#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s VAL 4 N 0.00 2.37 -0.15 3.15 0.11 -1.26 -4.17 120.40 120.44 2x9s s VAL 4 Ca 0.00 -1.71 -0.29 0.00 -2.93 0.00 0.00 61.98 57.05 2x9s s VAL 4 Cb 0.00 -2.06 -0.01 0.00 -1.53 0.00 0.00 36.38 32.78 2x9s s VAL 4 CO 0.00 0.09 1.19 0.00 -3.33 0.00 0.00 175.10 173.05 2x9s n GLU 6 N 6.20 0.12 0.15 0.00 1.02 -1.08 -2.24 120.64 124.81 2x9s n GLU 6 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2x9s n GLU 6 Cb 0.46 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 2x9s n GLU 6 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2x9s n ILE 7 N -0.69 0.00 0.28 -3.67 -0.00 -1.26 -4.88 119.36 109.13 2x9s n ILE 7 Ca 0.01 0.00 0.15 0.00 -0.00 0.00 0.00 62.75 62.91 2x9s n ILE 7 Cb 0.00 -0.42 0.77 0.00 -0.00 0.00 0.00 39.64 39.99 2x9s n ILE 7 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2x9s h SER 8 N 0.00 0.00 0.00 4.38 4.64 -1.97 -3.46 113.55 117.14 2x9s h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x9s h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2x9s h SER 8 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 2x9s n GLY 9 N -0.45 2.85 3.60 -0.77 0.00 -0.95 -4.98 105.19 104.49 2x9s n GLY 9 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2x9s n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x9s n LYS 10 N -2.00 1.29 -3.86 1.61 5.02 -1.26 -4.52 118.16 114.44 2x9s n LYS 10 Ca 0.00 0.46 -0.10 0.00 -2.02 0.00 0.00 58.31 56.66 2x9s n LYS 10 Cb 0.00 -1.99 -0.06 0.00 -0.02 0.00 0.00 35.03 32.97 2x9s n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2x9s s ARG 11 N -1.95 1.18 0.48 1.97 1.70 -1.26 -1.18 118.95 119.89 2x9s s ARG 11 Ca 0.63 -1.03 -0.22 0.00 -0.47 0.00 0.00 55.73 54.65 2x9s s ARG 11 Cb -0.57 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.13 2x9s s ARG 11 CO 0.57 -0.45 0.75 -0.35 -1.08 0.00 0.00 175.30 174.73 2x9s n PRO 12 N -0.24 0.85 -4.25 3.89 -0.04 -1.26 -4.77 135.00 129.19 2x9s n PRO 12 Ca -0.10 0.31 -0.14 0.00 -0.04 0.00 0.00 63.50 63.54 2x9s n PRO 12 Cb 0.63 -1.81 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 2x9s n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2x9s s ILE 13 N -1.47 0.65 0.01 0.52 -4.36 -0.93 -4.95 121.20 110.68 2x9s s ILE 13 Ca 0.66 -1.98 -0.18 0.00 -0.26 0.00 0.00 60.65 58.89 2x9s s ILE 13 Cb -0.53 -2.19 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 2x9s s ILE 13 CO 0.55 -0.41 0.50 -0.69 0.24 0.00 0.00 174.94 175.14 2x9s s VAL 14 N -3.68 4.93 0.09 8.37 1.01 -1.26 -0.84 120.40 129.02 2x9s s VAL 14 Ca 0.26 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 2x9s s VAL 14 Cb 0.06 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2x9s s VAL 14 CO 0.05 0.51 0.07 0.00 0.00 0.00 0.00 175.10 175.73 2x9s s ALA 15 N -0.72 0.38 0.01 5.51 0.00 0.73 -4.93 121.76 122.75 2x9s s ALA 15 Ca 0.27 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2x9s s ALA 15 Cb -0.18 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2x9s s ALA 15 CO 0.15 -0.45 0.04 -0.80 0.00 0.00 0.00 175.76 174.71 2x9s s ASN 16 N -2.94 5.40 -0.66 0.00 0.01 -1.26 -1.28 114.94 114.21 2x9s s ASN 16 