#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp s SER 2 N 0.00 -0.29 0.76 1.61 0.01 -1.26 -5.02 113.70 109.51 2crp s SER 2 Ca 0.00 0.56 -0.15 0.00 1.31 0.00 0.00 55.95 57.66 2crp s SER 2 Cb 0.00 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.75 2crp s SER 2 CO 0.00 -0.13 0.90 -0.24 0.41 0.00 0.00 173.24 174.18 2crp n SER 3 N 3.61 0.11 -4.88 2.44 2.88 -1.26 -4.98 113.62 111.55 2crp n SER 3 Ca -0.19 0.61 -0.30 0.00 -1.33 0.00 0.00 58.87 57.65 2crp n SER 3 Cb 0.56 -1.38 -0.03 0.00 -0.75 0.00 0.00 64.21 62.60 2crp n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crp s GLY 4 N -1.75 1.94 -0.16 0.46 0.00 -1.26 -5.09 107.32 101.46 2crp s GLY 4 Ca 0.71 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.90 2crp s GLY 4 CO 0.53 -0.06 0.81 -0.45 0.00 0.00 0.00 173.10 173.94 2crp s SER 5 N -3.15 -0.58 0.07 1.64 0.15 -1.26 -5.08 113.70 105.49 2crp s SER 5 Ca 0.50 0.84 -0.27 0.00 0.70 0.00 0.00 55.95 57.72 2crp s SER 5 Cb -0.10 0.75 -0.13 0.00 -1.71 0.00 0.00 66.02 64.83 2crp s SER 5 CO 0.31 -0.40 1.42 -1.28 1.20 0.00 0.00 173.24 174.49 2crp h SER 6 N 3.53 -1.08 -0.88 5.45 0.87 -2.07 -3.48 113.55 115.90 2crp h SER 6 Ca -0.26 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2crp h SER 6 Cb 1.15 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2crp h SER 6 CO 0.25 -0.50 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 2crp n GLY 7 N -1.42 3.97 3.69 5.77 0.00 -1.26 -5.16 105.19 110.77 2crp n GLY 7 Ca -0.09 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 2crp n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 8 N -2.46 0.62 -0.30 1.61 0.04 -1.26 -5.08 135.00 128.17 2crp s PRO 8 Ca 0.00 0.59 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 2crp s PRO 8 Cb 0.00 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.96 2crp s PRO 8 CO 0.00 -2.62 1.04 -2.00 0.04 0.00 0.00 177.00 173.46 2crp s GLU 9 N -4.95 0.25 -0.00 4.56 2.12 -1.26 -5.17 118.70 114.24 2crp s GLU 9 Ca 0.65 0.62 -0.01 0.00 0.36 0.00 0.00 54.97 56.59 2crp s GLU 9 Cb -0.18 0.37 -0.00 0.00 0.26 0.00 0.00 34.13 34.58 2crp s GLU 9 CO 0.57 -0.09 0.02 -1.59 -0.54 0.00 0.00 175.26 173.63 2crp s LYS 10 N 2.40 0.08 0.28 4.30 -2.85 -1.26 -5.17 119.74 117.52 2crp s LYS 10 Ca -0.02 -0.06 -0.05 0.00 -1.00 0.00 0.00 55.97 54.84 2crp s LYS 10 Cb -0.05 0.03 0.07 0.00 -2.06 0.00 0.00 37.83 35.82 2crp s LYS 10 CO -0.17 -0.01 0.25 -0.35 0.10 0.00 0.00 175.35 175.17 2crp n PRO 11 N 2.83 -1.51 -3.64 1.78 -0.04 -1.26 -5.10 135.00 128.06 2crp n PRO 11 Ca -0.14 -0.40 -0.09 0.00 -0.04 0.00 0.00 63.50 62.82 2crp n PRO 11 Cb 0.59 -0.38 -0.07 0.00 -0.04 0.00 0.00 33.50 33.60 2crp n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2crp s ALA 12 N -2.99 -1.78 0.09 0.55 0.00 -1.26 -5.17 121.76 111.20 2crp s ALA 12 Ca 0.16 2.23 -0.20 0.00 0.00 0.00 0.00 51.96 54.15 2crp s ALA 12 Cb -0.02 -1.31 0.05 0.00 0.00 0.00 0.00 23.12 21.84 2crp s ALA 12 CO 0.13 -0.36 0.49 0.21 0.00 0.00 0.00 175.76 176.23 2crp s LYS 13 N 1.26 1.08 0.38 0.00 2.47 -1.26 -5.18 119.74 118.48 2crp s LYS 13 Ca -0.07 -0.43 0.05 0.00 -1.56 0.00 0.00 55.97 53.95 2crp s LYS 13 Cb -0.05 0.49 -0.06 0.00 -1.46 0.00 0.00 37.83 36.74 2crp s LYS 13 CO -0.14 -0.41 0.04 -0.08 0.16 0.00 0.00 175.35 174.92 2crp s THR 14 N -3.10 1.43 0.20 3.43 -1.32 -1.26 -5.09 115.64 109.93 2crp s THR 14 Ca -0.02 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.25 2crp s THR 14 Cb 0.00 -2.78 0.08 0.00 -1.51 0.00 0.00 72.50 68.28 2crp s THR 14 CO -0.07 0.00 1.02 0.00 -2.21 0.00 0.00 174.62 173.36 2crp s GLN 15 N -3.81 1.38 0.65 7.08 0.00 -1.26 -5.18 119.66 118.52 2crp s GLN 15 Ca 0.32 -0.89 0.02 0.00 -0.00 0.00 0.00 55.36 54.81 2crp s GLN 15 Cb 0.08 0.38 0.10 0.00 0.00 0.00 0.00 33.01 33.57 2crp s GLN 15 CO 0.15 -0.65 0.90 0.15 0.00 0.00 0.00 175.29 175.84 2crp s LYS 16 N -2.13 2.00 -0.06 9.60 1.02 -1.26 -4.80 119.74 124.11 2crp s LYS 16 Ca 0.22 -1.15 0.02 0.00 0.02 0.00 0.00 55.97 55.08 2crp s LYS 16 Cb -0.03 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2crp s LYS 16 CO 0.06 -1.16 -0.12 0.99 -0.92 0.00 0.00 175.35 174.20 2crp s THR 17 N -2.95 3.26 0.27 2.17 2.01 -1.26 -5.04 115.64 114.09 2crp s THR 17 Ca 0.63 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 62.05 2crp s THR 17 Cb -0.07 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 2crp s THR 17 CO 0.42 0.59 0.32 -0.44 -0.69 0.00 0.00 174.62 174.82 2crp s SER 18 N -0.67 5.89 0.09 3.53 0.01 -1.26 -4.96 113.70 116.32 2crp s SER 18 Ca 0.10 -0.14 -0.33 0.00 1.31 0.00 0.00 55.95 56.88 2crp s SER 18 Cb -0.11 -1.50 -0.16 0.00 0.21 0.00 0.00 66.02 64.46 2crp s SER 18 CO 0.01 -0.16 1.60 0.25 0.41 0.00 0.00 173.24 175.35 2crp h LEU 19 N 1.23 -1.07 -0.56 2.44 7.12 -1.85 0.22 115.31 122.83 2crp h LEU 19 Ca -0.49 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.60 2crp h LEU 19 Cb 1.24 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 2crp h LEU 19 CO 0.59 -0.59 0.10 0.47 -0.13 0.00 0.00 178.44 178.89 2crp n ASP 20 N -5.52 0.22 -0.07 1.25 9.92 -1.26 -2.26 116.55 118.83 2crp n ASP 20 Ca -0.12 0.54 -0.06 0.00 -0.53 0.00 0.00 54.79 54.62 2crp n ASP 20 Cb 0.41 -0.55 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 2crp n ASP 20 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2crp h GLU 21 N 0.00 0.00 -1.71 -1.24 4.81 -1.47 -3.33 114.58 111.64 2crp h GLU 21 Ca 0.00 0.00 0.52 0.00 -0.13 0.00 0.00 59.36 59.75 2crp h GLU 21 Cb 0.21 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.49 2crp h GLU 21 CO 0.00 0.08 1.19 0.00 -0.73 0.00 0.00 179.01 179.55 2crp h ALA 22 N -0.96 3.44 -0.21 2.92 0.00 -0.59 1.67 119.26 125.53 2crp h ALA 22 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2crp h ALA 22 Cb 0.55 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2crp h ALA 22 CO -0.02 -2.03 -0.62 -0.07 0.00 0.00 0.00 179.25 176.51 2crp h LEU 23 N 0.01 0.84 -2.11 0.00 3.38 -1.70 -2.98 115.31 112.75 2crp h LEU 23 Ca 0.89 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 58.43 2crp h LEU 23 Cb 3.