#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9e n LYS 3 N 0.00 1.85 -4.42 4.33 4.81 -1.26 -5.08 118.16 118.39 3i9e n LYS 3 Ca 0.00 -3.75 -0.24 0.00 -0.87 0.00 0.00 58.31 53.44 3i9e n LYS 3 Cb 0.00 -1.70 -0.09 0.00 0.02 0.00 0.00 35.03 33.26 3i9e n LYS 3 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i9e s VAL 4 N -3.63 2.69 -0.13 3.15 0.11 -1.26 -4.23 120.40 117.10 3i9e s VAL 4 Ca 0.37 -2.21 -0.28 0.00 -2.93 0.00 0.00 61.98 56.94 3i9e s VAL 4 Cb 0.40 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.70 3i9e s VAL 4 CO -0.06 -0.34 0.94 0.00 -3.33 0.00 0.00 175.10 172.30 3i9e h GLU 6 N 7.16 0.00 0.00 0.00 5.08 -1.85 0.16 114.58 125.13 3i9e h GLU 6 Ca -0.31 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.72 3i9e h GLU 6 Cb 1.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 3i9e h GLU 6 CO 0.85 0.15 -2.28 -0.89 -1.00 0.00 0.00 179.01 175.84 3i9e n ILE 7 N -3.67 1.28 0.50 3.13 5.41 -1.26 -4.61 119.36 120.15 3i9e n ILE 7 Ca -0.02 -0.66 0.08 0.00 1.00 0.00 0.00 62.75 63.16 3i9e n ILE 7 Cb 0.28 -0.85 -0.11 0.00 -0.71 0.00 0.00 39.64 38.24 3i9e n ILE 7 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3i9e n SER 8 N -2.88 0.86 -0.26 4.38 3.41 -1.23 -4.98 113.62 112.91 3i9e n SER 8 Ca -0.34 -0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 57.67 3i9e n SER 8 Cb 1.03 1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 66.28 3i9e n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9e n GLY 9 N 1.44 0.56 3.67 5.00 0.00 0.56 -4.95 105.19 111.46 3i9e n GLY 9 Ca 0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3i9e n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e s LYS 10 N -1.59 4.23 0.30 1.61 1.02 -1.26 -4.68 119.74 119.37 3i9e s LYS 10 Ca 0.00 2.03 0.09 0.00 0.02 0.00 0.00 55.97 58.12 3i9e s LYS 10 Cb 0.00 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.49 3i9e s LYS 10 CO 0.00 -0.72 0.01 -0.98 -0.92 0.00 0.00 175.35 172.73 3i9e s ARG 11 N 3.27 2.20 0.20 1.68 1.70 -1.26 -1.51 118.95 125.22 3i9e s ARG 11 Ca 0.67 -1.55 -0.32 0.00 -0.47 0.00 0.00 55.73 54.06 3i9e s ARG 11 Cb -0.31 -2.07 -0.12 0.00 -0.57 0.00 0.00 34.95 31.88 3i9e s ARG 11 CO 0.26 0.26 1.73 -0.35 -1.08 0.00 0.00 175.30 176.12 3i9e n PRO 12 N -0.93 2.74 -3.23 3.89 -0.04 -1.26 -4.71 135.00 131.47 3i9e n PRO 12 Ca -0.05 0.99 -0.18 0.00 -0.04 0.00 0.00 63.50 64.22 3i9e n PRO 12 Cb 0.60 -2.84 -0.00 0.00 -0.04 0.00 0.00 33.50 31.22 3i9e n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i9e s ILE 13 N 1.31 3.26 -0.07 0.52 -4.36 -0.36 -4.89 121.20 116.60 3i9e s ILE 13 Ca 0.76 -1.06 -0.00 0.00 -0.26 0.00 0.00 60.65 60.09 3i9e s ILE 13 Cb -0.51 -3.11 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 3i9e s ILE 13 CO 0.33 -0.05 -0.04 -0.69 0.24 0.00 0.00 174.94 174.73 3i9e s VAL 14 N -2.32 3.94 0.28 8.37 1.01 -1.26 -0.34 120.40 130.08 3i9e s VAL 14 Ca 0.51 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 3i9e s VAL 14 Cb -0.09 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3i9e s VAL 14 CO 0.32 0.59 0.45 0.00 0.00 0.00 0.00 175.10 176.45 3i9e s ALA 15 N -0.85 0.19 0.04 5.51 0.00 -0.13 -4.91 121.76 121.60 3i9e s ALA 15 Ca 0.13 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3i9e s ALA 15 Cb -0.11 