Ca 0.11 0.05 -0.07 0.00 -0.71 0.00 0.00 52.86 52.24 2x9s s ASN 16 Cb 0.07 -1.47 0.17 0.00 0.41 0.00 0.00 41.25 40.43 2x9s s ASN 16 CO -0.07 0.26 0.53 -0.55 -1.51 0.00 0.00 177.10 175.76 2x9s s SER 17 N -1.78 5.80 -0.23 -1.22 0.15 0.04 -4.92 113.70 111.54 2x9s s SER 17 Ca 0.22 -2.65 -0.23 0.00 0.70 0.00 0.00 55.95 54.00 2x9s s SER 17 Cb -0.12 -1.99 -0.01 0.00 -1.71 0.00 0.00 66.02 62.19 2x9s s SER 17 CO 0.14 -0.49 0.73 -0.63 1.20 0.00 0.00 173.24 174.19 2x9s s ILE 18 N 0.23 4.92 -0.28 6.45 1.01 -1.26 -3.01 121.20 129.27 2x9s s ILE 18 Ca 0.15 1.37 -0.13 0.00 0.00 0.00 0.00 60.65 62.04 2x9s s ILE 18 Cb -0.18 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2x9s s ILE 18 CO -0.05 -0.00 0.30 -1.10 0.00 0.00 0.00 174.94 174.09 2x9s s GLN 19 N 2.52 3.95 0.28 2.79 -1.52 -0.55 -5.01 119.66 122.11 2x9s s GLN 19 Ca 0.31 -0.14 0.11 0.00 -1.95 0.00 0.00 55.36 53.69 2x9s s GLN 19 Cb -0.16 -3.67 -0.05 0.00 -0.22 0.00 0.00 33.01 28.91 2x9s s GLN 19 CO 0.09 -0.26 -0.13 1.03 -0.25 0.00 0.00 175.29 175.77 2x9s s ARG 20 N 1.94 1.89 -0.19 2.91 0.52 -1.26 0.15 118.95 124.92 2x9s s ARG 20 Ca 0.12 -1.66 -0.16 0.00 -0.52 0.00 0.00 55.73 53.51 2x9s s ARG 20 Cb -0.16 -1.90 0.05 0.00 0.52 0.00 0.00 34.95 33.46 2x9s s ARG 20 CO 0.10 0.33 0.49 1.03 0.02 0.00 0.00 175.30 177.28 2x9s s ARG 21 N -3.57 0.55 0.00 3.54 0.52 0.63 -4.86 118.95 115.76 2x9s s ARG 21 Ca 0.31 0.74 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 2x9s s ARG 21 Cb -0.05 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.64 2x9s s ARG 21 CO 0.17 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.81 2x9s n GLY 22 N 3.18 3.34 3.71 -3.53 0.00 -1.26 -1.31 105.19 109.33 2x9s n GLY 22 Ca -0.16 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2x9s n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x9s n LYS 23 N 0.13 2.59 -0.50 1.61 5.02 -1.26 -4.42 118.16 121.33 2x9s n LYS 23 Ca 0.00 0.93 -0.28 0.00 -2.02 0.00 0.00 58.31 56.94 2x9s n LYS 23 Cb 0.00 -2.73 0.21 0.00 -0.02 0.00 0.00 35.03 32.49 2x9s n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9s n ALA 24 N 3.17 -3.38 0.10 7.82 0.00 -1.26 -3.11 120.51 123.86 2x9s n ALA 24 Ca 0.14 -1.37 0.11 0.00 0.00 0.00 0.00 53.44 52.32 2x9s n ALA 24 Cb 0.34 -1.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.22 2x9s n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2x9s n LYS 25 N -3.38 0.59 0.00 0.00 4.81 -1.26 -2.39 118.16 116.54 2x9s n LYS 25 Ca 0.05 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2x9s n LYS 25 Cb 0.54 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.96 2x9s n LYS 25 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2x9s n ARG 26 N -2.36 0.00 0.00 1.64 0.63 -1.26 -4.58 116.66 110.73 2x9s n ARG 26 Ca -0.02 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 2x9s n ARG 26 Cb 0.55 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.75 2x9s n ARG 26 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2x9s n GLU 27 N -1.21 0.00 0.00 -0.14 -0.00 -1.25 -5.08 120.64 112.95 2x9s n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2x9s n GLU 27 