#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 s THR 2 N 0.00 3.22 0.05 0.00 2.01 -1.26 -4.96 115.64 114.71 3i21 s THR 2 Ca 0.00 0.70 -0.28 0.00 0.31 0.00 0.00 61.69 62.42 3i21 s THR 2 Cb 0.00 -3.25 -0.17 0.00 0.01 0.00 0.00 72.50 69.09 3i21 s THR 2 CO 0.00 -0.22 1.52 -0.37 -0.69 0.00 0.00 174.62 174.86 3i21 h VAL 3 N 0.87 0.60 -0.82 3.82 -1.51 -2.02 -3.08 116.25 114.11 3i21 h VAL 3 Ca -0.49 -0.20 0.17 0.00 -1.23 0.00 0.00 66.70 64.96 3i21 h VAL 3 Cb 1.26 0.70 -0.06 0.00 -2.13 0.00 0.00 31.29 31.06 3i21 h VAL 3 CO 0.56 0.04 0.55 -1.13 -1.23 0.00 0.00 177.57 176.36 3i21 h ASN 4 N -0.66 0.39 -0.46 4.19 -0.73 -1.99 0.12 115.58 116.44 3i21 h ASN 4 Ca -0.06 0.03 0.09 0.00 1.87 0.00 0.00 56.30 58.24 3i21 h ASN 4 Cb 0.48 -0.05 -0.09 0.00 0.27 0.00 0.00 38.32 38.93 3i21 h ASN 4 CO 0.09 0.18 -0.18 -0.61 -0.37 0.00 0.00 177.43 176.54 3i21 h GLN 5 N 0.40 -0.08 0.00 6.67 5.75 -1.91 -2.90 115.11 123.04 3i21 h GLN 5 Ca 0.41 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.81 3i21 h GLN 5 Cb 1.00 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 3i21 h GLN 5 CO -0.14 -0.05 -0.52 -0.07 -2.65 0.00 0.00 178.83 175.40 3i21 h LEU 6 N -0.08 0.00 0.00 -2.39 3.38 -0.71 -1.57 115.31 113.94 3i21 h LEU 6 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3i21 h LEU 6 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3i21 h LEU 6 CO -0.52 0.52 0.00 0.52 0.09 0.00 0.00 178.44 179.05 3i21 n VAL 7 N -3.29 0.00 -0.04 1.22 0.31 -0.98 -0.89 118.33 114.66 3i21 n VAL 7 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.29 3i21 n VAL 7 Cb 0.71 -0.75 -0.05 0.00 -0.91 0.00 0.00 33.84 32.83 3i21 n VAL 7 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i21 n ARG 8 N -0.94 1.48 -3.89 5.55 3.00 -0.64 -5.03 116.66 116.19 3i21 n ARG 8 Ca 0.08 0.03 -0.12 0.00 -0.00 0.00 0.00 57.85 57.84 3i21 n ARG 8 Cb 0.04 -1.19 -0.14 0.00 0.00 0.00 0.00 32.46 31.17 3i21 n ARG 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3i21 s LYS 9 N -2.19 0.04 0.94 -0.14 3.01 -0.07 -5.14 119.74 116.19 3i21 s LYS 9 Ca -0.08 -0.03 -0.13 0.00 -1.01 0.00 0.00 55.97 54.71 3i21 s LYS 9 Cb 0.03 -0.02 0.21 0.00 -1.01 0.00 0.00 37.83 37.03 3i21 s LYS 9 CO 0.26 0.01 1.28 -2.14 0.51 0.00 0.00 175.35 175.27 3i21 s PRO 10 N -0.06 0.62 0.05 -1.68 0.02 -1.24 -3.94 135.00 128.77 3i21 s PRO 10 Ca -0.00 -0.68 -0.19 0.00 0.02 0.00 0.00 61.00 60.14 3i21 s PRO 10 Cb -0.00 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 3i21 s PRO 10 CO -0.00 -2.36 0.57 1.03 -0.33 0.00 0.00 177.00 175.90 3i21 s ARG 11 N -5.79 4.22 -0.57 5.54 1.81 -1.26 -5.04 118.95 117.87 3i21 s ARG 11 Ca 0.75 0.72 -0.13 0.00 -1.72 0.00 0.00 55.73 55.35 3i21 s ARG 11 Cb -0.03 -3.27 0.14 0.00 -0.45 0.00 0.00 34.95 31.35 3i21 s ARG 11 CO 0.52 0.57 0.49 0.00 -0.68 0.00 0.00 175.30 176.19 3i21 s ALA 12 N -0.85 3.63 -0.24 2.13 0.00 -1.26 -5.03 121.76 120.14 3i21 s ALA 12 Ca 0.29 -2.72 -0.07 0.00 0.00 0.00 0.00 51.96 49.47 3i21 s ALA 12 Cb -0.19 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3i21 s ALA 12 CO 0.18 -2.03 0.06 0.50 0.00 0.00 0.00 175.76 174.47 3i21 s ARG 13 N 1.18 3.66 0.37 0.00 3.52 -1.26 -5.10 118.95 121.32 3i21 s ARG 13 Ca 0.07 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 3i21 s ARG 13 Cb -0.25 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 3i21 s ARG 13 CO -0.01 -0.15 0.56 -1.59 -0.81 0.00 0.00 175.30 173.30 3i21 s LYS 14 N 1.49 3.22 -0.44 5.12 -2.85 -1.26 -5.06 119.74 119.95 3i21 s LYS 14 Ca 0.06 -0.62 -0.21 0.00 -1.00 0.00 0.00 55.97 54.20 3i21 s LYS 14 Cb -0.15 -2.69 0.03 0.00 -2.06 0.00 0.00 37.83 32.96 3i21 s LYS 14 CO 0.03 -0.01 0.66 0.14 0.10 0.00 0.00 175.35 176.27 3i21 s VAL 15 N -2.34 4.80 1.01 1.79 -7.23 -1.26 -5.05 120.40 112.12 3i21 s VAL 15 Ca 0.44 0.12 -0.12 0.00 -1.81 0.00 0.00 61.98 60.61 3i21 s VAL 15 Cb -0.10 -4.23 0.16 0.00 0.56 0.00 0.00 36.38 32.78 3i21 s VAL 15 CO 0.35 -0.63 0.88 0.00 -0.31 0.00 0.00 175.10 175.39 3i21 n ALA 16 N 6.33 -1.96 -2.47 1.32 0.00 -1.26 -4.94 120.51 117.53 3i21 n ALA 16 Ca -0.01 -0.79 -0.40 