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 3i9e s ALA 15 CO 0.02 -0.81 0.02 -0.80 0.00 0.00 0.00 175.76 174.19 3i9e s ASN 16 N -3.10 5.18 -0.31 0.00 0.01 -1.26 -1.62 114.94 113.84 3i9e s ASN 16 Ca 0.26 -0.05 -0.09 0.00 -0.71 0.00 0.00 52.86 52.27 3i9e s ASN 16 Cb 0.00 -1.33 -0.00 0.00 0.41 0.00 0.00 41.25 40.32 3i9e s ASN 16 CO 0.13 0.23 0.14 -0.55 -1.51 0.00 0.00 177.10 175.54 3i9e s SER 17 N -1.90 5.47 -0.36 -1.22 0.15 -0.31 -4.95 113.70 110.58 3i9e s SER 17 Ca 0.23 -0.55 -0.03 0.00 0.70 0.00 0.00 55.95 56.30 3i9e s SER 17 Cb -0.12 -1.98 0.08 0.00 -1.71 0.00 0.00 66.02 62.29 3i9e s SER 17 CO 0.14 -0.19 0.12 -0.63 1.20 0.00 0.00 173.24 173.88 3i9e s ILE 18 N 1.59 3.32 -0.18 6.45 1.01 -1.26 -2.25 121.20 129.88 3i9e s ILE 18 Ca 0.04 -1.64 -0.29 0.00 0.00 0.00 0.00 60.65 58.76 3i9e s ILE 18 Cb -0.17 -3.07 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 3i9e s ILE 18 CO 0.06 -0.40 1.07 -1.10 0.00 0.00 0.00 174.94 174.57 3i9e s GLN 19 N 1.24 4.30 -0.02 2.79 -1.52 -0.21 -5.00 119.66 121.24 3i9e s GLN 19 Ca 0.02 1.43 0.07 0.00 -1.95 0.00 0.00 55.36 54.92 3i9e s GLN 19 Cb -0.21 -3.63 -0.02 0.00 -0.22 0.00 0.00 33.01 28.92 3i9e s GLN 19 CO -0.02 -0.56 -0.22 1.03 -0.25 0.00 0.00 175.29 175.28 3i9e s ARG 20 N 2.91 2.19 -0.03 2.91 0.52 -1.26 -1.87 118.95 124.32 3i9e s ARG 20 Ca 0.47 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3i9e s ARG 20 Cb -0.17 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.15 3i9e s ARG 20 CO 0.11 0.57 -0.10 0.50 0.02 0.00 0.00 175.30 176.40 3i9e s ARG 21 N -0.80 1.12 0.00 3.54 3.52 -1.13 -4.95 118.95 120.24 3i9e s ARG 21 Ca 0.11 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 3i9e s ARG 21 Cb -0.10 -1.02 0.00 0.00 -1.56 0.00 0.00 34.95 32.26 3i9e s ARG 21 CO 0.00 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 3i9e n GLY 22 N 3.31 3.13 3.70 8.12 0.00 -1.26 -0.83 105.19 121.35 3i9e n GLY 22 Ca -0.19 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3i9e n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9e s LYS 23 N -2.07 3.54 0.15 1.61 2.20 -1.17 -4.80 119.74 119.20 3i9e s LYS 23 Ca 0.00 -0.32 -0.33 0.00 -0.36 0.00 0.00 55.97 54.95 3i9e s LYS 23 Cb 0.00 -3.06 -0.13 0.00 -1.51 0.00 0.00 37.83 33.13 3i9e s LYS 23 CO 0.00 0.52 1.66 0.00 -0.36 0.00 0.00 175.35 177.17 3i9e n ALA 24 N 2.76 1.78 0.24 3.13 0.00 -1.26 -2.13 120.51 125.02 3i9e n ALA 24 Ca -0.18 0.41 0.11 0.00 0.00 0.00 0.00 53.44 53.78 3i9e n ALA 24 Cb 0.53 -2.43 0.70 0.00 0.00 0.00 0.00 19.45 18.25 3i9e n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i9e h LYS 25 N 6.59 0.00 -1.14 0.00 3.64 -1.84 0.33 116.57 124.15 3i9e h LYS 25 Ca -0.45 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 3i9e h LYS 25 Cb 1.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3i9e h LYS 25 CO 0.91 0.00 0.06 2.89 -2.27 0.00 0.00 179.45 181.04 3i9e n ARG 26 N -4.38 1.11 -0.18 1.90 -4.01 -1.26 -0.89 116.66 108.94 3i9e n ARG 26 Ca -0.01 -0.25 0.00 0.00 -1.04 0.00 0.00 57.85 56.55 3i9e n ARG 26 Cb 0.16 -1.10 0.00 0.00 -3.04 0.00 0.00 32.46 28.48 3i9e n ARG 26 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 3i9e n GLU 27 N 0.51 0.00 -3.00 2.89 1.02 0.10 -5.03 120.64 117.13 3i9e n GLU 27 Ca 0.05 -0.32 -0.11 