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.65 2x9s n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2x9s n GLY 28 N 0.00 0.00 0.00 -1.84 0.00 -1.26 -4.83 105.19 97.26 2x9s n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2x9s n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9s n GLY 29 N 0.00 -1.01 4.50 -0.02 0.00 -1.00 -5.00 105.19 102.65 2x9s n GLY 29 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2x9s n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2x9s n VAL 30 N -0.11 0.00 0.00 1.61 0.24 -1.26 -4.40 118.33 114.41 2x9s n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2x9s n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2x9s n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x9s n GLY 31 N 0.00 2.20 3.90 7.63 0.00 -1.18 -4.88 105.19 112.86 2x9s n GLY 31 Ca 0.00 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 2x9s n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9s s LYS 32 N -1.72 2.80 -0.06 1.61 -0.14 -1.25 -4.15 119.74 116.83 2x9s s LYS 32 Ca 0.00 0.21 -0.04 0.00 -1.36 0.00 0.00 55.97 54.77 2x9s s LYS 32 Cb 0.00 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.04 2x9s s LYS 32 CO 0.00 -0.94 0.15 0.15 -0.76 0.00 0.00 175.35 173.96 2x9s s LYS 33 N -5.21 0.15 -0.47 1.68 -0.14 -0.42 -4.93 119.74 110.39 2x9s s LYS 33 Ca 0.57 0.28 -0.22 0.00 -1.36 0.00 0.00 55.97 55.24 2x9s s LYS 33 Cb -0.11 -0.01 0.03 0.00 -1.68 0.00 0.00 37.83 36.06 2x9s s LYS 33 CO 0.48 -0.08 0.75 0.99 -0.76 0.00 0.00 175.35 176.74 2x9s s THR 34 N 0.50 4.69 0.16 2.17 2.01 -1.26 -0.27 115.64 123.64 2x9s s THR 34 Ca -0.03 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 2x9s s THR 34 Cb -0.05 -4.32 -0.11 0.00 0.01 0.00 0.00 72.50 68.03 2x9s s THR 34 CO -0.02 -0.77 1.42 0.00 -0.69 0.00 0.00 174.62 174.56 2x9s h THR 35 N 5.94 1.35 -1.19 -0.82 1.03 -0.62 -3.48 112.91 115.12 2x9s h THR 35 Ca -0.26 -2.06 0.18 0.00 -0.01 0.00 0.00 66.41 64.27 2x9s h THR 35 Cb 1.09 2.03 -0.29 0.00 -1.07 0.00 0.00 68.15 69.91 2x9s h THR 35 CO 0.96 0.63 0.81 -0.83 -0.01 0.00 0.00 175.52 177.08 2x9s s GLY 36 N -4.25 0.12 0.07 2.99 0.00 -1.18 -5.01 107.32 100.06 2x9s s GLY 36 Ca -0.07 2.97 0.05 0.00 0.00 0.00 0.00 44.72 47.67 2x9s s GLY 36 CO 0.85 1.50 -0.04 -0.42 0.00 0.00 0.00 173.10 174.99 2x9s s ILE 37 N -0.49 3.79 -0.03 0.90 1.01 -1.26 -1.48 121.20 123.64 2x9s s ILE 37 Ca 0.06 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 2x9s s ILE 37 Cb -0.03 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 39.70 2x9s s ILE 37 CO -0.09 0.19 0.30 -0.44 0.00 0.00 0.00 174.94 174.89 2x9s s SER 38 N -2.06 -0.20 0.14 3.58 0.01 -1.16 -4.95 113.70 109.06 2x9s s SER 38 Ca 0.23 0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.38 2x9s s SER 38 Cb -0.11 0.36 -0.07 0.00 0.21 0.00 0.00 66.02 66.40 2x9s s SER 38 CO 0.15 -0.39 0.77 -0.75 0.41 0.00 0.00 173.24 173.43 2x9s s LYS 39 N -1.10 4.55 0.11 12.44 2.47 -1.26 -0.78 119.74 136.16 2x9s s LYS 39 Ca -0.12 1.14 -0.24 0.00 -1.56 0.00 0.00 55.97 55.19 2x9s s LYS 39 Cb -0.05 -3.28 0.07 0.00 -1.46 0.00 0.00 37.83 33.10 2x9s s LYS 39 CO 0.03 0.52 0.59 -0.98 0.16 0.00 0.00 175.35 