#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 4.11 -1.18 1.61 1.04 -1.26 -4.81 113.70 113.22 2crp s SER 2 Ca 0.00 -3.34 -0.05 0.00 0.48 0.00 0.00 55.95 53.04 2crp s SER 2 Cb 0.00 -1.40 0.01 0.00 0.10 0.00 0.00 66.02 64.73 2crp s SER 2 CO 0.00 -0.16 1.01 -1.20 0.98 0.00 0.00 173.24 173.87 2crp n SER 3 N 2.63 -4.67 -4.89 7.02 7.64 -1.26 -4.99 113.62 115.10 2crp n SER 3 Ca 0.15 -0.51 -0.29 0.00 1.01 0.00 0.00 58.87 59.23 2crp n SER 3 Cb 0.36 -4.61 0.02 0.00 -1.01 0.00 0.00 64.21 58.96 2crp n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crp s GLY 4 N -3.60 1.60 0.33 0.23 0.00 -1.26 -5.09 107.32 99.52 2crp s GLY 4 Ca 0.36 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.59 2crp s GLY 4 CO 0.66 -0.10 0.65 -0.56 0.00 0.00 0.00 173.10 173.75 2crp s SER 5 N -4.21 0.13 -1.40 1.64 0.01 -1.26 -4.94 113.70 103.67 2crp s SER 5 Ca 0.53 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.61 2crp s SER 5 Cb -0.11 0.74 0.11 0.00 0.21 0.00 0.00 66.02 66.97 2crp s SER 5 CO 0.49 -1.43 0.27 -1.54 0.41 0.00 0.00 173.24 171.44 2crp n SER 6 N -1.02 -0.47 0.13 2.44 3.41 -1.26 -4.82 113.62 112.03 2crp n SER 6 Ca -0.04 -1.02 -0.06 0.00 -0.26 0.00 0.00 58.87 57.49 2crp n SER 6 Cb 0.60 -1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 2crp n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2crp h GLY 7 N -0.95 -0.42 -0.87 5.00 0.00 -2.04 -3.46 103.07 100.33 2crp h GLY 7 Ca -0.51 0.15 -0.45 0.00 0.00 0.00 0.00 47.33 46.53 2crp h GLY 7 CO 0.66 -0.15 0.18 2.56 0.00 0.00 0.00 176.54 179.78 2crp s PRO 8 N -2.85 0.11 0.12 4.80 0.04 -1.26 -5.09 135.00 130.87 2crp s PRO 8 Ca -0.06 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 61.38 2crp s PRO 8 Cb 0.01 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2crp s PRO 8 CO 0.17 -2.92 0.03 -2.00 0.04 0.00 0.00 177.00 172.33 2crp s GLU 9 N -5.02 0.89 -0.08 4.56 -6.30 -1.26 -5.14 118.70 106.35 2crp s GLU 9 Ca 0.66 -1.41 -0.22 0.00 -2.50 0.00 0.00 54.97 51.50 2crp s GLU 9 Cb -0.18 0.18 -0.04 0.00 0.00 0.00 0.00 34.13 34.09 2crp s GLU 9 CO 0.57 -0.22 0.63 0.15 0.02 0.00 0.00 175.26 176.41 2crp s LYS 10 N -4.01 4.40 0.00 4.30 -0.14 -1.26 -5.07 119.74 117.96 2crp s LYS 10 Ca 0.21 0.74 0.00 0.00 -1.36 0.00 0.00 55.97 55.56 2crp s LYS 10 Cb 0.07 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.78 2crp s LYS 10 CO 0.00 0.11 0.00 -0.35 -0.76 0.00 0.00 175.35 174.35 2crp n PRO 11 N 3.70 -0.09 -4.12 -1.68 -0.04 -1.26 -5.11 135.00 126.40 2crp n PRO 11 Ca -0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 2crp n PRO 11 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 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 -2.98 1.00 0.27 0.55 0.00 -1.26 -5.19 121.76 114.15 2crp s ALA 12 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.34 2crp s ALA 12 Cb 0.00 1.20 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 2crp s ALA 12 CO 0.00 -0.77 0.17 -1.59 0.00 0.00 0.00 175.76 173.57 2crp s LYS 13 N -3.01 1.47 0.05 0.00 -2.85 -1.26 -5.18 119.74 108.96 2crp s LYS 13 Ca 0.32 -1.82 -0.28 0.00 -1.00 0.00 0.00 55.97 53.20 2crp s LYS 13 Cb -0.00 0.15 0.10 0.00 -2.06 0.00 0.00 37.83 