0.00 -0.02 0.00 0.00 57.16 56.76 3i9e n GLU 27 Cb 0.58 -0.24 0.04 0.00 -0.02 0.00 0.00 31.44 31.81 3i9e n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9e n GLY 28 N 0.00 0.25 2.32 0.62 0.00 -0.07 -4.93 105.19 103.38 3i9e n GLY 28 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 3i9e n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLY 29 N -1.20 3.75 4.50 -0.02 0.00 -1.18 -5.00 105.19 106.03 3i9e n GLY 29 Ca -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3i9e n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9e n VAL 30 N 0.18 0.00 0.00 1.61 0.24 -1.26 -3.84 118.33 115.25 3i9e n VAL 30 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 3i9e n VAL 30 Cb 0.64 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3i9e n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9e n GLY 31 N -0.27 1.25 3.96 7.63 0.00 -0.91 -4.80 105.19 112.06 3i9e n GLY 31 Ca 0.00 -2.25 -0.22 0.00 0.00 0.00 0.00 46.02 43.55 3i9e n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9e s LYS 32 N -1.29 2.88 0.34 1.61 -0.14 -1.24 -3.06 119.74 118.83 3i9e s LYS 32 Ca 0.00 -0.60 0.03 0.00 -1.36 0.00 0.00 55.97 54.05 3i9e s LYS 32 Cb 0.00 -2.53 -0.05 0.00 -1.68 0.00 0.00 37.83 33.57 3i9e s LYS 32 CO 0.00 -0.43 0.10 0.15 -0.76 0.00 0.00 175.35 174.41 3i9e s LYS 33 N -4.63 1.69 -0.21 1.68 -0.14 -0.01 -4.98 119.74 113.14 3i9e s LYS 33 Ca 0.52 -1.97 -0.01 0.00 -1.36 0.00 0.00 55.97 53.15 3i9e s LYS 33 Cb -0.10 -0.59 0.06 0.00 -1.68 0.00 0.00 37.83 35.51 3i9e s LYS 33 CO 0.38 -0.33 -0.01 0.99 -0.76 0.00 0.00 175.35 175.62 3i9e s THR 34 N -3.39 1.02 -0.04 2.17 2.01 -1.26 -2.86 115.64 113.29 3i9e s THR 34 Ca 0.33 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 3i9e s THR 34 Cb 0.06 -1.38 -0.32 0.00 0.01 0.00 0.00 72.50 70.88 3i9e s THR 34 CO 0.15 -0.12 0.79 0.71 -0.69 0.00 0.00 174.62 175.46 3i9e h THR 35 N 6.56 1.17 -4.03 -0.82 1.35 -1.74 -3.48 112.91 111.91 3i9e h THR 35 Ca -0.18 -2.55 -0.11 0.00 -0.55 0.00 0.00 66.41 63.02 3i9e h THR 35 Cb 1.10 2.93 -0.15 0.00 -1.73 0.00 0.00 68.15 70.29 3i9e h THR 35 CO 0.37 0.79 -0.57 -0.83 -0.25 0.00 0.00 175.52 175.03 3i9e s GLY 36 N -4.80 0.30 -0.28 5.82 0.00 -1.23 -5.02 107.32 102.12 3i9e s GLY 36 Ca -0.14 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.61 3i9e s GLY 36 CO 0.86 -1.04 0.57 -0.42 0.00 0.00 0.00 173.10 173.07 3i9e s ILE 37 N -3.57 -0.90 0.19 0.90 1.01 -1.25 -1.05 121.20 116.53 3i9e s ILE 37 Ca 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.71 3i9e s ILE 37 Cb 0.05 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 3i9e s ILE 37 CO -0.09 0.00 0.08 -0.94 0.00 0.00 0.00 174.94 173.99 3i9e s SER 38 N 2.81 0.58 0.47 3.58 1.04 -0.95 -4.94 113.70 116.28 3i9e s SER 38 Ca 0.04 -1.30 -0.09 0.00 0.48 0.00 0.00 55.95 55.08 3i9e s SER 38 Cb -0.13 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 3i9e s SER 38 CO -0.18 -0.74 0.83 -0.54 0.98 0.00 0.00 173.24 173.58 3i9e s LYS 39 N -4.06 3.68 -0.16 4.02 1.02 -1.26 -1.16 119.74 121.81 3i9e s LYS 39 Ca 0.32 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 56.45 3i9e s LYS 39 Cb 0.07 -2.32 0.12 0.00 -0.52 0.00 0.00 37.83 35.18 3i9e s LYS 39 CO 0.08 -0.19 0.98 -0.98 -0.92 0.00 0.00 175.35 174.33 3i9e s ARG 40 