175.67 2x9s s ARG 40 N -0.94 1.20 0.46 4.03 1.04 -0.40 -4.92 118.95 119.42 2x9s s ARG 40 Ca 0.36 -0.36 0.05 0.00 -1.04 0.00 0.00 55.73 54.74 2x9s s ARG 40 Cb -0.23 0.55 0.02 0.00 -2.04 0.00 0.00 34.95 33.25 2x9s s ARG 40 CO 0.26 -0.49 0.64 1.03 -0.04 0.00 0.00 175.30 176.69 2x9s s ARG 41 N -3.24 2.77 -0.22 3.89 0.52 -1.26 -0.19 118.95 121.22 2x9s s ARG 41 Ca -0.01 -1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 54.16 2x9s s ARG 41 Cb -0.01 -2.65 0.07 0.00 0.52 0.00 0.00 34.95 32.88 2x9s s ARG 41 CO -0.08 -0.40 0.08 -0.65 0.02 0.00 0.00 175.30 174.26 2x9s s GLN 42 N -4.50 0.40 0.56 3.54 -0.21 -0.02 -4.80 119.66 114.63 2x9s s GLN 42 Ca 0.54 -0.42 -0.08 0.00 0.02 0.00 0.00 55.36 55.42 2x9s s GLN 42 Cb -0.10 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.03 2x9s s GLN 42 CO 0.35 -0.76 0.92 0.71 -2.12 0.00 0.00 175.29 174.39 2x9s s TYR 43 N 1.95 3.56 0.21 0.91 1.51 -1.26 -2.18 117.35 122.06 2x9s s TYR 43 Ca 0.03 1.02 -0.27 0.00 -1.01 0.00 0.00 57.07 56.84 2x9s s TYR 43 Cb -0.17 -2.55 -0.09 0.00 -0.11 0.00 0.00 41.96 39.05 2x9s s TYR 43 CO -0.16 -0.54 0.86 -2.14 -1.11 0.00 0.00 175.55 172.46 2x9s s PRO 44 N -4.98 4.68 -0.71 -1.71 0.02 -1.26 -4.91 135.00 126.12 2x9s s PRO 44 Ca 0.52 1.30 -0.06 0.00 0.02 0.00 0.00 61.00 62.77 2x9s s PRO 44 Cb -0.11 -3.21 -0.14 0.00 0.02 0.00 0.00 34.50 31.07 2x9s s PRO 44 CO 0.49 0.52 2.75 -1.71 -0.33 0.00 0.00 177.00 178.72 2x9s n ASN 45 N 1.41 5.69 -4.83 2.53 4.05 -1.26 -4.90 115.26 117.95 2x9s n ASN 45 Ca -0.03 -2.37 -0.33 0.00 0.45 0.00 0.00 54.58 52.30 2x9s n ASN 45 Cb 0.48 -1.24 -0.06 0.00 1.23 0.00 0.00 39.78 40.19 2x9s n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 2x9s s LEU 46 N 0.07 3.84 0.00 1.20 -0.00 -1.26 -1.64 118.68 120.89 2x9s s LEU 46 Ca 0.54 1.60 0.00 0.00 -0.00 0.00 0.00 54.13 56.28 2x9s s LEU 46 Cb 0.19 -4.48 0.00 0.00 -0.00 0.00 0.00 46.19 41.90 2x9s s LEU 46 CO -0.03 -0.43 0.00 0.00 -0.00 0.00 0.00 176.35 175.90 2x9s n GLN 47 N -0.96 1.59 -4.10 1.48 1.13 0.18 -4.88 117.38 111.82 2x9s n GLN 47 Ca 0.06 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.98 2x9s n GLN 47 Cb 0.54 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.76 2x9s n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2x9s s LYS 48 N 2.41 0.42 -0.20 -1.09 3.01 -1.25 -1.78 119.74 121.26 2x9s s LYS 48 Ca 0.00 -0.36 -0.04 0.00 -1.01 0.00 0.00 55.97 54.56 2x9s s LYS 48 Cb 0.00 -0.32 0.07 0.00 -1.01 0.00 0.00 37.83 36.56 2x9s s LYS 48 CO 0.00 0.08 0.08 0.08 0.51 0.00 0.00 175.35 176.10 2x9s s VAL 49 N -0.55 0.16 0.08 3.17 1.01 0.35 -4.93 120.40 119.69 2x9s s VAL 49 Ca -0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2x9s s VAL 49 Cb -0.05 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 2x9s s VAL 49 CO -0.00 -0.33 0.42 -0.13 0.00 0.00 0.00 175.10 175.06 2x9s s ARG 50 N 2.02 3.79 -0.29 2.72 0.52 -1.26 -0.43 118.95 126.01 2x9s s ARG 50 Ca 0.02 0.23 -0.14 0.00 -0.52 0.00 0.00 55.73 55.32 2x9s s ARG 50 Cb -0.16 -3.00 0.13 0.00 0.52 0.00 0.00 34.95 32.44 2x9s s ARG 50 CO -0.13 0.56 0.83 0.54 0.02 0.00 0.00 175.30 177.12 2x9s s VAL 51 N -1.39 -0.44 0.00 