#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m n THR 2 N 0.00 0.24 -0.10 0.00 -1.04 -1.26 -4.57 114.28 107.54 3i1m n THR 2 Ca 0.00 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 3i1m n THR 2 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3i1m n THR 2 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 3i1m h VAL 3 N 0.78 0.80 -0.92 12.58 -1.51 -2.04 0.59 116.25 126.53 3i1m h VAL 3 Ca -0.15 -0.06 0.19 0.00 -1.23 0.00 0.00 66.70 65.45 3i1m h VAL 3 Cb 0.49 0.61 -0.11 0.00 -2.13 0.00 0.00 31.29 30.15 3i1m h VAL 3 CO 0.21 0.03 0.49 -1.13 -1.23 0.00 0.00 177.57 175.94 3i1m h ASN 4 N 0.17 0.57 0.08 4.19 -1.24 -2.00 -0.71 115.58 116.63 3i1m h ASN 4 Ca 0.17 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 3i1m h ASN 4 Cb 0.21 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3i1m h ASN 4 CO -0.24 0.17 -0.04 1.56 -1.29 0.00 0.00 177.43 177.59 3i1m h GLN 5 N 0.60 -0.10 -0.45 6.67 4.20 -1.45 -2.68 115.11 121.91 3i1m h GLN 5 Ca 0.54 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.38 3i1m h GLN 5 Cb 0.89 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 3i1m h GLN 5 CO -0.42 0.10 0.32 -0.07 -0.67 0.00 0.00 178.83 178.09 3i1m h LEU 6 N -0.28 0.01 -1.05 1.46 4.07 0.20 -1.83 115.31 117.88 3i1m h LEU 6 Ca -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 3i1m h LEU 6 Cb 0.24 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 3i1m h LEU 6 CO 0.02 0.00 -0.14 0.58 -1.08 0.00 0.00 178.44 177.82 3i1m h VAL 7 N 0.01 1.24 0.11 1.22 2.07 -0.82 -1.45 116.25 118.62 3i1m h VAL 7 Ca 0.21 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3i1m h VAL 7 Cb 0.84 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3i1m h VAL 7 CO -0.00 0.35 -0.05 0.03 0.02 0.00 0.00 177.57 177.91 3i1m h ARG 8 N 0.48 -0.15 -4.01 1.57 3.08 -1.32 -3.41 114.38 110.62 3i1m h ARG 8 Ca 0.09 0.01 -0.74 0.00 0.07 0.00 0.00 59.98 59.41 3i1m h ARG 8 Cb 0.52 0.03 -0.29 0.00 0.08 0.00 0.00 29.97 30.31 3i1m h ARG 8 CO 0.03 -0.10 -0.25 0.21 -1.07 0.00 0.00 179.97 178.79 3i1m s LYS 9 N -1.99 2.82 0.58 0.04 2.20 -0.84 -5.08 119.74 117.47 3i1m s LYS 9 Ca -0.02 -2.10 -0.19 0.00 -0.36 0.00 0.00 55.97 53.30 3i1m s LYS 9 Cb 0.00 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 3i1m s LYS 9 CO 0.07 -1.23 1.21 -1.25 -0.36 0.00 0.00 175.35 173.79 3i1m s PRO 10 N 0.78 3.06 0.57 4.03 0.04 -0.55 -4.31 135.00 138.63 3i1m s PRO 10 Ca 0.11 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.78 3i1m s PRO 10 Cb -0.21 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3i1m s PRO 10 CO -0.03 -1.13 1.24 0.54 0.04 0.00 0.00 177.00 177.66 3i1m n ARG 11 N -1.46 1.39 -3.91 4.56 1.74 -1.26 -5.03 116.66 112.69 3i1m n ARG 11 Ca 0.13 0.52 -0.12 0.00 -0.77 0.00 0.00 57.85 57.61 3i1m n ARG 11 Cb 0.49 -2.45 -0.14 0.00 -1.02 0.00 0.00 32.46 29.35 3i1m n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1m s ALA 12 N -1.35 0.05 0.21 7.54 0.00 -1.26 -5.15 121.76 121.81 3i1m s ALA 12 Ca 0.74 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.35 3i1m s ALA 12 Cb -0.42 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.63 3i1m s ALA 12 CO 0.47 -0.01 0.82 0.50 0.00 0.00 0.00 175.76 177.55 3i1m s ARG 13 N -0.20 4.58 0.03 0.00 6.06 -1.26 -5.01 118.95 123.14 3i1m s ARG 13 Ca -0.02 1.20 -0.30 0.00 -2.50 0.00 0.00 55.73 54.11 3i1m s ARG 13 Cb -0.01 -3.14 -0.06 0.00 0.06 0.00 0.00 34.95 31.80 3i1m s ARG 13 CO -0.00 0.49 1.44 -1.59 -2.50 0.00 0.00 175.30 173.14 3i1m s LYS 14 N -1.42 4.27 0.96 5.12 -2.85 -1.26 -5.00 119.74 119.56 3i1m s LYS 14 Ca 0.40 2.04 -0.12 0.00 -1.00 0.00 0.00 55.97 57.29 3i1m s LYS 14 Cb -0.22 -3.54 0.16 0.00 -2.06 0.00 0.00 37.83 32.18 3i1m s LYS 14 CO 0.26 -0.58 1.09 0.08 0.10 0.00 0.00 175.35 176.30 3i1m s VAL 15 N 2.27 2.42 -0.21 1.79 1.01 -1.26 -5.01 120.40 121.42 3i1m s VAL 15 Ca 0.65 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.79 3i1m s VAL 15 Cb -0.33 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3i1m s VAL 15 CO 0.28 -0.18 -0.17 0.00 0.00 0.00 0.00 175.10 175.03 3i1m s ALA 16 N -2.79 