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 43.81 2crp h LEU 23 CO -0.17 1.26 0.32 1.56 0.09 0.00 0.00 178.44 181.50 2crp h GLN 24 N 0.55 0.00 0.00 1.13 4.20 0.24 0.41 115.11 121.64 2crp h GLN 24 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2crp h GLN 24 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2crp h GLN 24 CO 0.13 0.00 -0.19 -1.49 -0.67 0.00 0.00 178.83 176.61 2crp h TRP 25 N 0.00 0.00 -0.22 2.96 6.55 -1.44 -3.01 115.95 120.78 2crp h TRP 25 Ca 0.10 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.75 2crp h TRP 25 Cb 0.74 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.04 2crp h TRP 25 CO 0.00 0.19 -0.62 0.00 -1.05 0.00 0.00 178.44 176.96 2crp h ARG 26 N 0.00 0.76 0.64 0.49 3.08 -0.32 -3.31 114.38 115.72 2crp h ARG 26 Ca -0.00 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 2crp h ARG 26 Cb 0.70 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2crp h ARG 26 CO 0.02 1.15 -0.50 0.22 -1.07 0.00 0.00 179.97 179.79 2crp h ASP 27 N 0.57 -1.33 -3.39 7.04 1.82 -1.57 -3.43 116.42 116.13 2crp h ASP 27 Ca -0.01 0.09 -0.41 0.00 -0.39 0.00 0.00 57.03 56.32 2crp h ASP 27 Cb 1.21 0.42 -0.35 0.00 0.68 0.00 0.00 39.33 41.29 2crp h ASP 27 CO 0.13 -0.71 -0.77 -0.44 -1.61 0.00 0.00 179.24 175.84 2crp s SER 28 N -4.28 1.10 0.33 2.28 0.01 -1.23 -5.02 113.70 106.88 2crp s SER 28 Ca -0.18 -0.10 0.12 0.00 1.31 0.00 0.00 55.95 57.09 2crp s SER 28 Cb 0.04 -0.42 0.94 0.00 0.21 0.00 0.00 66.02 66.79 2crp s SER 28 CO 0.60 -0.11 1.73 0.25 0.41 0.00 0.00 173.24 176.13 2crp h LEU 29 N 7.57 0.62 -0.67 2.44 5.85 -1.84 -0.83 115.31 128.46 2crp h LEU 29 Ca -0.33 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.65 2crp h LEU 29 Cb 1.14 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.08 2crp h LEU 29 CO 0.40 0.08 -0.31 -0.78 -0.34 0.00 0.00 178.44 177.49 2crp h ASP 30 N 0.53 -1.10 -1.05 1.25 1.82 -1.93 0.46 116.42 116.39 2crp h ASP 30 Ca 0.65 0.24 0.28 0.00 -0.39 0.00 0.00 57.03 57.80 2crp h ASP 30 Cb 1.32 0.57 -0.11 0.00 0.68 0.00 0.00 39.33 41.80 2crp h ASP 30 CO -0.46 -0.29 0.66 0.11 -1.61 0.00 0.00 179.24 177.65 2crp h LYS 31 N -0.11 0.40 0.35 0.28 1.57 -1.45 0.16 116.57 117.77 2crp h LYS 31 Ca 0.27 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2crp h LYS 31 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2crp h LYS 31 CO -0.73 0.26 -0.17 1.25 -0.57 0.00 0.00 179.45 179.49 2crp h LEU 32 N 0.41 -0.40 -0.79 2.94 5.85 -0.18 -2.67 115.31 120.48 2crp h LEU 32 Ca 0.64 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.55 2crp h LEU 32 Cb 1.54 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.56 2crp h LEU 32 CO -0.37 -0.18 0.24 -0.07 -0.34 0.00 0.00 178.44 177.72 2crp h LEU 33 N -0.68 0.11 -0.65 2.25 3.38 -0.80 0.51 115.31 119.43 2crp h LEU 33 Ca -0.05 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2crp h LEU 33 Cb 0.36 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 2crp h LEU 33 CO 0.08 -0.02 0.27 1.56 0.09 0.00 0.00 178.44 180.42 2crp h GLN 34 N 0.32 0.45 -6.41 1.13 1.08 -0.75 -3.40 115.11 107.53 2crp h GLN 34 Ca 0.46 -0.03 -0.54 0.00 -1.45 0.00 0.00 58.65 57.09 2crp h GLN 34 Cb 0.80 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2crp h GLN 34 CO -0.51 0.30 0.70 -0.80 -0.95 0.00 0.00 178.83 177.57 2crp s ASN 35 N -5.42 6.97 0.11 1.46 -0.87 0.16 -4.94 114.94 112.42 2crp s ASN 35 Ca -0.13 2.03 -0.26 0.00 -1.57 0.00 0.00 52.86 52.93 2crp s ASN 35 Cb 0.18 -2.57 -0.09 0.00 -0.02 0.00 0.00 41.25 38.75 2crp s ASN 35 CO 0.75 -0.60 1.66 -0.55 -2.57 0.00 0.00 177.10 175.79 2crp h ASN 36 N 7.29 -0.55 0.26 -1.22 -1.07 -1.81 0.32 115.58 118.80 2crp h ASN 36 Ca -0.39 0.07 0.01 0.00 0.07 0.00 0.00 56.30 56.06 2crp h ASN 36 Cb 1.19 0.21 -0.03 0.00 -2.07 0.00 0.00 38.32 37.62 2crp h ASN 36 CO 0.86 -0.28 -0.34 0.22 0.07 0.00 0.00 177.43 177.97 2crp h TYR 37 N -0.36 -0.92 -0.85 4.14 3.20 -1.90 0.13 116.97 120.40 2crp h TYR 37 Ca 0.03 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2crp h TYR 37 Cb 0.39 0.37 -0.06 0.00 1.54 0.00 0.00 36.73 38.98 2crp h TYR 37 CO -0.20 -0.47 0.53 0.78 -1.64 0.00 0.00 178.16 177.17 2crp h GLY 38 N -0.65 1.26 0.76 1.82 0.00 -1.74 -2.01 103.07 102.50 2crp h GLY 38 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 2crp h GLY 38 CO -0.12 0.30 -0.36 -2.00 0.00 0.00 0.00 176.54 174.36 2crp h LEU 39 N 1.00 -0.86 -0.79 3.11 5.85 0.04 0.43 115.31 124.09 2crp h LEU 39 Ca 0.36 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.28 