3.52 0.11 -0.97 -4.99 120.40 116.25 2x9s s VAL 51 Ca 0.33 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 2x9s s VAL 51 Cb -0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2x9s s VAL 51 CO 0.18 0.00 0.05 0.54 -3.33 0.00 0.00 175.10 172.54 2x9s n ARG 52 N 4.71 0.00 -2.76 1.54 5.12 -1.23 -4.33 116.66 119.71 2x9s n ARG 52 Ca -0.14 0.05 -0.05 0.00 -1.93 0.00 0.00 57.85 55.79 2x9s n ARG 52 Cb 0.54 -0.26 0.01 0.00 -1.16 0.00 0.00 32.46 31.59 2x9s n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2x9s n VAL 53 N -0.19 -9.84 -4.23 1.55 0.31 -1.26 -3.46 118.33 101.21 2x9s n VAL 53 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 2x9s n VAL 53 Cb 0.00 -6.83 0.00 0.00 -0.91 0.00 0.00 33.84 26.10 2x9s n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2x9s n ALA 54 N -0.76 0.00 0.91 3.52 0.00 -1.26 -4.06 120.51 118.86 2x9s n ALA 54 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2x9s n ALA 54 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2x9s n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 55 N 0.00 0.22 0.00 0.00 0.00 -1.26 -4.81 105.19 99.34 2x9s n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2x9s n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2x9s n GLN 56 N -0.13 0.36 -0.01 1.61 1.13 -1.26 -5.09 117.38 114.00 2x9s n GLN 56 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 2x9s n GLN 56 Cb 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.43 2x9s n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2x9s n GLU 57 N 0.00 0.04 -1.65 -1.09 2.13 -1.23 -4.18 120.64 114.66 2x9s n GLU 57 Ca 0.00 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2x9s n GLU 57 Cb 0.00 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 30.72 2x9s n GLU 57 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2x9s n ILE 58 N -2.60 -2.35 -4.25 6.31 -5.35 -1.26 -2.29 119.36 107.56 2x9s n ILE 58 Ca -0.03 0.93 -0.32 0.00 -0.27 0.00 0.00 62.75 63.06 2x9s n ILE 58 Cb 0.53 -1.31 -0.09 0.00 -1.74 0.00 0.00 39.64 37.03 2x9s n ILE 58 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2x9s s THR 59 N -1.13 4.10 -0.16 7.28 -4.23 -1.26 -2.64 115.64 117.59 2x9s s THR 59 Ca 0.00 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2x9s s THR 59 Cb 0.00 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 71.00 2x9s s THR 59 CO 0.00 0.31 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.87 2x9s s PHE 60 N -1.14 2.42 -0.51 3.99 0.08 0.42 -4.93 117.98 118.32 2x9s s PHE 60 Ca 0.21 -1.41 -0.18 0.00 0.12 0.00 0.00 56.93 55.67 2x9s s PHE 60 Cb -0.12 -1.73 0.07 0.00 -0.57 0.00 0.00 43.02 40.67 2x9s s PHE 60 CO 0.12 -0.73 0.59 0.50 -0.10 0.00 0.00 175.22 175.60 2x9s s ARG 61 N 1.40 3.08 0.03 0.44 3.00 -1.26 0.13 118.95 125.78 2x9s s ARG 61 Ca 0.05 -1.06 0.00 0.00 -1.00 0.00 0.00 55.73 53.72 2x9s s ARG 61 Cb -0.13 -4.13 -0.03 0.00 0.00 0.00 0.00 34.95 30.66 2x9s s ARG 61 CO -0.12 -1.23 -0.04 0.54 0.00 0.00 0.00 175.30 174.45 2x9s s VAL 62 N 2.42 0.22 0.88 7.11 0.11 -0.73 -2.63 120.40 127.79 2x9s s VAL 62 Ca 0.12 -1.17 -0.13 0.00 -2.93 0.00 0.00 61.98 57.87 2x9s s VAL 62 Cb -0.21 -0.64 