2.41 -0.09 5.51 0.00 -1.26 -5.10 121.76 120.45 3i1m s ALA 16 Ca 0.65 -1.40 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 3i1m s ALA 16 Cb -0.20 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 3i1m s ALA 16 CO 0.59 -0.62 0.71 -1.59 0.00 0.00 0.00 175.76 174.85 3i1m s LYS 17 N 1.23 4.40 0.71 0.00 0.00 -1.26 -5.05 119.74 119.77 3i1m s LYS 17 Ca 0.01 0.88 -0.12 0.00 0.00 0.00 0.00 55.97 56.73 3i1m s LYS 17 Cb -0.15 -3.47 0.02 0.00 0.00 0.00 0.00 37.83 34.23 3i1m s LYS 17 CO -0.10 -0.01 1.09 -1.54 0.00 0.00 0.00 175.35 174.78 3i1m s SER 18 N 0.88 4.96 -0.30 0.03 1.04 -1.26 -4.92 113.70 114.12 3i1m s SER 18 Ca 0.37 1.83 0.05 0.00 0.48 0.00 0.00 55.95 58.68 3i1m s SER 18 Cb -0.17 -2.52 0.54 0.00 0.10 0.00 0.00 66.02 63.96 3i1m s SER 18 CO 0.17 -1.73 1.64 -3.20 0.98 0.00 0.00 173.24 171.09 3i1m n ASN 19 N -3.01 3.86 -2.76 7.02 5.15 -1.26 -4.46 115.26 119.79 3i1m n ASN 19 Ca 0.09 -3.09 -0.05 0.00 -0.60 0.00 0.00 54.58 50.93 3i1m n ASN 19 Cb 0.53 -0.73 0.01 0.00 -0.53 0.00 0.00 39.78 39.06 3i1m n ASN 19 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3i1m n VAL 20 N -0.43 -0.01 0.68 3.44 0.24 -1.26 -4.89 118.33 116.09 3i1m n VAL 20 Ca 0.39 -1.09 0.11 0.00 -2.04 0.00 0.00 64.34 61.72 3i1m n VAL 20 Cb 1.29 1.04 0.27 0.00 -1.47 0.00 0.00 33.84 34.96 3i1m n VAL 20 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3i1m n PRO 21 N 2.77 2.21 -1.53 7.34 -0.02 -1.26 -4.79 135.00 139.72 3i1m n PRO 21 Ca 0.17 -1.82 -0.39 0.00 -2.02 0.00 0.00 63.50 59.44 3i1m n PRO 21 Cb 0.57 -1.46 -0.07 0.00 -0.02 0.00 0.00 33.50 32.52 3i1m n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1m n ALA 22 N 1.05 0.73 0.00 3.55 0.00 -1.26 -4.68 120.51 119.89 3i1m n ALA 22 Ca 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3i1m n ALA 22 Cb 0.50 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.05 3i1m n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1m n LEU 23 N 13.80 0.00 0.00 0.00 7.94 -1.26 -4.51 117.00 132.97 3i1m n LEU 23 Ca 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 3i1m n LEU 23 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.33 3i1m n LEU 23 CO 0.77 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.43 3i1m n GLU 24 N 0.00 0.00 -3.53 1.96 1.02 -1.26 -3.48 120.64 115.35 3i1m n GLU 24 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 3i1m n GLU 24 Cb 0.00 -3.02 0.01 0.00 -0.02 0.00 0.00 31.44 28.41 3i1m n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1m n ALA 25 N 0.77 -2.65 -2.48 0.62 0.00 -1.26 -4.99 120.51 110.52 3i1m n ALA 25 Ca 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 3i1m n ALA 25 Cb 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 17.87 3i1m n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m h PRO 27 N 2.14 0.00 -1.26 0.00 0.11 -1.95 -3.46 132.00 127.58 3i1m h PRO 27 Ca -0.41 0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.06 3i1m h PRO 27 Cb 1.24 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 3i1m h PRO 27 CO 0.70 0.16 0.90 1.14 -0.21 0.00 0.00 178.00 180.69 3i1m s GLN 28 N -4.36 0.23 0.01 1.05 0.00 -1.26 -4.83 119.66 110.50 3i1m s GLN 28 Ca -0.03 -0.13 -0.01 0.00 -0.00 0.00 0.00 55.36 55.19 3i1m s GLN 28 Cb 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 33.01 33.22 3i1m s GLN 28 CO 0.64 -0.11 0.00 0.15 0.00 0.00 0.00 175.29 175.97 3i1m s LYS 29 N -2.25 0.24 0.03 9.60 1.02 -0.73 -4.99 119.74 122.66 3i1m s LYS 29 Ca 0.15 -0.40 -0.22 0.00 0.02 0.00 0.00 55.97 55.52 3i1m s LYS 29 Cb 0.06 0.09 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 3i1m s LYS 29 CO -0.05 -0.04 0.65 0.50 -0.92 0.00 0.00 175.35 175.48 3i1m s ARG 30 N -1.02 4.36 0.10 1.68 3.52 -1.26 -0.65 118.95 125.69 3i1m s ARG 30 Ca -0.11 0.85 0.02 0.00 -0.13 0.00 0.00 55.73 56.36 3i1m s ARG 30 Cb -0.07 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 3i1m s ARG 30 CO -0.00 0.41 0.09 0.41 -0.81 0.00 0.00 175.30 175.39 3i1m n GLY 31 N 2.25 3.66 0.00 8.12 0.00 -0.72 -1.26 105.19 117.24 3i1m n GLY 31 Ca -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3i1m