VAL 119 CO 0.00 0.10 -0.12 -0.62 0.00 0.00 0.00 175.10 174.47 3h6r s ASP 120 N -1.51 1.97 -0.22 3.32 3.68 -0.20 -4.83 116.67 118.87 3h6r s ASP 120 Ca 0.08 -0.32 -0.08 0.00 2.13 0.00 0.00 52.55 54.35 3h6r s ASP 120 Cb -0.09 -0.87 -0.04 0.00 -1.45 0.00 0.00 42.92 40.46 3h6r s ASP 120 CO 0.03 -0.00 0.10 -0.69 0.13 0.00 0.00 175.17 174.73 3h6r s VAL 121 N 0.95 4.79 -0.00 1.11 1.01 -1.26 -1.13 120.40 125.87 3h6r s VAL 121 Ca -0.09 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3h6r s VAL 121 Cb -0.15 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3h6r s VAL 121 CO 0.00 0.38 -0.11 -1.61 0.00 0.00 0.00 175.10 173.76 3h6r s GLU 122 N 1.04 0.87 -0.02 2.72 2.02 0.33 -1.11 118.70 124.55 3h6r s GLU 122 Ca 0.05 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 3h6r s GLU 122 Cb -0.14 -0.84 -0.05 0.00 0.10 0.00 0.00 34.13 33.19 3h6r s GLU 122 CO 0.03 0.23 1.47 0.08 0.02 0.00 0.00 175.26 177.09 3h6r s VAL 123 N -0.33 3.66 0.00 2.63 1.01 0.28 -0.67 120.40 126.98 3h6r s VAL 123 Ca 0.04 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3h6r s VAL 123 Cb -0.05 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3h6r s VAL 123 CO -0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3h6r n GLY 124 N 3.79 5.45 3.06 4.51 0.00 0.81 -4.58 105.19 118.23 3h6r n GLY 124 Ca 0.14 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.80 1.16 -0.26 1.61 1.01 -1.26 -1.59 120.40 120.28 3h6r s VAL 125 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3h6r s VAL 125 Cb 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.41 3h6r s VAL 125 CO 0.00 0.35 -0.11 -1.58 0.00 0.00 0.00 175.10 173.76 3h6r s GLN 126 N 0.29 2.36 6.49 2.72 0.74 0.57 -4.90 119.66 127.94 3h6r s GLN 126 Ca -0.07 -1.28 0.00 0.00 0.05 0.00 0.00 55.36 54.06 3h6r s GLN 126 Cb -0.12 -2.89 0.00 0.00 1.10 0.00 0.00 33.01 31.10 3h6r s GLN 126 CO 0.02 -0.53 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 3h6r n GLY 127 N 4.48 1.90 0.28 2.59 0.00 -1.26 -1.86 105.19 111.32 3h6r n GLY 127 Ca -0.15 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.83 3h6r n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h6r n ASN 128 N 10.23 1.80 -4.49 1.61 6.94 -1.26 -4.99 115.26 125.09 3h6r n ASN 128 Ca 0.00 -2.99 -0.33 0.00 -0.02 0.00 0.00 54.58 51.24 3h6r n ASN 128 Cb 0.00 -0.40 -0.13 0.00 -2.36 0.00 0.00 39.78 36.89 3h6r n ASN 128 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3h6r s THR 129 N -2.33 3.20 0.10 5.53 2.01 -0.78 -0.45 115.64 122.93 3h6r s THR 129 Ca 0.28 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 3h6r s THR 129 Cb 0.25 -2.28 -0.06 0.00 0.01 0.00 0.00 72.50 70.43 3h6r s THR 129 CO 0.00 0.59 0.99 -0.76 -0.69 0.00 0.00 174.62 174.75 3h6r s LEU 130 N -0.64 4.48 0.15 4.42 1.02 -0.51 -0.31 118.68 127.29 3h6r s LEU 130 Ca 0.09 1.83 -0.03 0.00 0.02 0.00 0.00 54.13 56.04 3h6r s LEU 130 Cb -0.11 -3.59 