0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2x9s s VAL 62 CO 0.10 -0.61 0.64 0.00 -3.33 0.00 0.00 175.10 171.90 2x9s n ALA 63 N 1.19 -1.80 0.25 1.54 0.00 -1.26 -0.64 120.51 119.78 2x9s n ALA 63 Ca -0.21 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.59 2x9s n ALA 63 Cb 0.56 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 2x9s n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9s h ALA 64 N -1.30 -0.63 0.00 0.00 0.00 -1.65 -2.86 119.26 112.83 2x9s h ALA 64 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2x9s h ALA 64 Cb 1.29 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2x9s h ALA 64 CO 0.38 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 177.76 2x9s n SER 65 N -5.28 0.91 0.00 0.00 3.41 -1.26 -2.20 113.62 109.20 2x9s n SER 65 Ca -0.11 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 2x9s n SER 65 Cb 0.30 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2x9s n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2x9s n HIS 66 N 0.31 0.00 -0.31 7.33 -0.00 -1.17 -4.85 115.22 116.53 2x9s n HIS 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2x9s n HIS 66 Cb 0.19 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.23 2x9s n HIS 66 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2x9s n ILE 67 N -0.53 -0.41 -0.24 1.59 5.41 -0.93 0.11 119.36 124.35 2x9s n ILE 67 Ca 0.00 1.88 0.05 0.00 1.00 0.00 0.00 62.75 65.68 2x9s n ILE 67 Cb 0.00 -2.51 0.16 0.00 -0.71 0.00 0.00 39.64 36.58 2x9s n ILE 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2x9s h PRO 68 N 0.00 0.19 -0.85 0.38 0.13 -1.89 0.28 132.00 130.24 2x9s h PRO 68 Ca 0.30 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.56 2x9s h PRO 68 Cb 0.50 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.53 2x9s h PRO 68 CO -0.81 0.13 0.55 -0.22 -0.23 0.00 0.00 178.00 177.42 2x9s h LYS 69 N 0.20 0.59 -0.87 0.86 1.63 -0.70 0.94 116.57 119.23 2x9s h LYS 69 Ca 0.40 -0.04 0.13 0.00 -0.85 0.00 0.00 60.65 60.30 2x9s h LYS 69 Cb 0.69 -0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 32.10 2x9s h LYS 69 CO -0.55 0.39 0.48 0.28 -3.45 0.00 0.00 179.45 176.60 2x9s h VAL 70 N 0.61 0.80 -0.13 2.00 2.07 -0.31 -1.44 116.25 119.85 2x9s h VAL 70 Ca 0.42 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.51 2x9s h VAL 70 Cb 0.75 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2x9s h VAL 70 CO -0.18 0.13 -0.64 1.88 0.02 0.00 0.00 177.57 178.78 2x9s h TYR 71 N 0.72 0.90 0.00 1.57 -1.99 -0.85 -2.42 116.97 114.89 2x9s h TYR 71 Ca 0.45 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2x9s h TYR 71 Cb 0.57 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.16 2x9s h TYR 71 CO -0.07 1.21 0.00 -1.91 -0.00 0.00 0.00 178.16 177.39 2x9s n GLU 72 N -4.08 0.24 -0.04 4.88 0.00 -0.61 -0.90 120.64 120.13 2x9s n GLU 72 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.04 2x9s n GLU 72 Cb 0.68 -1.20 -0.06 0.00 0.00 0.00 0.00 31.44 30.85 2x9s n GLU 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2x9s n LEU 73 N -0.70 0.33 0.03 4.31 7.94 -0.75 -3.61 117.00 124.55 2x9s n LEU 73 Ca 0.02 -0.01 0.12 0.00 -1.11 