n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1m n VAL 32 N -0.19 0.00 -2.81 1.61 0.31 0.14 -2.10 118.33 115.28 3i1m n VAL 32 Ca 0.02 -0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3i1m n VAL 32 Cb 0.18 1.07 -0.00 0.00 -0.91 0.00 0.00 33.84 34.19 3i1m n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1m h THR 34 N 4.81 0.00 -4.20 0.00 2.02 -1.58 -3.39 112.91 110.57 3i1m h THR 34 Ca -0.01 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.60 3i1m h THR 34 Cb 0.02 0.00 -0.30 0.00 -1.74 0.00 0.00 68.15 66.13 3i1m h THR 34 CO 0.00 0.00 -0.84 -0.13 0.37 0.00 0.00 175.52 174.92 3i1m s ARG 35 N -5.36 1.62 -0.28 6.66 1.81 -1.19 -4.78 118.95 117.43 3i1m s ARG 35 Ca -0.15 -0.65 -0.08 0.00 -1.72 0.00 0.00 55.73 53.13 3i1m s ARG 35 Cb 0.03 -1.51 -0.01 0.00 -0.45 0.00 0.00 34.95 33.01 3i1m s ARG 35 CO 0.49 0.35 0.10 0.08 -0.68 0.00 0.00 175.30 175.63 3i1m s VAL 36 N -0.27 4.29 0.30 3.52 1.01 -1.26 -1.85 120.40 126.14 3i1m s VAL 36 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3i1m s VAL 36 Cb -0.09 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 3i1m s VAL 36 CO 0.00 0.16 0.09 -1.22 0.00 0.00 0.00 175.10 174.14 3i1m n TYR 37 N 4.92 0.20 -3.79 5.22 0.53 -1.12 -5.00 117.16 118.12 3i1m n TYR 37 Ca -0.15 -1.86 -0.13 0.00 -1.02 0.00 0.00 57.90 54.74 3i1m n TYR 37 Cb 0.49 -0.04 -0.11 0.00 -1.03 0.00 0.00 39.34 38.66 3i1m n TYR 37 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 3i1m s THR 38 N -2.60 0.02 0.05 -0.72 -4.23 -1.26 -1.68 115.64 105.22 3i1m s THR 38 Ca 0.13 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 3i1m s THR 38 Cb 0.01 -0.42 -0.00 0.00 1.34 0.00 0.00 72.50 73.42 3i1m s THR 38 CO 0.09 -0.09 0.05 0.35 -0.54 0.00 0.00 174.62 174.48 3i1m n THR 39 N 2.49 0.00 -4.40 3.99 -2.24 -0.07 -4.89 114.28 109.16 3i1m n THR 39 Ca -0.15 -0.37 -0.28 0.00 -2.27 0.00 0.00 64.05 60.98 3i1m n THR 39 Cb 0.57 0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 3i1m n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i1m s THR 40 N -2.24 2.27 0.00 4.28 -4.23 -1.26 0.22 115.64 114.67 3i1m s THR 40 Ca 0.06 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3i1m s THR 40 Cb 0.00 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.82 3i1m s THR 40 CO 0.04 0.02 0.00 -0.81 -0.54 0.00 0.00 174.62 173.33 3i1m n PRO 41 N 0.71 0.99 -2.88 3.99 -0.04 -1.26 -4.90 135.00 131.61 3i1m n PRO 41 Ca -0.16 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.89 3i1m n PRO 41 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 3i1m n PRO 41 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i1m s LYS 42 N -1.75 4.55 0.00 0.54 1.02 -0.25 -4.86 119.74 118.99 3i1m s LYS 42 Ca 0.00 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.19 3i1m s LYS 42 Cb 0.00 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 3i1m s LYS 42 CO 0.00 0.18 0.00 1.63 -0.92 0.00 0.00 175.35 176.24 3i1m n LYS 43 N 3.10 0.00 -0.06 1.68 4.01 -1.26 -2.20 118.16 123.43 3i1m n LYS 43 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 3i1m n LYS 43 Cb 0.50 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.01 3i1m n LYS 43 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3i1m h PRO 44 N 0.00 0.02 -7.58 1.97 0.13 -2.02 -3.43 132.00 121.09 3i1m h PRO 44 Ca 0.00 -0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 3i1m h PRO 44 Cb 0.00 -0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 3i1m h PRO 44 CO 0.00 0.01 0.35 -0.80 -0.23 0.00 0.00 178.00 177.33 3i1m s ASN 45 N -5.22 3.60 -0.27 1.44 0.02 -0.93 -5.10 114.94 108.48 3i1m s ASN 45 Ca -0.13 0.77 -0.24 0.00 -1.02 0.00 0.00 52.86 52.23 3i1m s ASN 45 Cb 0.11 -1.21 0.09 0.00 0.02 0.00 0.00 41.25 40.26 3i1m s ASN 45 CO 0.69 -2.47 0.81 -0.55 0.02 0.00 0.00 177.10 175.60 3i1m s SER 46 N -4.34 -0.68 0.00 -1.22 0.15 -1.26 -4.65 113.70 101.71 3i1m s SER 46 Ca 0.65 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.58 3i1m s SER 46 Cb -0.11 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 3i1m s SER 46 CO 0.52 