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 3h6r s LEU 130 CO 0.01 -0.13 0.13 0.68 0.02 0.00 0.00 176.35 177.06 3h6r s VAL 131 N 0.14 0.08 -0.23 -1.59 -7.23 -0.62 -0.60 120.40 110.35 3h6r s VAL 131 Ca 0.48 -1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.64 3h6r s VAL 131 Cb -0.24 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 3h6r s VAL 131 CO 0.30 -0.34 0.68 -0.31 -0.31 0.00 0.00 175.10 175.12 3h6r s TYR 132 N -4.05 3.32 -0.18 2.82 1.51 -0.30 -0.13 117.35 120.34 3h6r s TYR 132 Ca 0.25 0.94 -0.06 0.00 -1.01 0.00 0.00 57.07 57.19 3h6r s TYR 132 Cb 0.06 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 3h6r s TYR 132 CO 0.03 -0.29 0.02 0.15 -1.11 0.00 0.00 175.55 174.35 3h6r s LYS 133 N 2.38 3.80 -0.17 -0.62 -0.14 0.16 0.23 119.74 125.37 3h6r s LYS 133 Ca 0.29 -0.44 -0.15 0.00 -1.36 0.00 0.00 55.97 54.31 3h6r s LYS 133 Cb -0.16 -3.10 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 3h6r s LYS 133 CO 0.09 0.19 0.36 -0.06 -0.76 0.00 0.00 175.35 175.17 3h6r s PHE 134 N 0.56 3.43 0.08 3.18 0.40 -1.26 -0.51 117.98 123.86 3h6r s PHE 134 Ca 0.01 0.65 0.06 0.00 -0.60 0.00 0.00 56.93 57.04 3h6r s PHE 134 Cb -0.14 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 3h6r s PHE 134 CO 0.02 0.12 -0.15 -0.06 0.70 0.00 0.00 175.22 175.85 3h6r s PHE 135 N 0.84 1.32 0.35 0.36 0.08 -0.28 -4.96 117.98 115.69 3h6r s PHE 135 Ca 0.19 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.55 3h6r s PHE 135 Cb -0.14 -0.73 -0.10 0.00 -0.57 0.00 0.00 43.02 41.48 3h6r s PHE 135 CO 0.07 0.09 0.89 -1.25 -0.10 0.00 0.00 175.22 174.92 3h6r s PRO 136 N -1.88 4.35 -1.18 0.24 0.04 -1.26 -1.03 135.00 134.27 3h6r s PRO 136 Ca 0.01 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 3h6r s PRO 136 Cb -0.09 -2.54 0.15 0.00 0.04 0.00 0.00 34.50 32.05 3h6r s PRO 136 CO 0.03 0.17 1.44 0.08 0.04 0.00 0.00 177.00 178.76 3h6r s VAL 137 N -1.85 4.83 -1.67 -0.36 1.01 0.04 -4.75 120.40 117.65 3h6r s VAL 137 Ca 0.54 -2.35 0.14 0.00 0.00 0.00 0.00 61.98 60.31 3h6r s VAL 137 Cb -0.14 -4.94 0.10 0.00 0.00 0.00 0.00 36.38 31.40 3h6r s VAL 137 CO 0.19 -1.68 0.92 -0.90 0.00 0.00 0.00 175.10 173.63 3h6r n ASP 138 N 6.26 2.09 -0.54 3.32 3.85 -1.26 -4.93 116.55 125.33 3h6r n ASP 138 Ca 0.37 -1.54 -0.07 0.00 -0.71 0.00 0.00 54.79 52.83 3h6r n ASP 138 Cb 0.44 0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.22 3h6r n ASP 138 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h6r n GLY 139 N 0.79 0.89 0.14 6.12 0.00 -1.26 -4.90 105.19 106.97 3h6r n GLY 139 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.61 4.64 -1.93 -3.47 113.55 114.41 3h6r h SER 140 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3h6r h SER 140 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3h6r h SER 140 CO 0.21 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 3h6r n GLY 141 N 0.53 0.55 3.62 -0.77 0.00 -1.26 -5.01 105.19 102.85 3h6r n GLY 141 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 1.64 0.37 -0.02 0.00 -1.26 -4.94 107.32 101.10 3h6r s GLY 142 Ca 0.00 0.32 -0.28 0.00 0.00 0.00 0.00 44.72 44.76 3h6r s GLY 142 CO 0.00 0.83 1.36 -0.35 0.00 0.00 0.00 173.10 174.94 3h6r s ASP 143 N -2.69 6.48 0.08 1.64 2.15 -1.26 -4.95 116.67 118.12 3h6r s ASP 143 Ca 0.67 2.78 0.03 0.00 0.43 0.00 0.00 52.55 56.46 3h6r s ASP 143 Cb -0.23 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.71 3h6r s ASP 143 CO 0.60 -0.75 -0.09 -0.13 -0.17 0.00 0.00 175.17 174.63 3h6r s ARG 144 N -2.04 0.78 0.36 4.34 1.81 -1.26 -4.97 118.95 117.96 3h6r s ARG 144 Ca 0.53 -1.11 -0.25 0.00 -1.72 0.00 0.00 55.73 53.18 3h6r s ARG 144 Cb -0.41 -0.41 -0.10 0.00 -0.45 0.00 0.00 34.95 33.58 3h6r s ARG 144 CO 0.54 0.05 0.97 -1.25 -0.68 0.00 0.00 175.30 174.93 3h6r s PRO 145 N -2.75 4.42 0.34 3.54 0.04 -1.26 -1.00 135.00 138.34 3h6r s PRO 145 Ca 0.03 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 3h6r s PRO 145 Cb -0.03 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 3h6r s PRO 145 CO -0.01 0.13 0.43 0.00 0.04 0.00 0.00 177.00 177.59 3h6r s ALA 146 N -1.75 1.03 -0.03 8.56 0.00 -0.21 -4.66 121.76 124.70 3h6r s ALA 146 Ca 0.54 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3h6r s ALA 146 Cb -0.17 1.23 0.03 0.00 0.00 0.00 0.00 23.12 24.20 3h6r s ALA 146 CO 0.22 -0.76 0.00 -1.58 0.00 0.00 0.00 175.76 173.64 3h6r s TRP 147 N -3.12 0.36 -0.16 0.00 0.52 0.02 -0.30 118.94 116.27 3h6r s TRP 147 Ca 0.33 -0.02 -0.23 0.00 0.02 0.00 0.00 56.10 56.20 3h6r s TRP 147 Cb 0.00 -0.46 -0.02 0.00 -1.15 0.00 0.00 33.47 31.84 3h6r s TRP 147 CO 0.22 -0.15 0.73 0.50 0.02 0.00 0.00 176.95 178.27 3h6r s ARG 148 N 1.15 4.29 -0.34 4.98 3.52 0.26 -1.04 118.95 131.76 3h6r s ARG 148 Ca -0.08 0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 56.21 3h6r s ARG 148 Cb -0.13 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 3h6r s ARG 148 CO -0.02 -0.23 0.37 -0.06 -0.81 0.00 0.00 175.30 174.56 3h6r s PHE 149 N 1.84 3.21 -0.22 5.12 0.08 -0.14 -0.66 117.98 127.21 3h6r s PHE 149 Ca 0.34 0.00 -0.04 0.00 0.12 0.00 0.00 56.93 57.36 3h6r s PHE 149 Cb -0.16 -2.69 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3h6r s PHE 149 CO 0.12 -0.44 -0.04 0.99 -0.10 0.00 0.00 175.22 175.75 3h6r s THR 150 N 2.05 3.39 0.20 0.64 2.01 -0.27 -4.86 115.64 118.80 3h6r s THR 150 Ca 0.12 -0.49 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 3h6r s THR 150 Cb -0.16 -2.54 -0.11 0.00 0.01 0.00 0.00 72.50 69.70 3h6r s THR 150 CO 0.12 0.43 1.59 -0.60 -0.69 0.00 0.00 174.62 175.47 3h6r s ARG 151 N 1.41 4.19 0.00 4.92 6.06 -1.26 -1.62 118.95 132.65 3h6r s ARG 151 Ca 0.05 2.44 0.00 0.00 -2.50 0.00 0.00 55.73 55.72 3h6r s ARG 151 Cb -0.14 -3.11 0.00 0.00 0.06 0.00 0.00 34.95 31.76 3h6r s ARG 151 CO -0.03 -0.62 0.48 0.39 -2.50 0.00 0.00 175.30 173.02