0.00 0.00 0.00 0.00 53.44 52.24 3i21 n ALA 16 Cb 0.48 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 3i21 n ALA 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i21 s LYS 17 N -4.29 4.49 0.03 0.00 -2.85 -1.26 -5.00 119.74 110.85 3i21 s LYS 17 Ca 0.65 1.05 -0.33 0.00 -1.00 0.00 0.00 55.97 56.34 3i21 s LYS 17 Cb -0.22 -3.38 -0.11 0.00 -2.06 0.00 0.00 37.83 32.05 3i21 s LYS 17 CO 0.62 0.23 1.84 0.45 0.10 0.00 0.00 175.35 178.59 3i21 n SER 18 N 3.02 3.68 0.00 0.03 2.88 -1.26 -4.83 113.62 117.14 3i21 n SER 18 Ca -0.02 0.98 0.03 0.00 -1.33 0.00 0.00 58.87 58.53 3i21 n SER 18 Cb 0.50 -1.45 0.15 0.00 -0.75 0.00 0.00 64.21 62.66 3i21 n SER 18 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i21 n ASN 19 N 6.00 0.00 -3.36 -3.46 2.04 -1.26 -3.01 115.26 112.21 3i21 n ASN 19 Ca 0.20 -0.04 -0.26 0.00 -0.44 0.00 0.00 54.58 54.04 3i21 n ASN 19 Cb 0.33 -0.10 -0.09 0.00 -2.53 0.00 0.00 39.78 37.39 3i21 n ASN 19 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 3i21 n VAL 20 N -1.10 -0.94 -2.05 3.53 0.24 -1.26 -4.98 118.33 111.77 3i21 n VAL 20 Ca 0.04 -3.64 -0.41 0.00 -2.04 0.00 0.00 64.34 58.29 3i21 n VAL 20 Cb 0.03 -1.75 -0.01 0.00 -1.47 0.00 0.00 33.84 30.63 3i21 n VAL 20 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3i21 n PRO 21 N 2.44 2.69 0.00 7.34 -0.04 -1.16 -3.64 135.00 142.63 3i21 n PRO 21 Ca 0.27 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 3i21 n PRO 21 Cb 0.49 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 3i21 n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i21 n ALA 22 N 8.21 0.00 0.00 0.55 0.00 -1.26 -4.86 120.51 123.15 3i21 n ALA 22 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3i21 n ALA 22 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3i21 n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i21 n LEU 23 N 0.00 0.00 -3.64 0.00 4.32 -1.24 -4.97 117.00 111.47 3i21 n LEU 23 Ca 0.00 -0.02 -0.23 0.00 -0.02 0.00 0.00 56.01 55.74 3i21 n LEU 23 Cb 0.14 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.00 3i21 n LEU 23 CO 0.00 0.00 0.13 -0.62 -1.22 0.00 0.00 177.39 175.68 3i21 n GLU 24 N -0.96 -6.61 -0.75 3.23 1.02 -1.26 -1.49 120.64 113.82 3i21 n GLU 24 Ca 0.00 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 3i21 n GLU 24 Cb 0.00 -5.68 0.00 0.00 -0.02 0.00 0.00 31.44 25.74 3i21 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i21 n ALA 25 N -4.60 0.00 -2.67 0.62 0.00 -1.26 -5.05 120.51 107.55 3i21 n ALA 25 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 3i21 n ALA 25 Cb 0.60 -0.21 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 3i21 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n PRO 27 N 4.25 -0.08 -3.57 0.00 -0.04 -1.26 -4.68 135.00 129.62 3i21 n PRO 27 Ca -0.14 1.48 -0.11 0.00 -0.04 0.00 0.00 63.50 64.68 3i21 n PRO 27 Cb 0.52 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 3i21 n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i21 n GLN 28 N -5.53 0.71 -4.00 0.54 0.00 -1.26 -4.85 117.38 102.99 3i21 n GLN 28 Ca 0.16 -2.28 -0.09 0.00 0.00 0.00 0.00 57.00 54.79 3i21 n GLN 28 Cb 0.51 2.34 -0.08 0.00 0.00 0.00 0.00 30.24 33.01 3i21 n GLN 28 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i21 s LYS 29 N -2.52 0.95 0.04 2.61 -0.14 -0.79 -5.01 119.74 114.88 3i21 s LYS 29 Ca 0.22 -1.19 0.02 0.00 -1.36 0.00 0.00 55.97 53.66 3i21 s LYS 29 Cb -0.02 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.41 3i21 s LYS 29 CO 0.16 -0.30 0.06 0.50 -0.76 0.00 0.00 175.35 175.00 3i21 s ARG 30 N -3.95 2.89 0.12 1.68 3.52 -1.26 0.75 118.95 122.69 3i21 s ARG 30 Ca 0.14 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3i21 s ARG 30 Cb 0.05 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 3i21 s ARG 30 CO -0.04 0.60 -0.11 0.20 -0.81 0.00 0.00 175.30 175.14 3i21 s GLY 31 N -2.02 0.97 0.07 8.12 0.00 0.29 -1.64 107.32 113.11 3i21 s GLY 31 Ca 0.25 -1.31 0.15 0.00 0.00 0.00 0.00 44.72 43.81 3i21 s GLY 31 CO 0.17 -1.39 0.90 -2.08 0.00 0.00 0.00 173.10 170.70 3i21 h VAL 32 N 3.31 0.71 -3.51 1.40 2.07 0.31 -0.21 116.25 120.33 3i21 h VAL 32 Ca -0.38 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.85 3i21 h VAL 32 Cb 1.19 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 3i21 h VAL 32 CO 0.56 0.41 -0.33 0.00 0.02 0.00 0.00 177.57 178.22 3i21 n THR 34 N 0.31 0.00 -4.45 0.00 -1.04 -0.71 -4.44 114.28 103.96 3i21 n THR 34 Ca -0.06 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.71 3i21 n THR 34 Cb 0.09 -0.66 -0.10 0.00 -1.82 0.00 0.00 70.33 67.84 3i21 n THR 34 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3i21 s ARG 35 N 0.00 1.72 -0.48 -2.82 1.81 -1.25 -4.69 118.95 113.24 3i21 s ARG 35 Ca 0.00 -1.71 -0.09 0.00 -1.72 0.00 0.00 55.73 52.21 3i21 s ARG 35 Cb 0.00 -1.82 0.12 0.00 -0.45 0.00 0.00 34.95 32.81 3i21 s ARG 35 CO 0.00 0.34 0.36 0.14 -0.68 0.00 0.00 175.30 175.46 3i21 s VAL 36 N -2.40 4.26 0.59 3.52 -7.23 -1.26 -1.47 120.40 116.41 3i21 s VAL 36 Ca 0.29 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 3i21 s VAL 36 Cb -0.05 -3.80 0.09 0.00 0.56 0.00 0.00 36.38 33.17 3i21 s VAL 36 CO 0.15 -0.78 0.82 -0.31 -0.31 0.00 0.00 175.10 174.66 3i21 s TYR 37 N 1.35 1.70 -0.17 2.82 4.12 -0.37 -4.98 117.35 121.84 3i21 s TYR 37 Ca 0.06 -0.53 -0.05 0.00 0.02 0.00 0.00 57.07 56.57 3i21 s TYR 37 Cb -0.26 -2.47 0.07 0.00 -1.52 0.00 0.00 41.96 37.78 3i21 s TYR 37 CO -0.01 -1.20 0.12 0.95 0.02 0.00 0.00 175.55 175.44 3i21 s THR 38 N -2.76 -0.16 0.48 -0.71 -4.23 -1.26 -2.19 115.64 104.81 3i21 s THR 38 Ca 0.62 -0.10 0.06 0.00 -1.18 0.00 0.00 61.69 61.10 3i21 s THR 38 Cb -0.06 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.22 3i21 s THR 38 CO 0.40 -0.22 0.34 0.42 -0.54 0.00 0.00 174.62 175.02 3i21 s THR 39 N 2.19 2.03 -0.13 3.99 -4.23 -0.85 -4.84 115.64 113.81 3i21 s THR 39 Ca 0.03 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3i21 s THR 39 Cb -0.16 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 3i21 s THR 39 CO -0.09 0.00 0.01 0.42 -0.54 0.00 0.00 174.62 174.41 3i21 s THR 40 N -2.66 4.32 1.03 3.99 -4.23 -1.26 -1.00 115.64 115.82 3i21 s THR 40 Ca 0.39 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.56 3i21 s THR 40 Cb -0.01 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 71.17 3i21 s THR 40 CO 0.23 0.54 1.08 -2.16 -0.54 0.00 0.00 174.62 173.77 3i21 s PRO 41 N -0.27 0.18 0.00 3.99 0.04 -1.26 -4.93 135.00 132.76 3i21 s PRO 41 Ca 0.06 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3i21 s PRO 41 Cb -0.12 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3i21 s PRO 41 CO 0.02 -3.04 0.00 1.17 0.04 0.00 0.00 177.00 175.19 3i21 n LYS 42 N -4.47 2.02 0.00 4.56 4.81 -0.04 -4.94 118.16 120.10 3i21 n LYS 42 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3i21 n LYS 42 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 3i21 n LYS 42 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i21 n LYS 43 N 0.00 0.00 0.22 1.64 4.76 -1.26 -3.65 118.16 119.87 3i21 n LYS 43 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3i21 n LYS 43 Cb 0.00 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 33.64 3i21 n LYS 43 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3i21 h PRO 44 N 0.00 0.00 -6.69 1.97 0.13 -2.02 -3.45 132.00 121.94 3i21 h PRO 44 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 3i21 h PRO 44 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 3i21 h PRO 44 CO 0.00 0.22 0.51 0.09 -0.23 0.00 0.00 178.00 178.59 3i21 n ASN 45 N -3.37 2.67 -3.61 1.44 3.02 -1.24 -4.99 115.26 109.18 3i21 n ASN 45 Ca 0.00 1.19 -0.29 0.00 -0.03 0.00 0.00 54.58 55.46 3i21 n ASN 45 Cb 0.44 -1.46 -0.15 0.00 -0.61 0.00 0.00 39.78 37.99 3i21 n ASN 45 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i21 s SER 46 N -0.19 3.38 0.00 6.41 0.15 -1.26 -4.59 113.70 117.59 3i21 s SER 46 Ca 0.58 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3i21 s SER 46 Cb -0.59 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 3i21 s SER 46 CO 0.59 -0.41 0.00 0.00 1.20 0.00 0.00 173.24 174.63 3i21 n ALA 47 N 5.16 0.00 -3.74 5.45 0.00 -1.26 -5.05 120.51 121.07 3i21 n ALA 