2crp h LEU 39 Cb 0.10 0.22 -0.15 0.00 0.37 0.00 0.00 40.66 41.21 2crp h LEU 39 CO -0.15 -0.55 -0.10 0.00 -0.34 0.00 0.00 178.44 177.30 2crp h ALA 40 N -1.40 0.68 -0.30 1.25 0.00 -0.68 0.12 119.26 118.93 2crp h ALA 40 Ca -0.10 0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2crp h ALA 40 Cb 0.78 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2crp h ALA 40 CO 0.17 -0.43 -0.20 0.77 0.00 0.00 0.00 179.25 179.56 2crp h SER 41 N 0.04 0.70 -0.80 0.00 0.02 -1.33 -3.09 113.55 109.09 2crp h SER 41 Ca 0.41 -0.44 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2crp h SER 41 Cb 0.69 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.96 2crp h SER 41 CO -0.76 0.98 0.42 0.15 -1.14 0.00 0.00 176.83 176.48 2crp h PHE 42 N 0.41 0.76 0.53 3.45 3.57 0.22 -2.53 116.94 123.35 2crp h PHE 42 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2crp h PHE 42 Cb 0.75 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2crp h PHE 42 CO 0.07 0.25 -0.32 0.87 -2.23 0.00 0.00 178.31 176.94 2crp h LYS 43 N 0.67 -0.77 -0.99 1.11 1.57 -0.85 -2.82 116.57 114.50 2crp h LYS 43 Ca 0.41 0.05 0.30 0.00 -1.87 0.00 0.00 60.65 59.54 2crp h LYS 43 Cb 0.48 0.17 -0.18 0.00 0.08 0.00 0.00 32.23 32.78 2crp h LYS 43 CO -0.30 -0.51 0.12 1.03 -0.57 0.00 0.00 179.45 179.22 2crp h SER 44 N -0.80 -0.32 -0.96 0.86 0.87 -1.43 1.13 113.55 112.90 2crp h SER 44 Ca -0.07 0.27 0.17 0.00 -1.23 0.00 0.00 61.79 60.93 2crp h SER 44 Cb 0.63 0.44 -0.10 0.00 -0.44 0.00 0.00 62.40 62.94 2crp h SER 44 CO 0.08 -0.36 0.56 0.15 -0.53 0.00 0.00 176.83 176.72 2crp h PHE 45 N 0.01 0.99 0.14 2.24 3.57 -1.21 -2.19 116.94 120.50 2crp h PHE 45 Ca 0.64 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 62.17 2crp h PHE 45 Cb 1.41 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2crp h PHE 45 CO -0.41 0.26 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.79 2crp h LEU 46 N 0.76 -0.16 -0.99 0.59 4.07 0.14 -2.99 115.31 116.73 2crp h LEU 46 Ca 0.53 -0.39 0.35 0.00 0.08 0.00 0.00 57.88 58.46 2crp h LEU 46 Cb 0.75 0.04 -0.17 0.00 1.08 0.00 0.00 40.66 42.36 2crp h LEU 46 CO -0.36 0.38 0.39 0.11 -1.08 0.00 0.00 178.44 177.89 2crp h LYS 47 N -0.79 0.07 -0.25 1.13 1.57 -0.81 1.60 116.57 119.09 2crp h LYS 47 Ca -0.02 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2crp h LYS 47 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2crp h LYS 47 CO 0.03 0.04 -0.42 0.66 -0.57 0.00 0.00 179.45 179.19 2crp h SER 48 N 0.07 0.65 0.74 0.86 4.64 -1.44 -2.79 113.55 116.28 2crp h SER 48 Ca 0.75 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2crp h SER 48 Cb 1.82 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 2crp h SER 48 CO -0.77 0.99 -0.26 -0.62 -0.87 0.00 0.00 176.83 175.30 2crp n GLU 49 N -4.02 0.00 -2.40 4.77 -0.58 0.45 -4.93 120.64 113.93 2crp n GLU 49 Ca -0.02 -0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 2crp n GLU 49 Cb 0.53 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 2crp n GLU 49 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2crp n PHE 50 N -1.50 -0.76 -1.93 -0.32 3.01 0.40 -4.92 117.46 111.44 2crp n PHE 50 Ca 0.06 0.12 0.03 0.00 1.01 0.00 0.00 57.45 58.67 2crp n PHE 50 Cb 0.34 -2.76 0.14 0.00 -0.01 0.00 0.00 39.48 37.19 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2crp n SER 51 N -0.36 1.70 0.22 4.37 7.64 -1.02 -4.75 113.62 121.43 2crp n SER 51 Ca -0.11 -3.29 0.11 0.00 1.01 0.00 0.00 58.87 56.60 2crp n SER 51 Cb 0.59 -0.45 0.41 0.00 -1.01 0.00 0.00 64.21 63.74 2crp n SER 51 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2crp h GLU 52 N 1.12 0.00 -0.84 1.43 4.81 -1.91 -3.13 114.58 116.05 2crp h GLU 52 Ca -0.05 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.38 2crp h GLU 52 Cb 1.30 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 2crp h GLU 52 CO 0.08 0.17 0.57 1.05 -0.73 0.00 0.00 179.01 180.15 2crp h GLU 53 N 0.00 0.30 -0.58 1.92 9.09 -1.87 0.26 114.58 123.71 2crp h GLU 53 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2crp h GLU 53 Cb 0.82 -0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 27.82 2crp h GLU 53 CO 0.02 0.20 0.37 -0.91 0.05 0.00 0.00 179.01 178.74 2crp h ASN 54 N 0.31 0.68 -0.08 3.06 4.21 -1.83 -2.80 115.58 119.11 2crp h ASN 54 Ca 0.43 -0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.82 2crp h ASN 54 Cb 1.19 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 2crp h ASN 54 CO -0.12 0.51 -0.25 0.25 -1.29 0.00 0.00 177.43 176.53 2crp h LEU 55 N 0.78 0.37 -0.79 1.61 6.46 -1.20 -3.30 115.31 119.24 2crp h LEU 55 Ca 0.21 -0.60 0.10 0.00 -0.12 0.00 0.00 57.88 57.47 2crp h LEU 55 Cb -0.06 -0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 39.64 2crp h LEU 55 CO -0.04 0.91 -0.49 -0.33 -0.62 0.00 0.00 178.44 177.86 2crp h GLU 56 N -0.15 -0.12 -1.03 1.25 4.39 -1.08 0.69 114.58 118.52 2crp h GLU 56 Ca -0.01 0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.96 2crp h GLU 56 Cb 0.87 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.45 2crp h GLU 56 CO 0.05 -0.08 0.65 0.35 -1.16 0.00 0.00 179.01 178.83 2crp h PHE 57 N -0.12 0.74 0.65 4.33 3.57 -1.59 -0.46 116.94 124.07 2crp h PHE 57 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2crp h PHE 57 Cb 0.52 