0.00 0.00 56.01 55.03 2x9s n LEU 73 Cb 0.01 0.14 0.48 0.00 0.53 0.00 0.00 43.42 44.58 2x9s n LEU 73 CO 0.02 0.25 0.87 0.52 -1.11 0.00 0.00 177.39 177.94 2x9s n VAL 74 N -2.36 0.48 -0.08 1.96 0.31 -0.08 -1.48 118.33 117.09 2x9s n VAL 74 Ca -0.14 0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.17 2x9s n VAL 74 Cb 0.76 -0.73 -0.03 0.00 -0.91 0.00 0.00 33.84 32.92 2x9s n VAL 74 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2x9s n GLU 75 N -1.71 0.47 0.14 5.55 4.07 -0.82 -3.62 120.64 124.72 2x9s n GLU 75 Ca 0.05 0.54 0.19 0.00 -0.06 0.00 0.00 57.16 57.88 2x9s n GLU 75 Cb 0.29 -1.71 0.78 0.00 -0.06 0.00 0.00 31.44 30.75 2x9s n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2x9s h ARG 76 N -1.00 0.00 0.15 5.31 3.08 -1.61 -2.01 114.38 118.30 2x9s h ARG 76 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2x9s h ARG 76 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2x9s h ARG 76 CO -0.03 0.00 -0.10 0.00 -1.07 0.00 0.00 179.97 178.77 2x9s h ALA 77 N 1.64 -0.96 0.00 0.04 0.00 -1.40 -3.31 119.26 115.28 2x9s h ALA 77 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2x9s h ALA 77 Cb 0.79 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2x9s h ALA 77 CO -0.00 -0.95 0.00 1.17 0.00 0.00 0.00 179.25 179.47 2x9s n LYS 78 N -2.79 0.00 -1.17 0.00 4.81 -0.75 -2.36 118.16 115.90 2x9s n LYS 78 Ca -0.03 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.02 2x9s n LYS 78 Cb 0.10 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.11 2x9s n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2x9s n GLY 79 N -0.24 2.97 0.00 3.14 0.00 -1.25 -4.72 105.19 105.10 2x9s n GLY 79 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2x9s n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2x9s n LEU 80 N 6.65 0.00 -4.62 0.99 0.00 -0.99 -5.13 117.00 113.89 2x9s n LEU 80 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 56.11 2x9s n LEU 80 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.69 2x9s n LEU 80 CO 0.96 0.00 0.15 -0.75 0.00 0.00 0.00 177.39 177.76 2x9s s LYS 81 N -1.73 4.07 -0.20 1.96 2.20 -1.26 -5.05 119.74 119.73 2x9s s LYS 81 Ca 0.00 0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.76 2x9s s LYS 81 Cb 0.00 -3.63 0.08 0.00 -1.51 0.00 0.00 37.83 32.76 2x9s s LYS 81 CO 0.00 -0.27 0.15 -0.48 -0.36 0.00 0.00 175.35 174.39 2x9s s LEU 82 N 2.05 0.18 0.00 5.43 -0.00 -1.26 -5.13 118.68 119.95 2x9s s LEU 82 Ca 0.19 -0.54 0.00 0.00 -0.00 0.00 0.00 54.13 53.77 2x9s s LEU 82 Cb -0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 46.19 46.03 2x9s s LEU 82 CO 0.09 -0.35 0.00 -0.62 -0.00 0.00 0.00 176.35 175.47 2x9s n GLU 83 N 5.29 0.19 -0.89 1.48 4.71 -1.26 -4.71 120.64 125.46 2x9s n GLU 83 Ca -0.06 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.20 2x9s n GLU 83 Cb 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.86 2x9s n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2x9s n GLY 84 N 0.24 -3.02 3.57 0.62 0.00 -1.26 -4.24 105.19 101.10 2x9s n GLY 84 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 2x9s n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x9s s