47 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 3i21 n ALA 47 Cb 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.73 3i21 n ALA 47 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3i21 s LEU 48 N 0.00 1.70 -0.11 0.00 2.34 -1.25 -4.01 118.68 117.35 3i21 s LEU 48 Ca 0.00 -1.22 -0.27 0.00 0.06 0.00 0.00 54.13 52.71 3i21 s LEU 48 Cb 0.00 -0.74 -0.02 0.00 -0.56 0.00 0.00 46.19 44.87 3i21 s LEU 48 CO 0.00 -0.35 0.87 -0.13 -1.06 0.00 0.00 176.35 175.67 3i21 s ARG 49 N 1.73 4.39 -0.13 1.48 3.00 -0.17 -4.78 118.95 124.47 3i21 s ARG 49 Ca 0.04 1.13 -0.29 0.00 0.00 0.00 0.00 55.73 56.60 3i21 s ARG 49 Cb -0.17 -3.52 -0.03 0.00 0.00 0.00 0.00 34.95 31.23 3i21 s ARG 49 CO -0.17 -0.20 1.37 0.15 0.00 0.00 0.00 175.30 176.45 3i21 s LYS 50 N 1.67 4.22 0.04 3.54 3.01 -1.26 -2.00 119.74 128.96 3i21 s LYS 50 Ca 0.42 1.81 0.00 0.00 -1.01 0.00 0.00 55.97 57.19 3i21 s LYS 50 Cb -0.18 -3.82 -0.03 0.00 -1.01 0.00 0.00 37.83 32.79 3i21 s LYS 50 CO 0.17 -0.74 -0.04 0.08 0.51 0.00 0.00 175.35 175.33 3i21 s VAL 51 N 3.62 0.28 -0.05 3.17 1.01 -0.93 -1.67 120.40 125.84 3i21 s VAL 51 Ca 0.60 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3i21 s VAL 51 Cb -0.25 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3i21 s VAL 51 CO 0.19 -0.72 -0.13 0.00 0.00 0.00 0.00 175.10 174.44 3i21 s ARG 53 N 0.31 3.89 -0.08 0.00 6.06 -0.54 0.70 118.95 129.29 3i21 s ARG 53 Ca -0.07 1.67 -0.06 0.00 -2.50 0.00 0.00 55.73 54.77 3i21 s ARG 53 Cb -0.12 -2.44 0.03 0.00 0.06 0.00 0.00 34.95 32.48 3i21 s ARG 53 CO 0.02 -0.41 0.20 0.08 -2.50 0.00 0.00 175.30 172.68 3i21 s VAL 54 N -1.60 -0.02 -0.26 7.11 1.01 0.81 -1.73 120.40 125.72 3i21 s VAL 54 Ca 0.62 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.52 3i21 s VAL 54 Cb -0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3i21 s VAL 54 CO 0.32 0.02 0.33 -0.60 0.00 0.00 0.00 175.10 175.17 3i21 s ARG 55 N 0.51 4.02 0.61 2.72 3.52 -1.26 -1.09 118.95 127.98 3i21 s ARG 55 Ca -0.03 -0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3i21 s ARG 55 Cb -0.05 -3.64 0.07 0.00 -1.56 0.00 0.00 34.95 29.78 3i21 s ARG 55 CO -0.03 -0.21 0.85 -0.51 -0.81 0.00 0.00 175.30 174.59 3i21 s LEU 56 N 1.86 3.16 0.10 -0.88 1.43 -0.92 0.25 118.68 123.68 3i21 s LEU 56 Ca 0.13 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 3i21 s LEU 56 Cb -0.16 -2.42 -0.13 0.00 0.03 0.00 0.00 46.19 43.52 3i21 s LEU 56 CO 0.10 -1.41 1.71 0.71 0.23 0.00 0.00 176.35 177.69 3i21 h THR 57 N -0.12 0.85 0.00 5.49 1.35 -1.65 -1.54 112.91 117.30 3i21 h THR 57 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3i21 h THR 57 Cb 1.28 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3i21 h THR 57 CO 0.46 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.27 3i21 n ASN 58 N -5.17 0.00 0.00 5.36 0.23 -1.26 -4.87 115.26 109.55 3i21 n ASN 58 Ca -0.07 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i21 n ASN 58 Cb 0.10 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 3i21 n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i21 n GLY 59 N -0.91 2.13 1.17 4.83 0.00 -0.58 -5.05 105.19 106.78 3i21 n GLY 59 Ca 0.02 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 3i21 n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i21 n PHE 60 N 0.00 0.21 -3.34 1.61 3.01 -1.26 -3.33 117.46 114.36 3i21 n PHE 60 Ca 0.00 0.35 -0.45 0.00 1.01 0.00 0.00 57.45 58.37 3i21 n PHE 60 Cb 0.00 -0.70 -0.07 0.00 -0.01 0.00 0.00 39.48 38.71 3i21 n PHE 60 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i21 s GLU 61 N -0.00 2.99 0.17 -1.08 -1.05 -1.26 -2.17 118.70 116.30 3i21 s GLU 61 Ca 0.30 -1.42 0.10 0.00 -0.15 0.00 0.00 54.97 53.80 3i21 s GLU 61 Cb -0.42 -4.18 -0.04 0.00 -0.44 0.00 0.00 34.13 29.04 3i21 s GLU 61 CO 0.19 -1.14 -0.21 0.14 0.95 0.00 0.00 175.26 175.19 3i21 s VAL 62 N 1.72 2.55 0.22 1.83 -7.23 -0.25 -4.87 120.40 114.36 3i21 s VAL 62 Ca 0.05 -1.83 -0.25 0.00 -1.81 0.00 0.00 61.98 58.14 3i21 s VAL 62 Cb -0.26 -2.21 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 3i21 s VAL 62 CO 0.06 -0.04 0.82 