N -4.38 0.61 0.24 1.68 1.70 -0.64 -4.84 118.95 113.32 3i9e s ARG 40 Ca 0.51 0.16 0.07 0.00 -0.47 0.00 0.00 55.73 56.00 3i9e s ARG 40 Cb -0.10 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3i9e s ARG 40 CO 0.39 -0.19 0.18 -0.98 -1.08 0.00 0.00 175.30 173.63 3i9e s ARG 41 N -1.07 2.89 -0.31 3.89 3.03 -1.26 -0.96 118.95 125.15 3i9e s ARG 41 Ca -0.02 -1.05 -0.02 0.00 2.03 0.00 0.00 55.73 56.66 3i9e s ARG 41 Cb -0.01 -2.55 0.05 0.00 -1.03 0.00 0.00 34.95 31.42 3i9e s ARG 41 CO 0.02 0.41 0.03 -0.65 -1.13 0.00 0.00 175.30 173.97 3i9e s GLN 42 N -3.75 2.42 0.08 3.89 -0.21 0.54 -4.90 119.66 117.73 3i9e s GLN 42 Ca 0.33 -1.30 -0.24 0.00 0.02 0.00 0.00 55.36 54.17 3i9e s GLN 42 Cb -0.08 -3.25 -0.06 0.00 1.00 0.00 0.00 33.01 30.62 3i9e s GLN 42 CO 0.24 -0.66 0.73 0.71 -2.12 0.00 0.00 175.29 174.19 3i9e s TYR 43 N 1.26 3.80 0.21 0.91 1.51 -1.26 -1.23 117.35 122.56 3i9e s TYR 43 Ca -0.04 1.47 -0.30 0.00 -1.01 0.00 0.00 57.07 57.19 3i9e s TYR 43 Cb -0.20 -2.74 -0.10 0.00 -0.11 0.00 0.00 41.96 38.82 3i9e s TYR 43 CO -0.01 0.40 1.44 -1.25 -1.11 0.00 0.00 175.55 175.03 3i9e s PRO 44 N -0.57 4.28 -0.91 -1.71 0.04 -1.26 -4.82 135.00 130.04 3i9e s PRO 44 Ca 0.36 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.40 3i9e s PRO 44 Cb -0.21 -3.14 -0.19 0.00 0.04 0.00 0.00 34.50 31.00 3i9e s PRO 44 CO 0.23 -0.43 2.26 -1.71 0.04 0.00 0.00 177.00 177.39 3i9e n ASN 45 N 2.81 1.49 -4.78 6.66 5.15 -1.26 -4.89 115.26 120.44 3i9e n ASN 45 Ca 0.08 -1.92 -0.39 0.00 -0.60 0.00 0.00 54.58 51.76 3i9e n ASN 45 Cb 0.40 -1.67 -0.06 0.00 -0.53 0.00 0.00 39.78 37.93 3i9e n ASN 45 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3i9e s LEU 46 N 15.63 4.54 0.02 1.20 2.96 -1.26 -1.73 118.68 140.04 3i9e s LEU 46 Ca 0.87 1.66 -0.09 0.00 -0.22 0.00 0.00 54.13 56.35 3i9e s LEU 46 Cb -0.11 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3i9e s LEU 46 CO 0.14 0.16 0.19 -1.10 -1.32 0.00 0.00 176.35 174.41 3i9e s GLN 47 N -1.36 0.63 -0.17 1.98 -1.52 -0.26 -4.91 119.66 114.05 3i9e s GLN 47 Ca 0.39 -0.53 -0.17 0.00 -1.95 0.00 0.00 55.36 53.10 3i9e s GLN 47 Cb -0.22 0.26 -0.04 0.00 -0.22 0.00 0.00 33.01 32.79 3i9e s GLN 47 CO 0.26 -0.17 0.44 0.15 -0.25 0.00 0.00 175.29 175.71 3i9e s LYS 48 N -2.12 4.24 -0.38 2.91 1.02 -1.26 -0.99 119.74 123.16 3i9e s LYS 48 Ca -0.09 0.31 -0.05 0.00 0.02 0.00 0.00 55.97 56.16 3i9e s LYS 48 Cb -0.03 -3.50 0.08 0.00 -0.52 0.00 0.00 37.83 33.86 3i9e s LYS 48 CO -0.02 0.03 0.17 0.08 -0.92 0.00 0.00 175.35 174.70 3i9e s VAL 49 N 1.08 3.62 -0.52 3.17 1.01 0.49 -4.91 120.40 124.34 3i9e s VAL 49 Ca 0.22 -1.59 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 3i9e s VAL 49 Cb -0.15 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.02 3i9e s VAL 49 CO 0.09 -0.46 0.75 -0.60 0.00 0.00 0.00 175.10 174.88 3i9e s ARG 50 N 1.29 3.20 0.05 2.72 3.52 -1.26 0.32 118.95 128.79 3i9e s ARG 50 Ca 0.03 -0.64 0.09 0.00 -0.13 0.00 0.00 55.73 55.07 3i9e s ARG 50 Cb -0.22 -4.08 -0.03 0.00 -1.56 0.00 0.00 34.95 29.06 3i9e s ARG 50 CO -0.01 -1.32 -0.25 0.08 -0.81 0.00 0.00 175.30 172.99 3i9e s VAL 51 N 3.15 1.99 -0.54 7.11 1.01 0.20 -4.94 120.40 128.39 3i9e s VAL 51 Ca 0.21 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 3i9e s VAL 51 Cb -0.17 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.59 3i9e s VAL 51 CO 0.15 0.31 0.61 -0.60 0.00 0.00 0.00 175.10 175.57 3i9e s ARG 52 N -1.23 3.06 0.32 2.72 6.06 -1.26 0.18 118.95 128.79 3i9e s ARG 52 Ca 0.10 -1.19 0.08 0.00 -2.50 0.00 0.00 55.73 52.22 3i9e s ARG 52 Cb -0.10 -4.18 -0.04 0.00 0.06 0.00 0.00 34.95 30.69 3i9e s ARG 52 CO 0.02 -1.32 0.12 0.08 -2.50 0.00 0.00 175.30 171.70 3i9e s VAL 53 N 2.40 3.22 0.00 7.11 1.01 -0.38 -4.97 120.40 128.79 3i9e s VAL 53 Ca 0.11 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.37 3i9e s VAL 53 Cb -0.23 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3i9e s VAL 53 CO 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 175.10 174.95 3i9e n ALA 54 N -1.10 0.00 -1.00 5.51 0.00 -1.26 -2.77 120.51 119.90 3i9e n ALA 54 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i9e n ALA 54 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i9e n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9e n GLY 55 N 0.00 -0.59 0.00 0.00 0.00 -1.26 -4.92 105.19 98.42 3i9e n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9e n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9e n GLN 56 N 0.00 3.64 -3.10 1.61 0.00 -1.11 -5.08 117.38 113.33 3i9e n GLN 56 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.62 3i9e n GLN 56 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 3i9e n GLN 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 3i9e s GLU 57 N 2.69 4.38 -0.06 2.61 2.12 -1.26 -1.25 118.70 127.93 3i9e s GLU 57 Ca 0.00 0.95 0.01 0.00 0.36 0.00 0.00 54.97 56.30 3i9e s GLU 57 Cb 0.00 -3.16 0.02 0.00 0.26 0.00 0.00 34.13 31.24 3i9e s GLU 57 CO 0.00 0.55 -0.08 0.42 -0.54 0.00 0.00 175.26 175.62 3i9e s ILE 58 N -1.23 0.80 -0.15 -3.70 1.01 0.47 -4.93 121.20 113.47 3i9e s ILE 58 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 3i9e s ILE 58 Cb -0.20 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3i9e s ILE 58 CO 0.23 0.28 -0.02 -0.89 0.00 0.00 0.00 174.94 174.54 3i9e s THR 59 N 0.87 4.05 0.27 2.92 2.01 -1.26 0.63 115.64 125.13 3i9e s THR 59 Ca -0.11 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 61.67 3i9e s THR 59 Cb -0.15 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3i9e s THR 59 CO 0.01 0.50 0.08 -0.36 -0.69 0.00 0.00 174.62 174.16 3i9e s PHE 60 N 0.24 2.85 -0.53 4.92 0.40 0.15 -4.90 117.98 121.10 3i9e s PHE 60 Ca -0.01 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 3i9e s PHE 60 Cb -0.14 -1.31 0.15 0.00 0.51 0.00 0.00 43.02 42.23 3i9e s PHE 60 CO 0.02 0.56 0.32 1.03 0.70 0.00 0.00 175.22 177.85 3i9e s ARG 61 N -3.75 1.77 0.28 0.44 0.52 -1.26 -0.38 118.95 116.56 3i9e s ARG 61 Ca 0.33 -2.55 0.10 0.00 -0.52 0.00 0.00 55.73 53.09 3i9e s ARG 61 Cb -0.07 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 3i9e s ARG 61 CO 0.22 -1.20 -0.06 0.14 0.02 0.00 0.00 175.30 174.42 3i9e s VAL 62 N -0.34 3.10 0.22 3.52 -7.23 -0.16 -2.50 120.40 117.01 3i9e s VAL 62 Ca 0.21 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.02 3i9e s VAL 62 Cb -0.17 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 3i9e s VAL 62 CO -0.06 -0.37 1.24 0.00 -0.31 0.00 0.00 175.10 175.60 3i9e s ALA 63 N -2.39 3.47 0.61 1.32 0.00 -1.26 -1.11 121.76 122.40 3i9e