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.05 2crp h PHE 57 CO -0.85 0.07 -0.31 2.35 -2.23 0.00 0.00 178.31 177.33 2crp h TRP 58 N 0.45 -0.81 -0.78 0.41 7.01 0.26 -2.16 115.95 120.34 2crp h TRP 58 Ca 0.60 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.76 2crp h TRP 58 Cb 1.42 0.27 -0.11 0.00 -2.10 0.00 0.00 29.16 28.63 2crp h TRP 58 CO -0.00 -0.50 0.22 0.82 -2.79 0.00 0.00 178.44 176.18 2crp h ILE 59 N -1.23 0.49 -0.37 2.65 2.04 -0.41 -0.20 117.51 120.48 2crp h ILE 59 Ca -0.09 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2crp h ILE 59 Cb 0.67 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2crp h ILE 59 CO 0.15 0.05 0.22 0.00 0.00 0.00 0.00 178.15 178.57 2crp h ALA 60 N 1.64 0.47 -0.42 1.87 0.00 -1.13 -2.40 119.26 119.29 2crp h ALA 60 Ca 0.45 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.42 2crp h ALA 60 Cb 0.79 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 2crp h ALA 60 CO -0.52 -0.12 -0.42 0.00 0.00 0.00 0.00 179.25 178.19 2crp h GLU 62 N -0.31 0.82 0.00 0.00 4.39 -1.34 0.13 114.58 118.27 2crp h GLU 62 Ca 0.15 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2crp h GLU 62 Cb 0.58 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2crp h GLU 62 CO -0.58 0.54 0.00 0.22 -1.16 0.00 0.00 179.01 178.03 2crp h ASP 63 N 0.85 0.00 0.39 1.42 1.82 -0.26 -2.76 116.42 117.87 2crp h ASP 63 Ca 0.31 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.64 2crp h ASP 63 Cb 0.17 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.12 2crp h ASP 63 CO -0.10 0.00 -1.84 0.00 -1.61 0.00 0.00 179.24 175.69 2crp n TYR 64 N -2.46 0.85 0.17 0.28 4.19 0.37 -4.07 117.16 116.50 2crp n TYR 64 Ca 0.02 0.30 0.04 0.00 3.31 0.00 0.00 57.90 61.56 2crp n TYR 64 Cb 0.24 -1.15 0.45 0.00 0.49 0.00 0.00 39.34 39.37 2crp n TYR 64 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 2crp h LYS 65 N 0.00 0.12 -0.79 2.98 1.79 -1.01 -1.48 116.57 118.19 2crp h LYS 65 Ca -0.34 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2crp h LYS 65 Cb 2.05 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 2crp h LYS 65 CO 0.07 0.27 0.00 0.36 -1.08 0.00 0.00 179.45 179.07 2crp n LYS 66 N -4.31 1.50 -3.28 3.15 2.85 -1.20 -4.73 118.16 112.15 2crp n LYS 66 Ca -0.02 -0.44 -0.45 0.00 -1.05 0.00 0.00 58.31 56.36 2crp n LYS 66 Cb 0.25 -1.52 -0.06 0.00 -0.65 0.00 0.00 35.03 33.05 2crp n LYS 66 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2crp s ILE 67 N -1.36 5.09 -0.03 0.58 1.01 -0.56 -4.90 121.20 121.02 2crp s ILE 67 Ca 0.08 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 2crp s ILE 67 Cb 0.06 -4.25 -0.31 0.00 0.01 0.00 0.00 42.46 37.97 2crp s ILE 67 CO 0.03 -0.75 0.72 0.07 0.00 0.00 0.00 174.94 175.01 2crp h LYS 68 N 8.89 0.39 -6.06 2.79 5.09 -1.88 -3.43 116.57 122.36 2crp h LYS 68 Ca -0.29 -0.67 -0.70 0.00 0.09 0.00 0.00 60.65 59.09 2crp h LYS 68 Cb 1.10 0.25 0.09 0.00 0.10 0.00 0.00 32.23 33.77 2crp h LYS 68 CO 0.95 1.30 -0.24 0.43 -2.09 0.00 0.00 179.45 179.81 2crp n SER 69 N -3.58 -0.47 0.17 7.07 7.64 -1.26 -4.85 113.62 118.34 2crp n SER 69 Ca -0.23 1.14 0.01 0.00 1.01 0.00 0.00 58.87 60.81 2crp n SER 69 Cb 1.08 -0.99 0.29 0.00 -1.01 0.00 0.00 64.21 63.58 2crp n SER 69 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2crp h PRO 70 N 1.88 0.00 0.00 1.43 0.13 -1.95 -2.61 132.00 130.88 2crp h PRO 70 Ca -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2crp h PRO 70 Cb 1.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 2crp h PRO 70 CO 0.61 0.46 -0.25 0.00 -0.23 0.00 0.00 178.00 178.59 2crp h ALA 71 N 1.54 0.01 -0.79 -0.56 0.00 -1.99 -3.34 119.26 114.12 2crp h ALA 71 Ca -0.00 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 54.83 2crp h ALA 71 Cb 0.84 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 2crp h ALA 71 CO 0.06 0.24 0.13 -0.22 0.00 0.00 0.00 179.25 179.45 2crp h LYS 72 N -1.00 0.18 -1.00 0.00 1.63 -1.95 0.51 116.57 114.93 2crp h LYS 72 Ca -0.01 -0.01 0.23 0.00 -0.85 0.00 0.00 60.65 60.01 2crp h LYS 72 Cb 0.27 -0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.76 2crp h LYS 72 CO -0.00 0.12 0.63 0.52 -3.45 0.00 0.00 179.45 177.26 2crp h MET 73 N 0.18 0.55 0.00 1.90 2.86 -1.64 0.69 114.93 119.48 2crp h MET 73 Ca 0.46 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 58.02 2crp h MET 73 Cb 0.84 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 2crp h MET 73 CO -0.62 0.36 -0.52 0.00 1.06 0.00 0.00 176.91 177.19 2crp h ALA 74 N 1.65 0.05 0.13 6.32 0.00 -0.38 -3.27 119.26 123.75 2crp h ALA 74 Ca 0.58 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2crp h ALA 74 Cb 1.19 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2crp h ALA 74 CO -0.34 0.41 -0.38 0.93 0.00 0.00 0.00 179.25 179.86 2crp h GLU 75 N -1.00 -0.60 -0.68 0.00 5.08 -0.06 -2.25 114.58 115.07 2crp h GLU 75 Ca -0.07 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.48 2crp h GLU 75 Cb 0.59 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.86 2crp h GLU 75 CO -0.04 -0.40 0.01 -0.22 -1.00 0.00 0.00 179.01 177.36 2crp h LYS 76 N -0.62 0.11 -0.81 2.33 1.63 0.21 0.28 116.57 119.69 2crp h LYS 76 Ca 0.02 -0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.02 2crp h LYS 76 Cb 0.65 -0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 