0.42 -0.31 0.00 0.00 175.10 176.05 3i21 s THR 63 N -1.46 4.34 0.00 5.32 -4.23 -1.26 -0.14 115.64 118.22 3i21 s THR 63 Ca 0.20 1.68 0.04 0.00 -1.18 0.00 0.00 61.69 62.42 3i21 s THR 63 Cb -0.09 -4.08 -0.01 0.00 1.34 0.00 0.00 72.50 69.66 3i21 s THR 63 CO 0.10 0.38 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.90 3i21 s SER 64 N -1.35 1.34 0.29 3.99 0.15 0.22 -4.19 113.70 114.15 3i21 s SER 64 Ca 0.41 -0.26 -0.29 0.00 0.70 0.00 0.00 55.95 56.50 3i21 s SER 64 Cb -0.21 -0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 63.87 3i21 s SER 64 CO 0.25 0.10 1.22 -0.47 1.20 0.00 0.00 173.24 175.55 3i21 s TYR 65 N -0.41 3.30 -1.14 3.44 6.14 0.63 -0.23 117.35 129.09 3i21 s TYR 65 Ca 0.03 1.50 -0.06 0.00 0.64 0.00 0.00 57.07 59.18 3i21 s TYR 65 Cb -0.05 -3.51 0.27 0.00 0.42 0.00 0.00 41.96 39.09 3i21 s TYR 65 CO -0.00 -1.33 1.58 -0.89 0.64 0.00 0.00 175.55 175.55 3i21 n ILE 66 N 1.27 5.03 -1.65 3.14 5.41 -0.67 -0.42 119.36 131.47 3i21 n ILE 66 Ca 0.01 -5.48 -0.46 0.00 1.00 0.00 0.00 62.75 57.82 3i21 n ILE 66 Cb 0.43 -2.18 -0.03 0.00 -0.71 0.00 0.00 39.64 37.15 3i21 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i21 n GLY 67 N 1.82 0.69 0.00 7.39 0.00 -1.26 -4.79 105.19 109.04 3i21 n GLY 67 Ca 0.30 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3i21 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i21 n GLY 68 N 2.37 3.88 3.47 -0.02 0.00 -1.26 -4.89 105.19 108.75 3i21 n GLY 68 Ca 0.14 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 3i21 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i21 s GLU 69 N -3.38 3.78 0.00 1.61 2.02 -1.26 -4.74 118.70 116.73 3i21 s GLU 69 Ca 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 52.98 3i21 s GLU 69 Cb 0.00 -5.03 0.00 0.00 0.10 0.00 0.00 34.13 29.20 3i21 s GLU 69 CO 0.00 -1.83 0.00 0.41 0.02 0.00 0.00 175.26 173.86 3i21 n GLY 70 N 5.12 -2.69 0.00 -1.39 0.00 -1.26 -4.83 105.19 100.14 3i21 n GLY 70 Ca 0.30 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3i21 n GLY 70 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i21 n HIS 71 N 0.56 0.00 0.00 1.61 1.44 -1.26 -4.82 115.22 112.75 3i21 n HIS 71 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3i21 n HIS 71 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3i21 n HIS 71 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3i21 n ASN 72 N 0.00 0.03 -4.44 4.39 0.23 -1.26 -5.08 115.26 109.12 3i21 n ASN 72 Ca 0.00 -0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.68 3i21 n ASN 72 Cb 0.00 0.01 0.05 0.00 -2.08 0.00 0.00 39.78 37.76 3i21 n ASN 72 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3i21 n LEU 73 N -0.01 0.34 0.00 -4.53 4.77 -1.26 -5.01 117.00 111.31 3i21 n LEU 73 Ca 0.00 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 3i21 n LEU 73 Cb 0.00 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 3i21 n LEU 73 CO 0.00 -3.27 0.00 0.00 -1.33 0.00 0.00 177.39 172.79 3i21 n GLN 74 N -0.16 0.00 0.00 3.23 1.13 -1.26 -5.05 117.38 115.27 3i21 n GLN 74 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3i21 n GLN 74 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.84 3i21 n GLN 74 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i21 n GLU 75 N 0.00 0.00 -2.73 -1.09 -0.58 -1.26 -4.37 120.64 110.61 3i21 n GLU 75 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 3i21 n GLU 75 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i21 n GLU 75 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3i21 s HIS 76 N 0.00 3.05 -0.24 -0.32 3.76 -1.26 -4.58 115.29 115.71 3i21 s HIS 76 Ca 0.00 -1.78 -0.01 0.00 -0.15 0.00 0.00 55.06 53.12 3i21 s HIS 76 Cb 0.00 -4.58 0.07 0.00 1.11 0.00 0.00 32.58 29.18 3i21 s HIS 76 CO 0.00 -1.65 0.02 -1.54 -0.85 0.00 0.00 174.74 170.72 3i21 s SER 77 N 3.72 3.49 -0.27 1.40 1.04 -1.23 -5.09 113.70 116.76 3i21 s SER 77 Ca 0.49 -1.14 -0.28 0.00 0.48 0.00 0.00 55.95 55.49 3i21 s SER 77 Cb 0.01 -0.85 -0.03 0.00 0.10 0.00 0.00 66.02 65.24 3i21 s SER 77 CO 0.04 -0.31 1.96 0.68 0.98 0.00 0.00 173.24 176.58 3i21 s VAL 78 N 1.64 3.29 