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.74 3i1m n ALA 47 N 2.70 0.00 -3.53 5.45 0.00 -1.26 -5.00 120.51 118.86 3i1m n ALA 47 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 3i1m n ALA 47 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 3i1m n ALA 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1m n LEU 48 N 0.00 1.91 -4.75 0.00 7.94 -1.26 -4.25 117.00 116.59 3i1m n LEU 48 Ca 0.00 -4.99 -0.41 0.00 -1.11 0.00 0.00 56.01 49.50 3i1m n LEU 48 Cb 0.00 -0.19 -0.04 0.00 0.53 0.00 0.00 43.42 43.73 3i1m n LEU 48 CO 0.00 1.91 0.86 -0.13 -1.11 0.00 0.00 177.39 178.92 3i1m s ARG 49 N -1.33 4.53 -0.07 1.96 3.00 0.13 -4.71 118.95 122.46 3i1m s ARG 49 Ca 0.32 1.87 -0.20 0.00 0.00 0.00 0.00 55.73 57.72 3i1m s ARG 49 Cb 0.06 -3.22 -0.04 0.00 0.00 0.00 0.00 34.95 31.75 3i1m s ARG 49 CO -0.13 0.00 0.56 0.15 0.00 0.00 0.00 175.30 175.89 3i1m s LYS 50 N -0.69 4.34 0.01 3.54 3.01 -1.26 -0.89 119.74 127.80 3i1m s LYS 50 Ca 0.50 0.64 0.00 0.00 -1.01 0.00 0.00 55.97 56.10 3i1m s LYS 50 Cb -0.33 -3.40 -0.00 0.00 -1.01 0.00 0.00 37.83 33.09 3i1m s LYS 50 CO 0.39 0.22 0.01 1.33 0.51 0.00 0.00 175.35 177.81 3i1m n VAL 51 N 3.35 0.00 -3.33 3.17 0.24 -0.68 -2.16 118.33 118.92 3i1m n VAL 51 Ca -0.06 -0.09 0.02 0.00 -2.04 0.00 0.00 64.34 62.17 3i1m n VAL 51 Cb 0.51 0.04 -0.04 0.00 -1.47 0.00 0.00 33.84 32.89 3i1m n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1m s ARG 53 N 2.37 4.17 -0.21 0.00 0.52 -0.77 -0.43 118.95 124.59 3i1m s ARG 53 Ca -0.02 2.49 -0.04 0.00 -0.52 0.00 0.00 55.73 57.65 3i1m s ARG 53 Cb -0.05 -3.01 0.10 0.00 0.52 0.00 0.00 34.95 32.52 3i1m s ARG 53 CO -0.17 -0.49 0.31 0.08 0.02 0.00 0.00 175.30 175.05 3i1m s VAL 54 N -0.82 -0.48 0.04 3.52 1.01 0.13 -1.75 120.40 122.07 3i1m s VAL 54 Ca 0.55 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 3i1m s VAL 54 Cb -0.45 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3i1m s VAL 54 CO 0.57 -0.10 1.09 -0.60 0.00 0.00 0.00 175.10 176.06 3i1m s ARG 55 N 2.45 4.50 0.48 2.72 3.52 -1.26 -1.99 118.95 129.37 3i1m s ARG 55 Ca 0.08 1.61 -0.00 0.00 -0.13 0.00 0.00 55.73 57.28 3i1m s ARG 55 Cb -0.15 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 3i1m s ARG 55 CO -0.13 -0.13 0.71 -0.51 -0.81 0.00 0.00 175.30 174.42 3i1m s LEU 56 N 0.93 3.55 0.29 -0.88 1.43 0.74 0.25 118.68 124.98 3i1m s LEU 56 Ca 0.55 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.90 3i1m s LEU 56 Cb -0.26 -3.14 0.41 0.00 0.03 0.00 0.00 46.19 43.23 3i1m s LEU 56 CO 0.29 -0.81 1.87 0.00 0.23 0.00 0.00 176.35 177.94 3i1m h THR 57 N 0.29 1.22 0.00 5.49 1.03 -1.49 -2.37 112.91 117.08 3i1m h THR 57 Ca -0.45 -0.66 0.00 0.00 -0.01 0.00 0.00 66.41 65.29 3i1m h THR 57 Cb 1.26 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 3i1m h THR 57 CO 0.57 0.27 0.00 -0.46 -0.01 0.00 0.00 175.52 175.88 3i1m n ASN 58 N -4.32 0.00 0.00 0.00 6.94 -1.26 -4.89 115.26 111.73 3i1m n ASN 58 Ca 0.06 -1.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 3i1m n ASN 58 Cb 0.16 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 3i1m n ASN 58 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1m n GLY 59 N 0.64 2.29 3.73 4.83 0.00 -0.89 -5.00 105.19 110.80 3i1m n GLY 59 Ca 0.15 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3i1m n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1m n PHE 60 N 0.00 2.17 -4.02 1.61 3.01 -1.26 -4.64 117.46 114.33 3i1m n PHE 60 Ca 0.00 0.43 -0.33 0.00 1.01 0.00 0.00 57.45 58.56 3i1m n PHE 60 Cb 0.00 -2.34 -0.15 0.00 -0.01 0.00 0.00 39.48 36.99 3i1m n PHE 60 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3i1m s GLU 61 N -2.94 2.43 0.05 -1.08 2.12 -1.26 -0.18 118.70 117.83 3i1m s GLU 61 Ca 0.73 -1.23 0.05 0.00 0.36 0.00 0.00 54.97 54.88 3i1m s GLU 61 Cb -0.41 -2.94 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3i1m s GLU 61 CO 0.48 -0.53 -0.15 0.54 -0.54 0.00 0.00 175.26 175.06 3i1m s VAL 62 N 1.18 1.18 0.19 3.70 0.11 -0.84 -4.86 120.40 121.06 3i1m s VAL 62 Ca -0.06 -1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 57.62 3i1m s VAL 