32.12 2crp h LYS 76 CO -0.22 0.08 0.11 0.00 -3.45 0.00 0.00 179.45 175.96 2crp h ALA 77 N 1.63 1.01 -0.46 5.00 0.00 -1.46 0.31 119.26 125.28 2crp h ALA 77 Ca 0.37 0.23 -0.11 0.00 0.00 0.00 0.00 54.91 55.40 2crp h ALA 77 Cb 0.62 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2crp h ALA 77 CO -0.59 -0.44 -0.15 1.57 0.00 0.00 0.00 179.25 179.64 2crp h LYS 78 N 0.15 0.87 -0.24 0.00 2.10 -0.80 -2.76 116.57 115.90 2crp h LYS 78 Ca 0.48 -0.33 0.05 0.00 -2.00 0.00 0.00 60.65 58.85 2crp h LYS 78 Cb 0.89 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 32.12 2crp h LYS 78 CO -0.66 0.97 -0.09 1.96 -2.00 0.00 0.00 179.45 179.63 2crp h GLN 79 N 0.77 -0.04 0.00 0.07 4.20 0.24 0.39 115.11 120.75 2crp h GLN 79 Ca 0.12 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2crp h GLN 79 Cb 0.68 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2crp h GLN 79 CO 0.05 -0.03 -0.21 0.82 -0.67 0.00 0.00 178.83 178.80 2crp h ILE 80 N -0.04 1.09 -0.02 2.54 2.04 -1.28 -2.73 117.51 119.10 2crp h ILE 80 Ca 0.12 -0.72 -0.11 0.00 1.00 0.00 0.00 64.86 65.15 2crp h ILE 80 Cb 0.23 1.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2crp h ILE 80 CO -0.27 0.20 -0.41 0.22 0.00 0.00 0.00 178.15 177.89 2crp h TYR 81 N 0.00 0.45 0.00 1.37 5.03 -0.87 0.39 116.97 123.34 2crp h TYR 81 Ca -0.00 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.08 2crp h TYR 81 Cb 0.38 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.60 2crp h TYR 81 CO 0.00 1.02 0.00 0.39 -1.32 0.00 0.00 178.16 178.25 2crp n GLU 82 N -4.37 0.04 -0.08 1.82 1.02 0.12 0.23 120.64 119.43 2crp n GLU 82 Ca -0.10 0.31 -0.17 0.00 -0.02 0.00 0.00 57.16 57.18 2crp n GLU 82 Cb 0.57 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crp n GLU 83 N -1.41 0.40 -0.10 3.49 2.13 -1.05 -4.59 120.64 119.50 2crp n GLU 83 Ca 0.03 0.17 -0.18 0.00 0.66 0.00 0.00 57.16 57.83 2crp n GLU 83 Cb 0.08 -1.17 -0.06 0.00 0.27 0.00 0.00 31.44 30.55 2crp n GLU 83 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2crp n PHE 84 N -3.94 0.00 0.95 4.31 3.72 0.12 -3.58 117.46 119.04 2crp n PHE 84 Ca -0.31 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 2crp n PHE 84 Cb 0.67 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 2crp n PHE 84 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2crp n ILE 85 N -4.25 0.88 -4.09 4.37 2.08 0.33 -4.01 119.36 114.68 2crp n ILE 85 Ca -0.32 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.68 2crp n ILE 85 Cb 0.67 -0.94 -0.07 0.00 -0.75 0.00 0.00 39.64 38.56 2crp n ILE 85 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2crp s GLN 86 N -0.03 2.88 0.01 0.38 0.74 0.63 -4.61 119.66 119.66 2crp s GLN 86 Ca 0.00 -0.65 -0.32 0.00 0.05 0.00 0.00 55.36 54.44 2crp s GLN 86 Cb 0.00 -2.73 -0.10 0.00 1.10 0.00 0.00 33.01 31.28 2crp s GLN 86 CO 0.00 0.59 1.92 2.41 -0.55 0.00 0.00 175.29 179.66 2crp n THR 87 N 0.70 0.65 -2.19 -0.34 -1.04 -1.26 -1.26 114.28 109.53 2crp n THR 87 Ca -0.10 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 2crp n THR 87 Cb 0.52 -2.14 -0.02 0.00 -1.82 0.00 0.00 70.33 66.87 2crp n THR 87 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2crp n GLU 88 N 6.93 -1.94 -0.79 -2.82 -0.58 -1.26 -4.90 120.64 115.28 2crp n GLU 88 Ca 0.21 0.70 -0.34 0.00 -0.42 0.00 0.00 57.16 57.31 2crp n GLU 88 Cb 0.37 -5.23 0.12 0.00 -0.57 0.00 0.00 31.44 26.13 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2crp n ALA 89 N -1.55 -3.78 0.05 0.62 0.00 -0.39 -4.89 120.51 110.57 2crp n ALA 89 Ca -0.16 -0.94 -0.05 0.00 0.00 0.00 0.00 53.44 52.29 2crp n ALA 89 Cb 0.59 -1.54 0.15 0.00 0.00 0.00 0.00 19.45 18.65 2crp n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2crp h PRO 90 N -1.65 0.38 0.00 0.00 0.13 -1.90 -3.23 132.00 125.72 2crp h PRO 90 Ca -0.47 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2crp h PRO 90 Cb 1.32 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2crp h PRO 90 CO 0.33 0.76 -0.03 1.63 -0.23 0.00 0.00 178.00 180.46 2crp n LYS 91 N -4.00 1.66 -1.44 0.86 5.02 -1.23 -5.03 118.16 114.00 2crp n LYS 91 Ca -0.02 -2.10 -0.46 0.00 -2.02 0.00 0.00 58.31 53.71 2crp n LYS 91 Cb 0.52 -1.26 -0.13 0.00 -0.02 0.00 0.00 35.03 34.15 2crp n LYS 91 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2crp n GLU 92 N -1.03 0.17 -0.37 1.97 2.13 -1.22 -4.73 120.64 117.56 2crp n GLU 92 Ca 0.10 0.02 -0.28 0.00 0.66 0.00 0.00 57.16 57.66 2crp n GLU 92 Cb 0.53 -1.74 0.26 0.00 0.27 0.00 0.00 31.44 30.75 2crp n GLU 92 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2crp n VAL 93 N 7.27 0.00 -3.00 6.31 0.24 -1.26 -4.91 118.33 122.98 2crp n VAL 93 Ca 0.59 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.34 62.28 2crp n VAL 93 Cb 0.07 -0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 31.51 2crp n VAL 93 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2crp s ASN 94 N -2.63 6.27 -0.17 -1.34 3.84 -1.26 -4.98 114.94 114.68 2crp s ASN 94 Ca 0.62 -1.42 -0.04 0.00 0.21 0.00 0.00 52.86 52.23 2crp s ASN 94 Cb -0.15 -2.36 0.07 0.00 -0.55 0.00 0.00 41.25 38.26 2crp s ASN 94 CO 0.57 -1.20 0.14 0.27 -2.79 0.00 0.00 177.10 174.08 2crp s ILE 95 N 3.08 -0.19 0.98 -5.21 -4.36 -1.26 -4.78 121.20 109.46 2crp s ILE 95 Ca 0.19 -0.06 -0.15 0.00 -0.26 0.00 0.00 60.65 60.36 2crp s ILE 95 Cb -0.18 -0.56 -0.03 0.00 1.25 0.00 0.00 42.46 42.94 2crp s ILE 95 CO 0.05 -0.18 -0.14 -0.67 0.24 0.00 0.00 174.94 174.23 2crp n ASP 96 N 5.30 -3.49 -0.33 4.36 2.03 -1.26 -4.21 116.55 118.95 2crp n ASP 96 Ca -0.06 0.22 0.16 0.00 0.52 0.00 0.00 54.79 55.63 2crp n ASP 96 Cb 0.49 -1.00 0.39 0.00 -0.72 0.00 0.00 41.12 40.29 2crp n ASP 96 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2crp h HIS 97 N -1.39 0.90 -0.02 -0.67 3.86 -2.01 -0.45 115.15 115.38 2crp h HIS 97 Ca -0.44 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2crp h HIS 97 Cb 1.30 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2crp h HIS 97 CO 0.29 0.17 -0.08 0.35 0.86 0.00 0.00 177.93 179.52 2crp h PHE 98 N 0.62 -0.24 0.30 2.45 3.57 -2.00 0.32 116.94 121.96 2crp h PHE 98 Ca 0.57 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 2crp h PHE 98 Cb 1.09 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2crp h PHE 98 CO -0.00 -0.08 -0.15 1.15 -2.23 0.00 0.00 178.31 177.00 2crp h THR 99 N -0.09 0.72 -0.88 4.41 2.02 -1.79 -2.52 112.91 114.78 2crp h THR 99 Ca 0.00 -0.19 0.23 0.00 0.77 0.00 0.00 66.41 67.23 2crp h THR 99 Cb 0.10 0.83 -0.15 0.00 -1.74 0.00 0.00 68.15 67.19 2crp h THR 99 CO -0.07 0.04 0.09 0.50 0.37 0.00 0.00 175.52 176.46 2crp h LYS 100 N -0.50 0.10 -0.40 6.66 3.11 -1.01 0.32 116.57 124.84 2crp h LYS 100 Ca -0.04 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 2crp h LYS 100 Cb 0.38 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 2crp h LYS 100 CO 0.07 0.06 0.18 0.22 -2.81 0.00 0.00 179.45 177.18 2crp h ASP 101 N 0.10 0.54 -0.28 4.20 3.58 -0.18 -3.21 116.42 121.16 2crp h ASP 101 Ca 0.53 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.87 2crp h ASP 101 Cb 1.05 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.91 2crp h ASP 101 CO -0.76 0.53 -0.32 0.40 -2.88 0.00 0.00 179.24 176.21 2crp h ILE 102 N 0.51 0.00 -0.99 2.25 1.08 0.08 -1.25 117.51 119.19 2crp h ILE 102 Ca 0.14 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.78 2crp h ILE 102 Cb 0.14 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.72 2crp h ILE 102 CO -0.02 0.00 -0.35 0.74 -0.69 0.00 0.00 178.15 177.84 2crp h THR 103 N -0.19 0.00 -0.42 -0.27 2.02 -1.50 0.13 112.91 112.69 2crp h THR 103 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 2crp h THR 103 Cb 0.32 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.64 2crp h THR 103 CO -0.37 0.00 -0.42 0.24 0.37 0.00 0.00 175.52 175.34 2crp h MET 104 N -0.00 -0.31 0.00 6.66 2.86 -1.26 0.84 114.93 123.73 2crp h MET 104 Ca 0.39 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2crp h MET 104 Cb 0.64 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2crp h MET 104 CO -1.00 -0.20 0.00 0.87 1.06 0.00 0.00 176.91 177.64 2crp h LYS 105 N -0.32 0.00 -0.02 1.72 1.57 -0.33 0.24 116.57 119.43 2crp h LYS 105 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2crp h LYS 105 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2crp h LYS 105 CO -0.58 0.00 -0.02 0.09 -0.57 0.00 0.00 179.45 178.37 2crp n ASN 106 N -2.50 2.25 -0.47 0.86 3.02 0.28 -3.93 115.26 114.78 2crp n ASN 106 Ca -0.02 -1.74 0.13 0.00 -0.03 0.00 0.00 54.58 52.93 2crp n ASN 106 Cb 0.06 0.02 0.50 0.00 -0.61 0.00 0.00 39.78 39.74 2crp n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2crp n LEU 107 N 0.74 1.46 -0.00 3.41 4.77 0.84 -2.58 117.00 125.64 2crp n LEU 107 Ca 0.16 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.39 2crp n LEU 107 Cb 0.48 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 2crp n LEU 107 CO 0.16 0.27 -0.60 1.62 -1.33 0.00 0.00 177.39 177.51 2crp h VAL 108 N 2.16 0.84 -0.87 4.08 3.04 -1.69 -3.41 116.25 120.40 2crp h VAL 108 Ca 0.00 -2.35 -0.40 0.00 -1.01 0.00 0.00 66.70 62.94 2crp h VAL 108 Cb 0.46 2.56 -0.41 0.00 -2.01 0.00 0.00 31.29 31.89 2crp h VAL 108 CO 0.00 0.73 -1.02 -0.62 -1.01 0.00 0.00 177.57 175.65 2crp n GLU 109 N -3.80 2.19 -2.24 4.17 -0.58 -1.25 -5.10 120.64 114.03 2crp n GLU 109 Ca -0.29 -3.73 -0.41 0.00 -0.42 0.00 0.00 57.16 52.32 2crp n GLU 109 Cb 0.94 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 30.05 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2crp s PRO 110 N -3.50 4.43 0.05 3.49 0.04 -1.06 -4.93 135.00 133.51 2crp s PRO 110 Ca 0.35 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2crp s PRO 110 Cb 0.40 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2crp s PRO 110 CO -0.03 -0.13 0.00 0.43 0.04 0.00 0.00 177.00 177.31 2crp n SER 111 N 1.68 0.04 0.00 6.66 7.64 -1.26 -4.54 113.62 123.84 2crp n SER 111 Ca 0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2crp n SER 111 Cb 0.43 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2crp n SER 111 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2crp n LEU 112 N -2.70 0.57 -1.25 -3.43 4.77 -1.26 -4.80 117.00 108.91 2crp n LEU 112 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2crp n LEU 112 Cb 0.00 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 2crp n LEU 112 CO 0.00 -0.04 0.62 -1.20 -1.33 0.00 0.00 177.39 175.44 2crp n SER 113 N -2.15 3.22 -0.01 -1.43 7.64 -1.26 -4.48 113.62 115.16 2crp n SER 113 Ca 0.00 -2.51 -0.12 0.00 1.01 0.00 0.00 58.87 57.26 2crp n