36.01 2crp s LYS 13 CO 0.23 -0.47 1.19 -0.08 0.10 0.00 0.00 175.35 176.32 2crp s THR 14 N -3.79 0.00 0.83 3.79 -1.32 -1.26 -5.16 115.64 108.73 2crp s THR 14 Ca 0.38 -0.34 -0.14 0.00 -1.21 0.00 0.00 61.69 60.38 2crp s THR 14 Cb 0.05 -2.37 0.02 0.00 -1.51 0.00 0.00 72.50 68.69 2crp s THR 14 CO 0.18 0.00 0.64 1.67 -2.21 0.00 0.00 174.62 174.89 2crp n GLN 15 N -0.62 0.04 0.00 7.08 -0.06 -1.26 -5.00 117.38 117.56 2crp n GLN 15 Ca -0.04 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2crp n GLN 15 Cb 0.61 -1.98 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 2crp n GLN 15 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2crp n LYS 16 N -1.70 0.00 -3.65 3.69 5.02 -1.26 -5.05 118.16 115.22 2crp n LYS 16 Ca 0.10 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 2crp n LYS 16 Cb 0.51 -0.35 -0.08 0.00 -0.02 0.00 0.00 35.03 35.10 2crp n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2crp s THR 17 N -0.48 0.01 0.09 -0.18 2.01 -1.26 -4.67 115.64 111.15 2crp s THR 17 Ca 0.00 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.97 2crp s THR 17 Cb 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2crp s THR 17 CO 0.00 -0.04 0.05 -0.44 -0.69 0.00 0.00 174.62 173.50 2crp s SER 18 N -0.29 5.32 0.12 3.53 0.01 -1.26 -4.97 113.70 116.16 2crp s SER 18 Ca -0.05 -0.09 -0.33 0.00 1.31 0.00 0.00 55.95 56.79 2crp s SER 18 Cb -0.03 -1.36 -0.12 0.00 0.21 0.00 0.00 66.02 64.71 2crp s SER 18 CO 0.04 0.17 1.55 0.25 0.41 0.00 0.00 173.24 175.65 2crp h LEU 19 N 3.29 -1.79 -0.76 2.44 7.12 -1.76 0.80 115.31 124.66 2crp h LEU 19 Ca -0.47 0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.76 2crp h LEU 19 Cb 1.17 0.71 0.00 0.00 -0.53 0.00 0.00 40.66 42.01 2crp h LEU 19 CO 0.63 -0.45 0.14 0.47 -0.13 0.00 0.00 178.44 179.10 2crp n ASP 20 N -5.39 0.29 -0.07 1.25 8.00 -1.26 -2.17 116.55 117.20 2crp n ASP 20 Ca -0.05 0.57 -0.04 0.00 0.71 0.00 0.00 54.79 55.98 2crp n ASP 20 Cb 0.36 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 2crp n ASP 20 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2crp h GLU 21 N 0.00 0.00 -1.60 -1.24 4.81 0.12 -3.30 114.58 113.36 2crp h GLU 21 Ca 0.00 0.00 0.51 0.00 -0.13 0.00 0.00 59.36 59.74 2crp h GLU 21 Cb 0.28 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.54 2crp h GLU 21 CO 0.00 0.03 1.09 0.00 -0.73 0.00 0.00 179.01 179.40 2crp h ALA 22 N -0.98 3.23 -0.21 2.92 0.00 -0.48 1.75 119.26 125.48 2crp h ALA 22 Ca -0.01 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2crp h ALA 22 Cb 0.41 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2crp h ALA 22 CO -0.00 -1.87 -0.61 -0.07 0.00 0.00 0.00 179.25 176.70 2crp h LEU 23 N 0.01 0.80 -2.10 0.00 3.38 -1.69 -2.98 115.31 112.73 2crp h LEU 23 Ca 0.90 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 58.47 2crp h LEU 23 Cb 3.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 43.68 2crp h LEU 23 CO -0.28 1.23 0.33 1.56 0.09 0.00 0.00 178.44 181.36 2crp h GLN 24 N 0.53 0.00 0.00 1.13 4.20 0.26 0.42 115.11 121.65 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 1.