62 Cb -0.19 -1.07 -0.08 0.00 -1.53 0.00 0.00 36.38 33.51 3i1m s VAL 62 CO -0.05 -0.01 1.07 0.28 -3.33 0.00 0.00 175.10 173.06 3i1m s THR 63 N -0.92 3.92 0.20 5.04 -1.32 -1.26 -0.69 115.64 120.62 3i1m s THR 63 Ca 0.02 1.70 0.07 0.00 -1.21 0.00 0.00 61.69 62.27 3i1m s THR 63 Cb -0.08 -4.09 -0.05 0.00 -1.51 0.00 0.00 72.50 66.77 3i1m s THR 63 CO 0.02 0.31 -0.12 -0.55 -2.21 0.00 0.00 174.62 172.06 3i1m s SER 64 N -0.28 2.39 0.05 8.08 0.15 0.43 -4.16 113.70 120.36 3i1m s SER 64 Ca 0.48 -1.04 -0.12 0.00 0.70 0.00 0.00 55.95 55.97 3i1m s SER 64 Cb -0.29 -0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 63.86 3i1m s SER 64 CO 0.35 -0.23 0.40 -0.47 1.20 0.00 0.00 173.24 174.48 3i1m s TYR 65 N -3.07 3.64 -0.56 3.44 6.14 0.09 -0.56 117.35 126.46 3i1m s TYR 65 Ca 0.22 0.86 -0.01 0.00 0.64 0.00 0.00 57.07 58.78 3i1m s TYR 65 Cb 0.01 -2.20 0.15 0.00 0.42 0.00 0.00 41.96 40.33 3i1m s TYR 65 CO 0.06 0.57 0.36 0.42 0.64 0.00 0.00 175.55 177.60 3i1m s ILE 66 N -1.28 3.40 0.94 3.14 1.01 -0.92 -1.46 121.20 126.04 3i1m s ILE 66 Ca 0.29 -2.87 -0.12 0.00 0.00 0.00 0.00 60.65 57.95 3i1m s ILE 66 Cb -0.15 -3.26 0.15 0.00 0.01 0.00 0.00 42.46 39.21 3i1m s ILE 66 CO 0.16 -0.83 1.10 -0.83 0.00 0.00 0.00 174.94 174.54 3i1m s GLY 67 N 0.69 1.59 0.00 6.18 0.00 -1.26 -4.73 107.32 109.79 3i1m s GLY 67 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.61 3i1m s GLY 67 CO -0.03 0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.96 3i1m n GLY 68 N -1.32 0.23 3.43 0.20 0.00 -1.26 -4.82 105.19 101.65 3i1m n GLY 68 Ca 0.06 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 3i1m n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i1m s GLU 69 N -2.08 3.11 0.00 1.61 2.02 -1.26 -4.94 118.70 117.16 3i1m s GLU 69 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.00 3i1m s GLU 69 Cb 0.00 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.08 3i1m s GLU 69 CO 0.00 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.35 3i1m n GLY 70 N 5.21 2.14 3.57 -1.39 0.00 -1.26 -4.41 105.19 109.04 3i1m n GLY 70 Ca -0.07 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 3i1m n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i1m s HIS 71 N -1.06 -0.30 0.00 1.61 -3.43 -1.26 -4.76 115.29 106.08 3i1m s HIS 71 Ca 0.00 0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 3i1m s HIS 71 Cb 0.00 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 3i1m s HIS 71 CO 0.00 -0.34 0.00 0.27 -2.00 0.00 0.00 174.74 172.67 3i1m n ASN 72 N 0.38 0.00 -2.48 7.38 6.94 -1.26 -5.03 115.26 121.18 3i1m n ASN 72 Ca -0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.47 3i1m n ASN 72 Cb 0.59 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.00 3i1m n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3i1m n LEU 73 N 0.00 -3.62 0.00 -4.53 7.99 -1.26 -5.04 117.00 110.54 3i1m n LEU 73 Ca 0.00 1.56 0.00 0.00 -0.01 0.00 0.00 56.01 57.56 3i1m n LEU 73 Cb 0.00 -2.13 0.00 0.00 -0.11 0.00 0.00 43.42 41.18 3i1m n LEU 73 CO 0.00 -2.58 0.00 0.00 -1.51 0.00 0.00 177.39 173.30 3i1m n GLN 74 N 2.09 0.00 0.00 3.23 0.00 -1.26 -4.90 117.38 116.54 3i1m n GLN 74 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.93 3i1m n GLN 74 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.35 3i1m n GLN 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3i1m n GLU 75 N 0.00 0.00 0.00 2.61 -0.58 -1.26 -4.10 120.64 117.31 3i1m n GLU 75 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1m n GLU 75 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i1m n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3i1m n HIS 76 N 0.00 0.00 -1.26 -0.32 8.25 -1.26 -4.54 115.22 116.09 3i1m n HIS 76 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i1m n HIS 76 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i1m n HIS 76 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i1m n SER 77 N 0.00 -5.42 -4.56 0.41 7.64 -1.26 -4.30 113.62 106.13 3i1m n SER 77 Ca 0.00 0.67 -0.40 0.00 1.01 0.00 0.00 58.87 60.15 3i1m n SER 77 Cb 0.00 -2.96 -0.09 0.00 -1.01 0.00 0.00 