SER 113 Cb 0.16 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 2crp n SER 113 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2crp h SER 114 N 1.47 -1.26 -0.90 6.43 0.02 -1.89 -1.24 113.55 116.19 2crp h SER 114 Ca 0.08 0.17 -0.54 0.00 -0.84 0.00 0.00 61.79 60.66 2crp h SER 114 Cb 1.36 0.52 -0.27 0.00 0.14 0.00 0.00 62.40 64.15 2crp h SER 114 CO 0.30 -0.41 0.69 0.49 -1.14 0.00 0.00 176.83 176.76 2crp n PHE 115 N -5.43 2.85 -0.02 3.45 3.01 -1.26 -4.55 117.46 115.51 2crp n PHE 115 Ca -0.04 -2.24 0.02 0.00 1.01 0.00 0.00 57.45 56.20 2crp n PHE 115 Cb 0.35 -1.11 0.37 0.00 -0.01 0.00 0.00 39.48 39.08 2crp n PHE 115 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2crp h ASP 116 N 1.37 0.51 0.00 4.37 3.58 -1.52 -0.01 116.42 124.72 2crp h ASP 116 Ca 0.57 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.97 2crp h ASP 116 Cb 1.83 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.75 2crp h ASP 116 CO 1.21 0.44 -0.32 -0.03 -2.88 0.00 0.00 179.24 177.66 2crp h MET 117 N 0.58 0.00 -1.04 0.28 4.05 -1.81 -3.19 114.93 113.79 2crp h MET 117 Ca 0.15 0.00 0.27 0.00 -0.28 0.00 0.00 59.70 59.83 2crp h MET 117 Cb 0.07 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.77 2crp h MET 117 CO -0.02 0.03 0.67 0.00 0.23 0.00 0.00 176.91 177.82 2crp h ALA 118 N -0.98 2.23 0.27 0.39 0.00 -1.88 0.47 119.26 119.76 2crp h ALA 118 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2crp h ALA 118 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2crp h ALA 118 CO -0.00 -0.64 -0.13 0.37 0.00 0.00 0.00 179.25 178.84 2crp h GLN 119 N 0.39 -0.35 -0.02 0.00 4.15 -1.15 -1.97 115.11 116.16 2crp h GLN 119 Ca 0.60 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.99 2crp h GLN 119 Cb 1.52 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.28 2crp h GLN 119 CO -0.30 -0.03 -0.22 1.57 -1.93 0.00 0.00 178.83 177.91 2crp h LYS 120 N -0.69 0.04 0.69 1.69 2.10 -1.17 -1.31 116.57 117.92 2crp h LYS 120 Ca -0.04 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 2crp h LYS 120 Cb 0.48 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.81 2crp h LYS 120 CO 0.06 0.26 -0.33 -0.09 -2.00 0.00 0.00 179.45 177.35 2crp h ARG 121 N 0.04 -0.90 -0.92 0.07 1.12 -0.05 -2.06 114.38 111.67 2crp h ARG 121 Ca 0.01 0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 2crp h ARG 121 Cb 0.42 0.20 -0.05 0.00 -0.01 0.00 0.00 29.97 30.54 2crp h ARG 121 CO 0.03 -0.57 0.59 0.82 -3.11 0.00 0.00 179.97 177.72 2crp h ILE 122 N -1.18 1.25 -0.89 1.20 1.08 -1.31 -2.18 117.51 115.48 2crp h ILE 122 Ca -0.10 -0.49 0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2crp h ILE 122 Cb 0.74 -0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 34.34 2crp h ILE 122 CO 0.16 0.25 0.58 -0.74 -0.69 0.00 0.00 178.15 177.70 2crp h HIS 123 N 1.26 1.00 0.00 1.37 2.76 -1.24 0.11 115.15 120.41 2crp h HIS 123 Ca 0.33 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2crp h HIS 123 Cb -0.10 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.53 2crp h HIS 123 CO -0.00 0.51 -0.02 0.00 -1.30 0.00 0.00 177.93 177.12 2crp h ALA 124 N 1.53 1.01 0.08 5.26 0.00 -0.72 -2.62 119.26 123.80 2crp h ALA 124 Ca 0.39 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.06 2crp h ALA 124 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2crp h ALA 124 CO -0.15 0.03 -1.14 1.25 0.00 0.00 0.00 179.25 179.24 2crp h LEU 125 N 0.00 0.26 -0.18 0.00 5.85 -0.65 -3.00 115.31 117.59 2crp h LEU 125 Ca -0.00 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2crp h LEU 125 Cb 0.51 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2crp h LEU 125 CO 0.00 1.49 0.00 0.23 -0.34 0.00 0.00 178.44 179.82 2crp n MET 126 N -4.13 0.04 -0.04 1.25 0.00 -0.31 0.17 117.12 114.09 2crp n MET 126 Ca -0.23 0.34 -0.01 0.00 0.00 0.00 0.00 57.70 57.79 2crp n MET 126 Cb 0.79 -1.58 -0.15 0.00 0.00 0.00 0.00 33.22 32.28 2crp n MET 126 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2crp n GLU 127 N -1.65 0.67 0.00 0.03 0.28 -0.99 0.49 120.64 119.46 2crp n GLU 127 Ca 0.02 -0.02 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2crp n GLU 127 Cb 0.14 -1.58 0.03 0.00 1.43 0.00 0.00 31.44 31.46 2crp n GLU 127 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2crp n LYS 128 N -2.62 0.81 0.01 3.44 -0.00 -0.84 -3.99 118.16 114.97 2crp n LYS 128 Ca -0.18 -0.91 -0.01 0.00 -0.00 0.00 0.00 58.31 57.21 2crp n LYS 128 Cb 0.89 -1.14 -0.00 0.00 -0.00 0.00 0.00 35.03 34.78 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2crp n ASP 129 N 0.29 0.52 -0.07 -5.58 2.03 0.44 -4.74 116.55 109.45 2crp n ASP 129 Ca 0.05 0.07 -0.11 0.00 0.52 0.00 0.00 54.79 55.32 2crp n ASP 129 Cb 0.22 -0.22 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2crp n ASP 129 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2crp h SER 130 N -0.07 -0.00 -0.99 1.67 4.64 -1.60 -3.11 113.55 114.09 2crp h SER 130 Ca 0.00 -0.76 0.18 0.00 -0.47 0.00 0.00 61.79 60.74 2crp h SER 130 Cb 0.07 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.99 2crp h SER 130 CO 0.00 0.88 -0.31 -0.11 -0.87 0.00 0.00 176.83 176.42 2crp n LEU 131 N -4.65 -0.49 0.25 5.97 7.94 0.18 0.23 117.00 126.43 2crp n LEU 131 Ca -0.08 1.71 0.14 0.00 -1.11 0.00 0.00 56.01 56.67 2crp n