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2crp h GLN 24 CO 0.12 0.00 -0.21 -1.49 -0.67 0.00 0.00 178.83 176.58 2crp h TRP 25 N 0.00 0.00 -0.22 2.96 6.55 -1.42 -3.10 115.95 120.72 2crp h TRP 25 Ca 0.10 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.81 2crp h TRP 25 Cb 0.75 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.05 2crp h TRP 25 CO 0.00 0.21 -0.36 0.00 -1.05 0.00 0.00 178.44 177.24 2crp h ARG 26 N 0.00 0.63 0.44 0.49 3.08 -0.29 -3.30 114.38 115.42 2crp h ARG 26 Ca -0.00 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 2crp h ARG 26 Cb 0.75 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2crp h ARG 26 CO 0.03 1.00 -0.24 -0.44 -1.07 0.00 0.00 179.97 179.25 2crp h ASP 27 N 0.32 -0.57 -3.85 7.04 3.32 -1.58 -3.44 116.42 117.66 2crp h ASP 27 Ca 0.02 0.03 -0.36 0.00 0.02 0.00 0.00 57.03 56.73 2crp h ASP 27 Cb 0.95 0.16 -0.30 0.00 0.22 0.00 0.00 39.33 40.36 2crp h ASP 27 CO 0.08 -0.39 -0.76 -0.44 -1.72 0.00 0.00 179.24 176.01 2crp s SER 28 N -4.65 0.79 0.20 6.45 0.01 -1.20 -5.04 113.70 110.27 2crp s SER 28 Ca -0.16 -0.12 -0.11 0.00 1.31 0.00 0.00 55.95 56.87 2crp s SER 28 Cb 0.05 -0.15 0.13 0.00 0.21 0.00 0.00 66.02 66.25 2crp s SER 28 CO 0.63 0.05 1.82 0.25 0.41 0.00 0.00 173.24 176.41 2crp h LEU 29 N 6.23 0.87 -0.68 2.44 5.85 -1.86 -3.15 115.31 125.01 2crp h LEU 29 Ca -0.31 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.39 2crp h LEU 29 Cb 1.18 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 2crp h LEU 29 CO 0.50 0.70 -0.40 0.47 -0.34 0.00 0.00 178.44 179.37 2crp n ASP 30 N -4.51 -0.72 -0.30 1.25 9.92 -1.26 0.46 116.55 121.40 2crp n ASP 30 Ca 0.06 1.49 0.19 0.00 -0.53 0.00 0.00 54.79 55.99 2crp n ASP 30 Cb 0.08 -0.30 0.35 0.00 -0.64 0.00 0.00 41.12 40.62 2crp n ASP 30 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2crp n LYS 31 N -4.55 -0.06 0.34 -1.24 4.76 -1.19 -0.20 118.16 116.02 2crp n LYS 31 Ca 0.01 1.29 -0.14 0.00 -2.87 0.00 0.00 58.31 56.61 2crp n LYS 31 Cb 0.18 -2.14 -0.06 0.00 -1.84 0.00 0.00 35.03 31.16 2crp n LYS 31 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2crp h LEU 32 N 0.00 -0.75 -0.80 -0.35 5.85 -0.12 -1.80 115.31 117.34 2crp h LEU 32 Ca 0.62 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.53 2crp h LEU 32 Cb 1.43 0.19 -0.11 0.00 0.37 0.00 0.00 40.66 42.54 2crp h LEU 32 CO -0.78 -0.49 0.31 -0.07 -0.34 0.00 0.00 178.44 177.07 2crp h LEU 33 N -0.97 0.25 -0.58 2.25 3.38 -0.28 0.04 115.31 119.39 2crp h LEU 33 Ca -0.09 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2crp h LEU 33 Cb 0.68 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 2crp h LEU 33 CO 0.15 0.05 0.31 1.56 0.09 0.00 0.00 178.44 180.59 2crp h GLN 34 N 0.40 0.56 -6.21 1.13 4.20 -0.53 -3.40 115.11 111.26 2crp h GLN 34 Ca 0.46 -0.03 -0.56 0.00 0.06 0.00 0.00 58.65 58.57 2crp h GLN 34 Cb 0.78 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 2crp h GLN 34 CO -0.47 0.37 0.97 -0.80 -0.67 0.00 0.00 178.83 178.23 2crp s ASN 35 N -5.54 6.80 0.17 1.46 0.01 -0.01 -4.92 114.94 112.91 2crp s ASN 35 Ca -0.13 1.68 -0.18 0.00 -0.71 0.00 0.00 52.86 53.53 2crp s ASN 35 Cb 0.15 -2.54 0.10 0.00 0.41 0.00 0.00 41.25 39.37 2crp s ASN 35 CO 0.75 -0.89 1.65 -1.13 -1.51 0.00 