LEU 85 N -6.07 2.82 -0.37 0.99 1.43 -1.26 -4.50 118.68 111.72 2x9s s LEU 85 Ca 0.00 -0.73 0.13 0.00 -1.03 0.00 0.00 54.13 52.50 2x9s s LEU 85 Cb 0.00 -2.57 0.41 0.00 0.03 0.00 0.00 46.19 44.06 2x9s s LEU 85 CO 0.00 -3.73 1.15 -1.54 0.23 0.00 0.00 176.35 172.45 2x9s n SER 86 N 17.12 -0.46 0.19 2.29 3.41 -1.26 -4.93 113.62 129.98 2x9s n SER 86 Ca 0.43 -2.68 0.04 0.00 -0.26 0.00 0.00 58.87 56.41 2x9s n SER 86 Cb 0.46 0.38 0.39 0.00 -0.26 0.00 0.00 64.21 65.17 2x9s n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2x9s h PRO 87 N 2.52 0.00 -0.19 4.33 0.13 -1.92 0.77 132.00 137.64 2x9s h PRO 87 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.75 2x9s h PRO 87 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 2x9s h PRO 87 CO 0.20 0.36 -0.69 -0.22 -0.23 0.00 0.00 178.00 177.42 2x9s h LYS 88 N 0.00 0.79 -0.31 0.86 3.64 -1.97 -3.02 116.57 116.56 2x9s h LYS 88 Ca -0.00 -0.59 -0.18 0.00 -1.27 0.00 0.00 60.65 58.62 2x9s h LYS 88 Cb 0.70 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2x9s h LYS 88 CO 0.05 1.20 -0.50 0.93 -2.27 0.00 0.00 179.45 178.86 2x9s h GLU 89 N 0.56 0.86 -0.39 1.90 5.08 -1.73 -0.11 114.58 120.75 2x9s h GLU 89 Ca -0.03 -0.51 0.06 0.00 -1.00 0.00 0.00 59.36 57.88 2x9s h GLU 89 Cb 1.31 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 2x9s h GLU 89 CO 0.14 1.15 -0.46 0.82 -1.00 0.00 0.00 179.01 179.67 2x9s h ILE 90 N 0.67 0.09 -0.13 3.13 1.08 0.55 2.20 117.51 125.09 2x9s h ILE 90 Ca 0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 2x9s h ILE 90 Cb 1.09 0.09 -0.07 0.00 -3.07 0.00 0.00 36.82 34.87 2x9s h ILE 90 CO 0.11 0.00 -0.36 0.50 -0.69 0.00 0.00 178.15 177.71 2x9s h LYS 91 N -0.36 -0.42 -0.82 2.37 3.64 -1.39 0.44 116.57 120.03 2x9s h LYS 91 Ca 0.12 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.64 2x9s h LYS 91 Cb 0.59 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.38 2x9s h LYS 91 CO -0.57 -0.28 -0.44 -0.22 -2.27 0.00 0.00 179.45 175.67 2x9s h LYS 92 N -0.44 -0.09 0.63 1.90 1.63 0.16 -2.20 116.57 118.15 2x9s h LYS 92 Ca 0.09 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2x9s h LYS 92 Cb 0.58 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2x9s h LYS 92 CO -0.38 -0.06 -0.38 0.93 -3.45 0.00 0.00 179.45 176.12 2x9s h GLU 93 N -0.09 -0.92 -5.49 1.90 4.39 0.47 -3.39 114.58 111.45 2x9s h GLU 93 Ca 0.24 0.06 -0.56 0.00 0.34 0.00 0.00 59.36 59.45 2x9s h GLU 93 Cb 0.55 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 2x9s h GLU 93 CO -0.85 -0.61 1.61 1.28 -1.16 0.00 0.00 179.01 179.27 2x9s n LEU 94 N -5.52 1.30 0.00 1.33 4.77 0.01 -4.47 117.00 114.43 2x9s n LEU 94 Ca -0.13 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2x9s n LEU 94 Cb 0.41 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2x9s n LEU 94 CO 0.35 -0.96 0.00 0.18 -1.33 0.00 0.00 177.39 175.63 2x9s n LEU 95 N 11.51 0.00 0.00 2.23 7.99 -1.26 -4.91 117.00 132.55 2x9s n LEU 95 Ca 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.52 2x9s n LEU 95 Cb 0.21 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 2x9s n LEU 95 CO 0.83 0.00 0.00 1.17 -1.51 0.00 0.00 177.39 177.88