LEU 131 Cb 0.36 -0.46 0.61 0.00 0.53 0.00 0.00 43.42 44.47 2crp n LEU 131 CO 0.26 -1.59 0.92 1.55 -1.11 0.00 0.00 177.39 177.41 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.70 -2.52 132.00 129.87 2crp h PRO 132 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.54 2crp h PRO 132 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2crp h PRO 132 CO -1.00 0.11 -1.07 0.54 -0.23 0.00 0.00 178.00 176.36 2crp n ARG 133 N -3.29 0.21 0.06 0.86 1.74 0.50 -4.11 116.66 112.62 2crp n ARG 133 Ca -0.00 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.85 2crp n ARG 133 Cb 0.34 -1.55 -0.15 0.00 -1.02 0.00 0.00 32.46 30.09 2crp n ARG 133 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2crp h PHE 134 N 0.00 0.57 -0.72 -1.55 3.57 0.32 -3.27 116.94 115.86 2crp h PHE 134 Ca 0.00 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 2crp h PHE 134 Cb 0.66 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2crp h PHE 134 CO 0.00 1.57 0.32 -0.39 -2.23 0.00 0.00 178.31 177.58 2crp h VAL 135 N 0.09 1.24 -0.63 1.41 -1.51 -1.64 -2.69 116.25 112.52 2crp h VAL 135 Ca -0.32 -0.70 -0.07 0.00 -1.23 0.00 0.00 66.70 64.37 2crp h VAL 135 Cb 2.06 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 2crp h VAL 135 CO 0.16 0.29 0.11 0.03 -1.23 0.00 0.00 177.57 176.93 2crp h ARG 136 N 1.04 1.04 -6.82 5.19 3.08 -1.71 -3.36 114.38 112.83 2crp h ARG 136 Ca 0.25 -0.27 -0.53 0.00 0.07 0.00 0.00 59.98 59.49 2crp h ARG 136 Cb 0.15 -0.12 0.08 0.00 0.08 0.00 0.00 29.97 30.15 2crp h ARG 136 CO -0.03 0.96 0.82 -1.54 -1.07 0.00 0.00 179.97 179.11 2crp s SER 137 N -6.41 6.47 0.34 7.04 1.04 -1.01 -4.78 113.70 116.39 2crp s SER 137 Ca -0.12 2.87 0.17 0.00 0.48 0.00 0.00 55.95 59.35 2crp s SER 137 Cb 0.14 -2.64 1.18 0.00 0.10 0.00 0.00 66.02 64.80 2crp s SER 137 CO 0.84 -0.82 1.48 -0.62 0.98 0.00 0.00 173.24 175.09 2crp n GLU 138 N 1.80 -0.06 -0.24 4.02 -0.58 -1.26 -0.03 120.64 124.30 2crp n GLU 138 Ca 0.06 1.31 0.22 0.00 -0.42 0.00 0.00 57.16 58.33 2crp n GLU 138 Cb 0.39 -2.31 0.41 0.00 -0.57 0.00 0.00 31.44 29.36 2crp n GLU 138 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2crp n PHE 139 N -5.16 0.81 -0.04 -0.32 3.72 -1.26 0.62 117.46 115.84 2crp n PHE 139 Ca 0.34 0.86 -0.21 0.00 -0.05 0.00 0.00 57.45 58.39 2crp n PHE 139 Cb 1.13 -1.26 -0.13 0.00 -0.94 0.00 0.00 39.48 38.28 2crp n PHE 139 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2crp h TYR 140 N 0.00 0.27 -1.09 1.38 5.03 -0.57 -3.31 116.97 118.68 2crp h TYR 140 Ca 0.60 -0.20 0.30 0.00 2.58 0.00 0.00 58.73 62.01 2crp h TYR 140 Cb 1.56 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 39.75 2crp h TYR 140 CO -0.05 1.54 0.74 1.96 -1.32 0.00 0.00 178.16 181.03 2crp h GLN 141 N -0.52 0.23 0.00 1.82 1.08 0.23 0.91 115.11 118.86 2crp h GLN 141 Ca -0.32 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 56.74 2crp h GLN 141 Cb 1.60 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.97 2crp h GLN 141 CO -0.03 0.15 -0.59 1.05 -0.95 0.00 0.00 178.83 178.46 2crp h GLU 142 N 0.23 0.00 -0.24 1.46 4.11 -0.88 0.51 114.58 119.77 2crp h GLU 142 Ca 0.59 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.91 2crp h GLU 142 Cb 1.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 2crp h GLU 142 CO -0.20 0.59 -0.31 -0.07 0.07 0.00 0.00 179.01 179.09 2crp h LEU 143 N 0.00 0.52 0.01 3.06 3.38 0.77 0.34 115.31 123.38 2crp h LEU 143 Ca -0.01 -0.20 -0.39 0.00 0.09 0.00 0.00 57.88 57.38 2crp h LEU 143 Cb 1.30 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2crp h LEU 143 CO 0.08 0.80 -2.44 2.30 0.09 0.00 0.00 178.44 179.27 2crp n ILE 144 N -4.08 1.51 0.10 1.22 -5.35 -0.92 -4.41 119.36 107.43 2crp n ILE 144 Ca -0.01 -0.57 -0.01 0.00 -0.27 0.00 0.00 62.75 61.89 2crp n ILE 144 Cb 0.45 -1.47 0.24 0.00 -1.74 0.00 0.00 39.64 37.13 2crp n ILE 144 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2crp h SER 145 N -0.04 0.25 -1.28 7.28 0.87 -0.06 -3.43 113.55 117.14 2crp h SER 145 Ca -0.57 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 59.80 2crp h SER 145 Cb 1.90 -0.07 0.06 0.00 -0.44 0.00 0.00 62.40 63.84 2crp h SER 145 CO -0.09 0.61 -0.05 0.61 -0.53 0.00 0.00 176.83 177.38 2crp n GLY 146 N -0.27 -2.52 3.56 5.77 0.00 0.11 -4.72 105.19 107.12 2crp n GLY 146 Ca -0.01 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 2crp n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 147 N -2.76 2.55 -0.29 1.61 0.04 -1.26 -4.84 135.00 130.04 2crp s PRO 147 Ca 0.17 -0.36 -0.24 0.00 0.04 0.00 0.00 61.00 60.61 2crp s PRO 147 Cb -0.03 -5.08 0.17 0.00 0.04 0.00 0.00 34.50 29.60 2crp s PRO 147 CO 0.14 -3.43 1.28 -1.54 0.04 0.00 0.00 177.00 173.49 2crp s SER 148 N 7.91 -0.20 -0.09 6.66 1.04 -1.26 -5.04 113.70 122.72 2crp s SER 148 Ca 0.70 0.39 -0.30 0.00 0.48 0.00 0.00 55.95 57.22 2crp s SER 148 Cb -0.06 0.46 0.11 0.00 0.10 0.00 0.00 66.02 66.62 2crp s SER 148 CO 0.00 -0.07 0.88 -0.94 0.98 0.00 0.00 173.24 174.10 2crp s SER 149 N 0.21 -0.45 0.00 7.02 1.04 -1.26 -4.60 113.70 115.66 2crp s SER 149 Ca 0.04 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2crp s SER 149 Cb -0.05 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2crp s SER 149 CO -0.12 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.21