64.21 60.15 3i1m n SER 77 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i1m s VAL 78 N -0.30 5.18 0.33 0.44 1.01 -1.26 -4.24 120.40 121.56 3i1m s VAL 78 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3i1m s VAL 78 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3i1m s VAL 78 CO 0.00 -0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.40 3i1m n ILE 79 N 5.20 0.00 -3.62 2.22 -5.35 -0.89 -0.72 119.36 116.19 3i1m n ILE 79 Ca -0.09 -1.57 -0.29 0.00 -0.27 0.00 0.00 62.75 60.53 3i1m n ILE 79 Cb 0.50 0.31 -0.13 0.00 -1.74 0.00 0.00 39.64 38.58 3i1m n ILE 79 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3i1m s LEU 80 N 0.00 1.99 0.49 7.28 2.96 -1.26 -1.76 118.68 128.38 3i1m s LEU 80 Ca 0.00 -2.36 -0.22 0.00 -0.22 0.00 0.00 54.13 51.33 3i1m s LEU 80 Cb -0.00 -0.78 -0.06 0.00 0.50 0.00 0.00 46.19 45.85 3i1m s LEU 80 CO 0.00 -0.30 1.23 -0.51 -1.32 0.00 0.00 176.35 175.46 3i1m s ILE 81 N 0.75 2.74 0.00 6.68 2.07 0.18 -1.94 121.20 131.68 3i1m s ILE 81 Ca 0.17 0.56 0.00 0.00 -1.41 0.00 0.00 60.65 59.97 3i1m s ILE 81 Cb -0.23 -3.28 0.00 0.00 0.13 0.00 0.00 42.46 39.08 3i1m s ILE 81 CO -0.02 -0.01 0.00 -1.14 -1.91 0.00 0.00 174.94 171.86 3i1m n ARG 82 N -0.69 2.54 0.00 3.50 0.63 0.14 -1.78 116.66 121.00 3i1m n ARG 82 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3i1m n ARG 82 Cb 0.47 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.65 3i1m n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1m n GLY 83 N 1.40 1.03 0.00 5.14 0.00 -1.26 -4.78 105.19 106.72 3i1m n GLY 83 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3i1m n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1m n GLY 84 N 1.04 2.00 2.28 -0.02 0.00 -1.01 -3.78 105.19 105.70 3i1m n GLY 84 Ca 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 3i1m n GLY 84 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1m n ARG 85 N 2.49 0.19 -3.22 1.61 1.85 -1.25 -2.18 116.66 116.16 3i1m n ARG 85 Ca 0.00 -1.59 -0.23 0.00 -1.00 0.00 0.00 57.85 55.03 3i1m n ARG 85 Cb 0.00 -0.39 -0.07 0.00 -1.05 0.00 0.00 32.46 30.95 3i1m n ARG 85 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3i1m n VAL 86 N -2.25 -0.84 -1.71 8.89 0.31 -1.13 -4.90 118.33 116.71 3i1m n VAL 86 Ca 0.10 -3.35 -0.33 0.00 -0.01 0.00 0.00 64.34 60.75 3i1m n VAL 86 Cb 0.35 -1.37 -0.04 0.00 -0.91 0.00 0.00 33.84 31.87 3i1m n VAL 86 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3i1m s LYS 87 N -0.34 2.17 0.00 5.55 -2.85 -1.26 0.47 119.74 123.48 3i1m s LYS 87 Ca 0.34 0.97 0.00 0.00 -1.00 0.00 0.00 55.97 56.28 3i1m s LYS 87 Cb 0.10 -4.60 0.00 0.00 -2.06 0.00 0.00 37.83 31.27 3i1m s LYS 87 CO -0.16 -3.34 0.00 -3.47 0.10 0.00 0.00 175.35 168.48 3i1m n ASP 88 N 15.48 0.00 -4.19 0.03 4.64 -1.26 -4.95 116.55 126.30 3i1m n ASP 88 Ca 0.35 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 53.35 3i1m n ASP 88 Cb 0.52 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.53 3i1m n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3i1m s LEU 89 N 0.00 5.78 0.16 -2.67 2.01 0.18 -1.09 118.68 123.05 3i1m s LEU 89 Ca 0.00 -2.53 -0.31 0.00 0.01 0.00 0.00 54.13 51.30 3i1m s LEU 89 Cb 0.00 -1.99 -0.08 0.00 0.01 0.00 0.00 46.19 44.12 3i1m s LEU 89 CO 0.00 -0.52 1.37 -2.84 1.01 0.00 0.00 176.35 175.37 3i1m s PRO 90 N 0.42 4.34 0.00 1.29 0.02 -1.26 -2.43 135.00 137.37 3i1m s PRO 90 Ca 0.14 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3i1m s PRO 90 Cb -0.19 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3i1m s PRO 90 CO -0.04 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 3i1m n GLY 91 N 2.96 3.10 3.59 0.52 0.00 -1.26 -5.04 105.19 109.06 3i1m n GLY 91 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3i1m n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1m s VAL 92 N -2.74 4.77 0.00 1.61 1.01 -1.02 -4.79 120.40 119.24 3i1m s VAL 92 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.83 3i1m s VAL 92 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3i1m s VAL 92 CO 0.00 -0.39 0.62 0.54 0.00 0.00 0.00 175.10 175.87 3i1m n