0.30 5.02 -7.23 -1.26 -4.31 120.40 117.86 3i21 s VAL 78 Ca 0.00 0.30 0.09 0.00 -1.81 0.00 0.00 61.98 60.57 3i21 s VAL 78 Cb -0.18 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.33 3i21 s VAL 78 CO -0.11 -0.23 0.02 0.27 -0.31 0.00 0.00 175.10 174.74 3i21 s ILE 79 N 7.27 3.07 -0.14 -0.62 -4.36 -0.09 -2.68 121.20 123.66 3i21 s ILE 79 Ca 0.88 -1.90 -0.07 0.00 -0.26 0.00 0.00 60.65 59.29 3i21 s ILE 79 Cb -0.27 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.56 3i21 s ILE 79 CO 0.34 -0.28 0.13 -0.22 0.24 0.00 0.00 174.94 175.14 3i21 s LEU 80 N -3.72 4.28 0.15 0.37 2.96 -1.26 0.11 118.68 121.57 3i21 s LEU 80 Ca 0.34 0.38 0.09 0.00 -0.22 0.00 0.00 54.13 54.72 3i21 s LEU 80 Cb -0.04 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3i21 s LEU 80 CO 0.20 0.35 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.96 3i21 s ILE 81 N -0.68 3.14 0.00 6.68 2.07 0.23 -1.65 121.20 130.99 3i21 s ILE 81 Ca 0.13 -1.55 0.00 0.00 -1.41 0.00 0.00 60.65 57.82 3i21 s ILE 81 Cb -0.12 -2.51 0.00 0.00 0.13 0.00 0.00 42.46 39.96 3i21 s ILE 81 CO 0.03 -0.02 0.00 -1.14 -1.91 0.00 0.00 174.94 171.90 3i21 n ARG 82 N 0.34 0.00 0.00 3.50 0.63 0.23 -1.88 116.66 119.49 3i21 n ARG 82 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3i21 n ARG 82 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 3i21 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i21 n GLY 83 N 3.41 0.25 2.67 5.14 0.00 -1.26 -4.65 105.19 110.75 3i21 n GLY 83 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3i21 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i21 s GLY 84 N 0.00 0.21 0.77 -0.02 0.00 -0.12 -4.85 107.32 103.30 3i21 s GLY 84 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 3i21 s GLY 84 CO 0.00 1.88 0.97 -2.13 0.00 0.00 0.00 173.10 173.83 3i21 n ARG 85 N 5.30 0.33 -4.06 2.90 0.63 -1.23 -3.59 116.66 116.95 3i21 n ARG 85 Ca -0.06 0.17 -0.32 0.00 -0.92 0.00 0.00 57.85 56.72 3i21 n ARG 85 Cb 0.49 -2.24 -0.16 0.00 0.45 0.00 0.00 32.46 31.01 3i21 n ARG 85 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3i21 s VAL 86 N -1.96 1.96 -0.73 5.15 1.01 -1.05 -4.96 120.40 119.82 3i21 s VAL 86 Ca 0.72 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 3i21 s VAL 86 Cb -0.32 -1.98 -0.15 0.00 0.00 0.00 0.00 36.38 33.93 3i21 s VAL 86 CO 0.52 0.18 1.92 1.17 0.00 0.00 0.00 175.10 178.88 3i21 n LYS 87 N 4.57 1.48 0.00 2.72 4.81 -1.26 -1.94 118.16 128.54 3i21 n LYS 87 Ca -0.16 -1.68 0.00 0.00 -0.87 0.00 0.00 58.31 55.60 3i21 n LYS 87 Cb 0.46 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.73 3i21 n LYS 87 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i21 n ASP 88 N 6.87 0.00 -4.61 3.14 10.43 -1.26 -4.96 116.55 126.16 3i21 n ASP 88 Ca 0.47 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.45 3i21 n ASP 88 Cb 0.34 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.20 3i21 n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3i21 s LEU 89 N -0.50 4.05 -0.44 0.64 2.01 -0.82 -0.86 118.68 122.76 3i21 s LEU 89 Ca 0.00 0.05 -0.28 0.00 0.01 0.00 0.00 54.13 53.91 3i21 s LEU 89 Cb 0.00 -2.14 -0.08 0.00 0.01 0.00 0.00 46.19 43.97 3i21 s LEU 89 CO 0.00 -0.03 2.36 -0.81 1.01 0.00 0.00 176.35 178.88 3i21 n PRO 90 N 4.88 1.22 0.00 1.29 -0.04 -1.26 -3.65 135.00 137.44 3i21 n PRO 90 Ca -0.14 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3i21 n PRO 90 Cb 0.52 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 3i21 n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i21 n GLY 91 N 6.06 1.96 0.00 0.55 0.00 -1.26 -5.00 105.19 107.49 3i21 n GLY 91 Ca 0.38 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i21 n GLY 91 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i21 n VAL 92 N 0.00 0.00 -0.47 1.61 0.31 -1.24 -4.79 118.33 113.75 3i21 n VAL 92 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3i21 n VAL 92 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3i21 n VAL 92 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i21 n ARG 93 N 0.00 1.80 -3.78 5.55 1.74 -1.26 -2.51 116.66 118.20 3i21 