s ALA 63 Ca 0.31 1.05 0.28 0.00 0.00 0.00 0.00 51.96 53.60 3i9e s ALA 63 Cb -0.05 -3.44 1.41 0.00 0.00 0.00 0.00 23.12 21.04 3i9e s ALA 63 CO 0.18 -0.44 1.82 0.00 0.00 0.00 0.00 175.76 177.33 3i9e h ALA 64 N 4.81 2.09 0.00 0.00 0.00 -1.69 0.57 119.26 125.04 3i9e h ALA 64 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i9e h ALA 64 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i9e h ALA 64 CO 0.73 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 3i9e n SER 65 N -3.48 0.00 -0.03 0.00 3.41 -1.26 -2.32 113.62 109.94 3i9e n SER 65 Ca 0.08 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3i9e n SER 65 Cb 0.70 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 3i9e n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3i9e n HIS 66 N -1.49 0.00 -0.02 7.33 -0.00 0.20 -4.82 115.22 116.42 3i9e n HIS 66 Ca 0.03 -0.25 0.24 0.00 -0.00 0.00 0.00 57.72 57.73 3i9e n HIS 66 Cb 0.12 -0.03 0.67 0.00 -0.00 0.00 0.00 29.99 30.75 3i9e n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3i9e h ILE 67 N 1.82 0.28 -0.14 1.59 2.04 -1.24 -1.15 117.51 120.71 3i9e h ILE 67 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 3i9e h ILE 67 Cb 0.81 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3i9e h ILE 67 CO 0.00 0.00 -0.56 -0.65 0.00 0.00 0.00 178.15 176.94 3i9e h PRO 68 N 0.00 0.63 -0.97 2.37 0.11 -1.87 -3.28 132.00 128.99 3i9e h PRO 68 Ca 0.30 -0.49 0.27 0.00 0.11 0.00 0.00 66.00 66.19 3i9e h PRO 68 Cb 1.63 0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.70 3i9e h PRO 68 CO -0.00 1.11 0.50 -0.22 -0.21 0.00 0.00 178.00 179.18 3i9e h LYS 69 N 0.30 0.38 -0.64 1.05 1.63 -1.58 0.70 116.57 118.40 3i9e h LYS 69 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3i9e h LYS 69 Cb 1.20 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.71 3i9e h LYS 69 CO 0.12 0.25 0.42 0.28 -3.45 0.00 0.00 179.45 177.06 3i9e h VAL 70 N 0.39 1.17 -0.10 2.00 2.07 -1.65 -0.58 116.25 119.54 3i9e h VAL 70 Ca 0.66 -0.32 -0.21 0.00 0.82 0.00 0.00 66.70 67.65 3i9e h VAL 70 Cb 1.38 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3i9e h VAL 70 CO -0.57 0.16 -0.76 1.88 0.02 0.00 0.00 177.57 178.30 3i9e h TYR 71 N 0.87 0.97 0.00 1.57 0.99 0.22 0.16 116.97 121.76 3i9e h TYR 71 Ca 0.23 -0.45 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 3i9e h TYR 71 Cb -0.09 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 37.50 3i9e h TYR 71 CO 0.00 1.28 -0.05 1.49 -0.00 0.00 0.00 178.16 180.88 3i9e h GLU 72 N 0.39 0.00 0.09 4.88 4.81 -0.72 -1.29 114.58 122.74 3i9e h GLU 72 Ca -0.07 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.87 3i9e h GLU 72 Cb 1.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 3i9e h GLU 72 CO 0.16 0.05 -1.45 -0.07 -0.73 0.00 0.00 179.01 176.97 3i9e h LEU 73 N 0.00 0.31 -2.71 1.64 3.38 -0.70 -3.23 115.31 114.01 3i9e h LEU 73 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3i9e h LEU 73 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i9e h LEU 73 CO 0.01 1.35 0.00 0.52 0.09 0.00 0.00 178.44 180.40 3i9e n VAL 74 N -3.42 1.43 0.04 1.22 0.31 0.54 -2.85 118.33 115.60 3i9e n VAL 74 Ca -0.13 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3i9e n VAL 74 Cb 1.03 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3i9e