ARG 93 N 6.32 0.71 -3.93 2.72 1.74 -1.26 -2.82 116.66 120.15 3i1m n ARG 93 Ca 0.02 -0.81 -0.09 0.00 -0.77 0.00 0.00 57.85 56.21 3i1m n ARG 93 Cb 0.48 -0.88 -0.08 0.00 -1.02 0.00 0.00 32.46 30.96 3i1m n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i1m s TYR 94 N -0.37 0.24 0.29 -1.55 2.02 -0.92 -2.40 117.35 114.66 3i1m s TYR 94 Ca 0.00 -0.67 0.10 0.00 -0.37 0.00 0.00 57.07 56.13 3i1m s TYR 94 Cb 0.00 -0.15 -0.05 0.00 -0.40 0.00 0.00 41.96 41.36 3i1m s TYR 94 CO 0.00 -0.47 -0.06 -1.01 -1.57 0.00 0.00 175.55 172.45 3i1m s HIS 95 N -3.60 2.53 -0.87 2.71 3.76 -1.25 -0.73 115.29 117.85 3i1m s HIS 95 Ca 0.03 -0.32 -0.00 0.00 -0.15 0.00 0.00 55.06 54.62 3i1m s HIS 95 Cb 0.04 -1.22 0.24 0.00 1.11 0.00 0.00 32.58 32.75 3i1m s HIS 95 CO -0.09 0.61 0.86 0.25 -0.85 0.00 0.00 174.74 175.51 3i1m n THR 96 N -0.83 3.14 0.00 1.30 -2.24 -0.53 0.27 114.28 115.38 3i1m n THR 96 Ca -0.05 -5.23 0.00 0.00 -2.27 0.00 0.00 64.05 56.49 3i1m n THR 96 Cb 0.60 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 3i1m n THR 96 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i1m n VAL 97 N 1.88 0.00 -1.74 2.28 0.31 -0.82 -4.75 118.33 115.50 3i1m n VAL 97 Ca 0.24 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.15 3i1m n VAL 97 Cb 0.37 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.27 3i1m n VAL 97 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1m s ARG 98 N 0.00 4.15 0.00 5.55 1.81 -1.26 -2.74 118.95 126.46 3i1m s ARG 98 Ca 0.00 2.54 0.00 0.00 -1.72 0.00 0.00 55.73 56.55 3i1m s ARG 98 Cb 0.00 -4.04 0.00 0.00 -0.45 0.00 0.00 34.95 30.46 3i1m s ARG 98 CO 0.00 -0.92 0.00 0.41 -0.68 0.00 0.00 175.30 174.11 3i1m n GLY 99 N 4.42 1.17 3.22 -3.53 0.00 -0.46 -2.92 105.19 107.10 3i1m n GLY 99 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3i1m n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m s ALA 100 N -2.00 1.70 0.00 4.61 0.00 -1.11 -4.91 121.76 120.05 3i1m s ALA 100 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3i1m s ALA 100 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3i1m s ALA 100 CO 0.00 0.41 0.00 1.28 0.00 0.00 0.00 175.76 177.45 3i1m n LEU 101 N 2.52 0.00 -0.51 0.00 4.32 -1.26 -2.21 117.00 119.85 3i1m n LEU 101 Ca -0.15 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 55.91 3i1m n LEU 101 Cb 0.53 0.00 0.24 0.00 -1.62 0.00 0.00 43.42 42.57 3i1m n LEU 101 CO 0.24 0.00 0.68 0.47 -1.22 0.00 0.00 177.39 177.55 3i1m n ASP 102 N 5.94 1.51 -4.65 -1.43 8.00 0.10 -4.83 116.55 121.19 3i1m n ASP 102 Ca 0.00 -1.87 -0.39 0.00 0.71 0.00 0.00 54.79 53.24 3i1m n ASP 102 Cb 0.00 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 3i1m n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1m n SER 104 N 4.88 -2.20 -4.84 0.00 2.88 -1.26 -2.62 113.62 110.46 3i1m n SER 104 Ca -0.06 -0.12 -0.36 0.00 -1.33 0.00 0.00 58.87 57.00 3i1m n SER 104 Cb 0.50 -1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 62.85 3i1m n SER 104 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i1m s GLY 105 N -1.99 2.10 0.30 0.46 0.00 -1.26 -1.36 107.32 105.57 3i1m s GLY 105 Ca 0.59 -0.69 -0.28 0.00 0.00 0.00 0.00 44.72 44.34 3i1m s GLY 105 CO 0.66 -0.45 1.13 -0.62 0.00 0.00 0.00 173.10 173.82 3i1m n VAL 106 N 1.90 1.91 -2.78 1.40 0.31 -0.87 -4.88 118.33 115.32 3i1m n VAL 106 Ca -0.19 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.25 3i1m n VAL 106 Cb 0.54 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.23 3i1m n VAL 106 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i1m s LYS 107 N -1.57 4.50 0.00 5.55 2.20 -1.26 -4.05 119.74 125.11 3i1m s LYS 107 Ca 0.58 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 3i1m s LYS 107 Cb -0.66 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 3i1m s LYS 107 CO 0.60 -0.08 0.00 -0.25 -0.36 0.00 0.00 175.35 175.26 3i1m n ASP 108 N 4.11 0.00 -4.67 1.43 8.00 -1.26 -4.96 116.55 119.20 3i1m n ASP 108 Ca 0.05 0.00 -0.50 0.00 0.71 0.00 0.00 54.79 55.05 3i1m n ASP 108 Cb 0.51 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 3i1m n ASP 108 