n ARG 93 Ca 0.00 -1.22 -0.13 0.00 -0.77 0.00 0.00 57.85 55.73 3i21 n ARG 93 Cb 0.00 -0.85 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 3i21 n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i21 s TYR 94 N -0.75 -0.14 0.22 -1.55 2.02 -1.24 -0.95 117.35 114.97 3i21 s TYR 94 Ca 0.02 0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.97 3i21 s TYR 94 Cb 0.02 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.61 3i21 s TYR 94 CO 0.00 -0.39 0.07 -1.01 -1.57 0.00 0.00 175.55 172.66 3i21 s HIS 95 N -1.47 2.92 -0.24 2.71 3.76 -1.26 0.23 115.29 121.94 3i21 s HIS 95 Ca -0.13 -0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 54.45 3i21 s HIS 95 Cb -0.05 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 3i21 s HIS 95 CO 0.03 0.55 0.56 0.95 -0.85 0.00 0.00 174.74 175.98 3i21 s THR 96 N -2.02 5.04 -0.18 1.30 -4.23 0.44 0.76 115.64 116.75 3i21 s THR 96 Ca 0.31 1.01 -0.29 0.00 -1.18 0.00 0.00 61.69 61.54 3i21 s THR 96 Cb -0.08 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 3i21 s THR 96 CO 0.21 0.09 1.89 0.68 -0.54 0.00 0.00 174.62 176.95 3i21 s VAL 97 N 2.20 3.32 0.11 2.29 -7.23 -0.66 -4.66 120.40 115.78 3i21 s VAL 97 Ca 0.24 0.36 -0.31 0.00 -1.81 0.00 0.00 61.98 60.46 3i21 s VAL 97 Cb -0.16 -3.35 -0.07 0.00 0.56 0.00 0.00 36.38 33.36 3i21 s VAL 97 CO 0.09 -0.16 1.25 -0.13 -0.31 0.00 0.00 175.10 175.83 3i21 s ARG 98 N 5.27 4.42 0.00 4.82 1.81 -1.26 -2.97 118.95 131.04 3i21 s ARG 98 Ca 0.85 1.88 0.00 0.00 -1.72 0.00 0.00 55.73 56.74 3i21 s ARG 98 Cb -0.31 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 30.91 3i21 s ARG 98 CO 0.34 -0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.12 3i21 n GLY 99 N 2.96 0.51 3.35 -3.53 0.00 -1.10 -0.98 105.19 106.39 3i21 n GLY 99 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3i21 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 s ALA 100 N -2.22 2.40 0.00 4.61 0.00 -1.14 -4.72 121.76 120.70 3i21 s ALA 100 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3i21 s ALA 100 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3i21 s ALA 100 CO 0.00 0.42 0.00 1.28 0.00 0.00 0.00 175.76 177.46 3i21 n LEU 101 N 2.90 0.00 0.06 0.00 7.99 -1.26 -3.14 117.00 123.56 3i21 n LEU 101 Ca -0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.76 3i21 n LEU 101 Cb 0.52 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.72 3i21 n LEU 101 CO 0.27 0.00 0.16 0.44 -1.51 0.00 0.00 177.39 176.74 3i21 h ASP 102 N 1.37 0.00 -2.44 -1.43 5.19 -1.87 -3.45 116.42 113.79 3i21 h ASP 102 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3i21 h ASP 102 Cb 0.00 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.54 3i21 h ASP 102 CO 0.00 0.97 1.19 0.00 -3.12 0.00 0.00 179.24 178.27 3i21 s SER 104 N 3.79 6.96 0.09 0.00 1.04 -1.26 -2.71 113.70 121.61 3i21 s SER 104 Ca 0.85 1.15 -0.31 0.00 0.48 0.00 0.00 55.95 58.12 3i21 s SER 104 Cb -0.44 -2.33 -0.08 0.00 0.10 0.00 0.00 66.02 63.27 3i21 s SER 104 CO 0.39 0.22 1.49 -0.83 0.98 0.00 0.00 173.24 175.50 3i21 s GLY 105 N -0.76 1.77 0.39 7.32 0.00 -1.26 -4.09 107.32 110.70 3i21 s GLY 105 Ca 0.28 1.14 -0.22 0.00 0.00 0.00 0.00 44.72 45.92 3i21 s GLY 105 CO 0.17 2.56 0.27 -0.62 0.00 0.00 0.00 173.10 175.48 3i21 n VAL 106 N 4.27 1.12 -3.67 1.40 0.31 -1.03 -4.87 118.33 115.87 3i21 n VAL 106 Ca 0.13 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.67 3i21 n VAL 106 Cb 0.41 -0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.13 3i21 n VAL 106 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3i21 s LYS 107 N -1.19 3.57 -1.25 5.55 0.00 -1.26 -4.35 119.74 120.81 3i21 s LYS 107 Ca 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 55.97 56.38 3i21 s LYS 107 Cb -0.65 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 34.34 3i21 s LYS 107 CO 0.61 0.43 0.00 -0.25 0.00 0.00 0.00 175.35 176.14 3i21 n ASP 108 N -0.27 -4.91 -4.81 0.03 8.00 -1.26 -4.97 116.55 108.36 3i21 n ASP 108 Ca -0.03 0.29 -0.33 0.00 0.71 0.00 0.00 54.79 55.43 3i21 n ASP 108 Cb 0.53 -3.44 0.01 0.00 -0.02 0.00 0.00 41.12 38.19 