n VAL 74 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9e n GLU 75 N 1.19 0.00 -1.48 5.55 -0.58 -1.21 -4.96 120.64 119.16 3i9e n GLU 75 Ca 0.00 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.29 3i9e n GLU 75 Cb 0.44 -0.30 -0.08 0.00 -0.57 0.00 0.00 31.44 30.93 3i9e n GLU 75 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i9e n ARG 76 N -3.14 0.81 -3.80 3.49 3.00 -1.13 -4.87 116.66 111.02 3i9e n ARG 76 Ca 0.00 0.15 -0.28 0.00 -0.01 0.00 0.00 57.85 57.71 3i9e n ARG 76 Cb 0.00 -2.48 -0.16 0.00 0.00 0.00 0.00 32.46 29.81 3i9e n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9e s ALA 77 N 8.92 1.20 0.00 7.54 0.00 -1.26 -5.00 121.76 133.16 3i9e s ALA 77 Ca 1.13 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3i9e s ALA 77 Cb -0.79 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3i9e s ALA 77 CO 0.44 -1.00 0.00 0.36 0.00 0.00 0.00 175.76 175.55 3i9e n LYS 78 N 4.97 0.00 -1.57 0.00 2.85 -1.26 -5.03 118.16 118.13 3i9e n LYS 78 Ca -0.10 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.16 3i9e n LYS 78 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 3i9e n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i9e n GLY 79 N -0.06 -1.92 0.74 2.58 0.00 -1.26 -5.10 105.19 100.17 3i9e n GLY 79 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 3i9e n GLY 79 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i9e n LEU 80 N -0.20 0.00 0.00 0.99 -0.00 -1.26 -5.02 117.00 111.51 3i9e n LEU 80 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 56.01 55.35 3i9e n LEU 80 Cb 0.01 0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 3i9e n LEU 80 CO 0.02 -0.10 0.00 0.29 -0.00 0.00 0.00 177.39 177.61 3i9e n LYS 81 N -0.24 0.00 0.00 1.47 4.01 -1.26 -5.09 118.16 117.06 3i9e n LYS 81 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 3i9e n LYS 81 Cb 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.65 3i9e n LYS 81 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 3i9e n LEU 82 N 0.00 0.00 -5.00 -0.35 -0.00 -1.26 -4.82 117.00 105.57 3i9e n LEU 82 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 3i9e n LEU 82 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 3i9e n LEU 82 CO 0.00 -0.51 0.45 -0.70 -0.00 0.00 0.00 177.39 176.63 3i9e s GLU 83 N -0.00 2.02 0.03 1.47 -6.30 -1.26 -4.85 118.70 109.81 3i9e s GLU 83 Ca 0.00 -1.20 -0.00 0.00 -2.50 0.00 0.00 54.97 51.27 3i9e s GLU 83 Cb 0.00 -2.45 0.07 0.00 0.00 0.00 0.00 34.13 31.74 3i9e s GLU 83 CO 0.00 -1.13 0.16 0.41 0.02 0.00 0.00 175.26 174.72 3i9e n GLY 84 N -2.56 -0.15 3.32 -1.50 0.00 -1.26 -3.36 105.19 99.68 3i9e n GLY 84 Ca 0.14 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3i9e n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9e n LEU 85 N -3.93 5.32 -0.01 0.99 7.99 -1.26 -4.54 117.00 121.57 3i9e n LEU 85 Ca 0.02 -3.89 -0.12 0.00 -0.01 0.00 0.00 56.01 52.01 3i9e n LEU 85 Cb 0.07 -1.70 -0.14 0.00 -0.11 0.00 0.00 43.42 41.54 3i9e n LEU 85 CO -0.01 0.26 -0.56 0.28 -1.51 0.00 0.00 177.39 175.85 3i9e h SER 86 N 7.29 0.12 -0.57 -1.43 0.02 -1.97 -3.41 113.55 113.60 3i9e h SER 86 Ca 0.47 -0.25 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3i9e h SER 86 Cb 0.80 