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3i1m n ARG 109 N -1.96 1.77 0.00 -1.24 0.00 -1.26 -4.86 116.66 109.10 3i1m n ARG 109 Ca 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 57.85 58.49 3i1m n ARG 109 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 32.46 30.06 3i1m n ARG 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i1m n LYS 110 N 4.79 4.42 -4.33 -0.14 5.02 -1.26 -4.82 118.16 121.84 3i1m n LYS 110 Ca 0.21 -0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 56.04 3i1m n LYS 110 Cb 0.24 -0.61 -0.16 0.00 -0.02 0.00 0.00 35.03 34.47 3i1m n LYS 110 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3i1m s GLN 111 N -0.67 3.01 -1.06 1.97 -0.21 -1.26 -4.67 119.66 116.78 3i1m s GLN 111 Ca 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 54.53 3i1m s GLN 111 Cb 0.00 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.48 3i1m s GLN 111 CO 0.00 -0.13 0.89 0.00 -2.12 0.00 0.00 175.29 173.93 3i1m n ALA 112 N 4.40 -1.59 0.20 6.09 0.00 -1.26 -4.91 120.51 123.44 3i1m n ALA 112 Ca -0.21 0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.32 3i1m n ALA 112 Cb 0.51 -2.76 0.41 0.00 0.00 0.00 0.00 19.45 17.61 3i1m n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m h ARG 113 N -1.79 0.00 -0.55 0.00 3.08 -1.87 -3.19 114.38 110.05 3i1m h ARG 113 Ca -0.50 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.65 3i1m h ARG 113 Cb 1.30 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.27 3i1m h ARG 113 CO 0.44 0.33 0.10 1.03 -1.07 0.00 0.00 179.97 180.80 3i1m h SER 114 N 0.00 -0.03 -4.00 7.04 0.87 -1.91 -0.19 113.55 115.32 3i1m h SER 114 Ca -0.00 0.11 -0.46 0.00 -1.23 0.00 0.00 61.79 60.20 3i1m h SER 114 Cb 0.62 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3i1m h SER 114 CO 0.04 0.00 0.37 -0.54 -0.53 0.00 0.00 176.83 176.18 3i1m s LYS 115 N -6.13 4.20 0.00 2.24 1.02 -1.21 -2.67 119.74 117.20 3i1m s LYS 115 Ca -0.13 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.17 3i1m s LYS 115 Cb 0.17 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3i1m s LYS 115 CO 0.73 -0.08 0.00 0.66 -0.92 0.00 0.00 175.35 175.74 3i1m n TYR 116 N -0.32 0.00 -3.11 3.18 4.01 -1.25 -4.59 117.16 115.08 3i1m n TYR 116 Ca 0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.48 3i1m n TYR 116 Cb 0.52 -0.30 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3i1m n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1m n GLY 117 N -2.04 0.08 3.08 2.72 0.00 -0.18 -2.05 105.19 106.81 3i1m n GLY 117 Ca 0.00 0.94 -0.23 0.00 0.00 0.00 0.00 46.02 46.73 3i1m n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1m s VAL 118 N -1.30 1.12 0.28 1.61 1.01 -0.60 -4.18 120.40 118.33 3i1m s VAL 118 Ca 0.30 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 3i1m s VAL 118 Cb -0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 3i1m s VAL 118 CO 0.73 0.33 0.86 -0.54 0.00 0.00 0.00 175.10 176.48 3i1m s LYS 119 N -0.03 4.49 -0.23 2.72 1.02 -1.26 -4.57 119.74 121.89 3i1m s LYS 119 Ca -0.01 1.18 -0.38 0.00 0.02 0.00 0.00 55.97 56.78 3i1m s LYS 119 Cb -0.09 -2.88 -0.18 0.00 -0.52 0.00 0.00 37.83 34.17 3i1m s LYS 119 CO 0.01 0.35 1.19 0.54 -0.92 0.00 0.00 175.35 176.51 3i1m n ARG 120 N 0.72 0.00 -0.53 1.68 5.12 -1.26 -4.75 116.66 117.64 3i1m n ARG 120 Ca -0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 3i1m n ARG 120 Cb 0.50 -1.32 -0.06 0.00 -1.16 0.00 0.00 32.46 30.42 3i1m n ARG 120 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i1m n PRO 121 N 2.47 1.07 -3.28 5.56 -0.04 -1.26 -4.81 135.00 134.72 3i1m n PRO 121 Ca 0.23 -0.33 -0.16 0.00 -0.04 0.00 0.00 63.50 63.20 3i1m n PRO 121 Cb 0.01 -1.46 0.02 0.00 -0.04 0.00 0.00 33.50 32.02 3i1m n PRO 121 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i1m n LYS 122 N 2.08 -1.17 0.00 0.54 5.02 -1.26 -5.27 118.16 118.09 3i1m n LYS 122 Ca 0.14 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.62 3i1m n LYS 122 Cb 0.51 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3i1m n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88