3i21 n ASP 108 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i21 s ARG 109 N -2.87 3.39 0.23 -1.24 1.81 -1.26 -4.96 118.95 114.04 3i21 s ARG 109 Ca 0.00 1.19 0.00 0.00 -1.72 0.00 0.00 55.73 55.20 3i21 s ARG 109 Cb 0.00 -2.04 0.00 0.00 -0.45 0.00 0.00 34.95 32.46 3i21 s ARG 109 CO 0.00 -0.75 0.00 1.63 -0.68 0.00 0.00 175.30 175.50 3i21 n LYS 110 N -1.96 0.00 -2.51 3.54 4.01 -1.26 -4.99 118.16 114.99 3i21 n LYS 110 Ca 0.09 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.46 3i21 n LYS 110 Cb 0.53 -0.09 -0.03 0.00 -0.51 0.00 0.00 35.03 34.93 3i21 n LYS 110 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 3i21 s GLN 111 N -2.00 4.36 -0.56 1.97 2.00 -1.26 -4.31 119.66 119.86 3i21 s GLN 111 Ca 0.00 1.61 -0.01 0.00 -2.00 0.00 0.00 55.36 54.96 3i21 s GLN 111 Cb 0.00 -3.56 -0.02 0.00 0.80 0.00 0.00 33.01 30.23 3i21 s GLN 111 CO 0.00 -0.43 0.51 0.00 -0.50 0.00 0.00 175.29 174.87 3i21 n ALA 112 N 5.22 -2.03 1.00 1.58 0.00 -1.26 -4.98 120.51 120.05 3i21 n ALA 112 Ca 0.11 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.68 3i21 n ALA 112 Cb 0.47 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 3i21 n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i21 n ARG 113 N -1.90 0.17 -0.13 0.00 1.74 -1.26 -4.02 116.66 111.26 3i21 n ARG 113 Ca -0.02 -0.14 0.24 0.00 -0.77 0.00 0.00 57.85 57.17 3i21 n ARG 113 Cb 0.53 -1.50 0.68 0.00 -1.02 0.00 0.00 32.46 31.15 3i21 n ARG 113 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3i21 h SER 114 N 0.33 0.06 -3.35 0.55 0.02 -1.94 -2.85 113.55 106.39 3i21 h SER 114 Ca 0.00 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.31 3i21 h SER 114 Cb 0.53 -0.01 -0.12 0.00 0.14 0.00 0.00 62.40 62.95 3i21 h SER 114 CO 0.00 0.03 -0.66 -0.54 -1.14 0.00 0.00 176.83 174.52 3i21 s LYS 115 N -5.06 2.56 -0.09 3.45 1.02 -1.26 -4.22 119.74 116.14 3i21 s LYS 115 Ca -0.05 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.10 3i21 s LYS 115 Cb 0.21 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 3i21 s LYS 115 CO 0.76 0.54 0.00 0.66 -0.92 0.00 0.00 175.35 176.39 3i21 n TYR 116 N 0.58 0.00 -3.24 3.18 4.01 -1.26 -4.52 117.16 115.90 3i21 n TYR 116 Ca -0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.49 3i21 n TYR 116 Cb 0.52 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 3i21 n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i21 n GLY 117 N -2.41 -0.74 3.11 2.72 0.00 -0.16 -2.46 105.19 105.25 3i21 n GLY 117 Ca -0.01 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 3i21 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i21 s VAL 118 N -2.57 1.72 0.69 1.61 1.01 -1.08 -4.04 120.40 117.75 3i21 s VAL 118 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3i21 s VAL 118 Cb -0.00 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3i21 s VAL 118 CO 0.51 0.48 1.08 -0.54 0.00 0.00 0.00 175.10 176.63 3i21 s LYS 119 N 0.78 2.96 0.21 2.72 1.02 -1.26 -4.70 119.74 121.47 3i21 s LYS 119 Ca -0.10 0.57 -0.32 0.00 0.02 0.00 0.00 55.97 56.15 3i21 s LYS 119 Cb -0.16 -2.02 -0.14 0.00 -0.52 0.00 0.00 37.83 34.99 3i21 s LYS 119 CO 0.01 -0.99 1.29 -2.13 -0.92 0.00 0.00 175.35 172.61 3i21 n ARG 120 N -3.00 1.63 0.00 1.68 0.63 -1.26 -5.02 116.66 111.32 3i21 n ARG 120 Ca 0.07 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 3i21 n ARG 120 Cb 0.56 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.31 3i21 n ARG 120 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3i21 n PRO 121 N 1.88 2.98 -3.15 -0.14 -0.04 -1.26 -5.09 135.00 130.17 3i21 n PRO 121 Ca 0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 3i21 n PRO 121 Cb 0.28 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.74 3i21 n PRO 121 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i21 s LYS 122 N 0.00 0.25 0.00 0.54 -2.85 -1.26 -5.30 119.74 111.11 3i21 s LYS 122 Ca 0.00 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.24 3i21 s LYS 122 Cb 0.00 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 3i21 s LYS 122 CO 0.00 -0.43 0.00 0.00 0.10 0.00 0.00 175.35 175.02