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.22 3i9e h SER 86 CO 1.58 1.22 -0.26 -2.65 -1.14 0.00 0.00 176.83 175.59 3i9e n PRO 87 N -3.17 -0.17 -0.29 3.45 -0.02 -1.26 0.14 135.00 133.67 3i9e n PRO 87 Ca -0.20 0.87 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 3i9e n PRO 87 Cb 1.05 -1.29 0.03 0.00 -0.02 0.00 0.00 33.50 33.26 3i9e n PRO 87 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i9e n LYS 88 N -4.80 -0.19 0.05 -0.52 4.76 -1.26 0.38 118.16 116.59 3i9e n LYS 88 Ca 0.04 1.17 -0.02 0.00 -2.87 0.00 0.00 58.31 56.63 3i9e n LYS 88 Cb 0.20 -1.74 -0.01 0.00 -1.84 0.00 0.00 35.03 31.65 3i9e n LYS 88 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3i9e h GLU 89 N 0.00 -0.13 -0.93 1.97 4.39 0.97 -2.97 114.58 117.88 3i9e h GLU 89 Ca 0.26 0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.24 3i9e h GLU 89 Cb 0.45 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 3i9e h GLU 89 CO -0.75 -0.09 0.89 0.82 -1.16 0.00 0.00 179.01 178.72 3i9e h ILE 90 N -0.16 0.21 -0.09 3.13 1.08 -0.31 -3.19 117.51 118.19 3i9e h ILE 90 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3i9e h ILE 90 Cb 0.10 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 3i9e h ILE 90 CO 0.02 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.65 3i9e n LYS 91 N -3.66 2.42 -0.27 2.37 3.00 1.24 -4.45 118.16 118.82 3i9e n LYS 91 Ca 0.20 0.00 0.25 0.00 -0.00 0.00 0.00 58.31 58.76 3i9e n LYS 91 Cb 1.20 0.00 0.46 0.00 0.00 0.00 0.00 35.03 36.68 3i9e n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i9e n LYS 92 N 0.00 -0.05 -0.14 1.64 3.00 -1.26 0.18 118.16 121.53 3i9e n LYS 92 Ca 0.00 1.16 0.25 0.00 -0.00 0.00 0.00 58.31 59.72 3i9e n LYS 92 Cb 0.00 -2.05 0.41 0.00 0.00 0.00 0.00 35.03 33.39 3i9e n LYS 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3i9e h GLU 93 N 0.00 0.00 -2.89 1.64 4.39 -1.62 0.72 114.58 116.82 3i9e h GLU 93 Ca 0.68 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.69 3i9e h GLU 93 Cb 1.76 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 30.06 3i9e h GLU 93 CO -0.66 0.00 -0.05 1.28 -1.16 0.00 0.00 179.01 178.42 3i9e n LEU 94 N -3.19 4.56 0.00 1.33 4.77 0.49 -4.21 117.00 120.75 3i9e n LEU 94 Ca 0.20 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.93 3i9e n LEU 94 Cb 1.43 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3i9e n LEU 94 CO 0.21 1.75 0.00 0.18 -1.33 0.00 0.00 177.39 178.20 3i9e n LEU 95 N 1.64 0.00 -0.66 2.23 4.77 0.16 -4.93 117.00 120.22 3i9e n LEU 95 Ca 0.25 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 3i9e n LEU 95 Cb 0.37 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.68 3i9e n LEU 95 CO 0.46 0.00 0.67 1.17 -1.33 0.00 0.00 177.39 178.35 3i9e n LYS 96 N 0.00 2.54 -3.75 3.23 4.81 0.20 -4.99 118.16 120.20 3i9e n LYS 96 Ca 0.00 -2.69 -0.36 0.00 -0.87 0.00 0.00 58.31 54.39 3i9e n LYS 96 Cb 0.00 -1.70 -0.10 0.00 0.02 0.00 0.00 35.03 33.25 3i9e n LYS 96 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i9e s LEU 97 N -2.67 3.97 0.00 3.14 1.43 -1.26 -4.98 118.68 118.31 3i9e s LEU 97 Ca 0.37 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3i9e s LEU 97 Cb 0.30 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3i9e s LEU 97 CO 0.08 0.08 0.00 0.18 0.23 0.00 0.00 176.35 176.92