0.00 177.10 175.97 2crp h ASN 36 N 8.84 -0.50 0.50 -1.22 -1.24 -1.80 0.22 115.58 120.38 2crp h ASN 36 Ca -0.29 0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.84 2crp h ASN 36 Cb 1.12 0.29 -0.02 0.00 0.73 0.00 0.00 38.32 40.45 2crp h ASN 36 CO 0.98 -0.18 -0.40 0.22 -1.29 0.00 0.00 177.43 176.77 2crp h TYR 37 N -0.06 -1.08 -0.64 0.67 3.20 -1.90 -0.78 116.97 116.38 2crp h TYR 37 Ca 0.19 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.16 2crp h TYR 37 Cb 0.35 0.41 -0.07 0.00 1.54 0.00 0.00 36.73 38.96 2crp h TYR 37 CO -0.39 -0.57 0.27 0.78 -1.64 0.00 0.00 178.16 176.61 2crp h GLY 38 N -0.89 0.93 0.53 1.82 0.00 -1.68 -2.11 103.07 101.66 2crp h GLY 38 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2crp h GLY 38 CO -0.01 0.01 -0.32 -2.00 0.00 0.00 0.00 176.54 174.22 2crp h LEU 39 N 0.48 -0.81 -0.88 3.11 5.85 -0.34 0.34 115.31 123.06 2crp h LEU 39 Ca 0.32 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.26 2crp h LEU 39 Cb 0.37 0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.47 2crp h LEU 39 CO -0.29 -0.49 -0.25 0.00 -0.34 0.00 0.00 178.44 177.07 2crp h ALA 40 N -1.44 0.51 -0.33 1.25 0.00 -1.00 0.25 119.26 118.50 2crp h ALA 40 Ca -0.07 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2crp h ALA 40 Cb 0.63 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2crp h ALA 40 CO 0.07 -0.43 0.07 0.66 0.00 0.00 0.00 179.25 179.62 2crp h SER 41 N -0.01 0.51 -0.66 0.00 4.64 -1.24 -2.95 113.55 113.83 2crp h SER 41 Ca 0.41 -0.24 0.11 0.00 -0.47 0.00 0.00 61.79 61.60 2crp h SER 41 Cb 0.64 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.51 2crp h SER 41 CO -0.91 0.61 0.24 0.15 -0.87 0.00 0.00 176.83 176.06 2crp h PHE 42 N 0.38 0.41 0.46 4.77 3.57 0.29 -2.32 116.94 124.51 2crp h PHE 42 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2crp h PHE 42 Cb 0.31 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2crp h PHE 42 CO 0.02 0.07 -0.37 0.87 -2.23 0.00 0.00 178.31 176.67 2crp h LYS 43 N 0.41 -0.77 -0.94 1.11 1.57 -0.83 -2.65 116.57 114.47 2crp h LYS 43 Ca 0.35 0.05 0.25 0.00 -1.87 0.00 0.00 60.65 59.43 2crp h LYS 43 Cb 0.47 0.17 -0.17 0.00 0.08 0.00 0.00 32.23 32.79 2crp h LYS 43 CO -0.35 -0.51 0.07 1.03 -0.57 0.00 0.00 179.45 179.11 2crp h SER 44 N -0.80 -0.37 -0.95 0.86 0.87 -1.33 1.03 113.55 112.86 2crp h SER 44 Ca -0.06 0.25 0.16 0.00 -1.23 0.00 0.00 61.79 60.92 2crp h SER 44 Cb 0.67 0.43 -0.08 0.00 -0.44 0.00 0.00 62.40 62.97 2crp h SER 44 CO 0.00 -0.30 0.60 0.15 -0.53 0.00 0.00 176.83 176.76 2crp h PHE 45 N 0.05 0.91 0.03 2.24 3.57 -1.08 -2.00 116.94 120.66 2crp h PHE 45 Ca 0.57 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.10 2crp h PHE 45 Cb 1.16 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2crp h PHE 45 CO -0.44 0.29 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.85 2crp h LEU 46 N 0.73 -0.03 -0.96 0.59 4.07 0.13 -3.12 115.31 116.72 2crp h LEU 46 Ca 0.50 -0.51 0.28 0.00 0.08 0.00 0.00 57.88 58.23 2crp h LEU 46 Cb 0.80 0.01 -0.17 0.00 1.08 0.00 0.00 40.66 42.37 2crp h LEU 46 CO -0.26 0.50 0.11 0.11 -1.08 0.00 0.00 178.44 177.83 2crp h LYS 47 N -0.57 0.04 -0.74 1.13 1.57 -0.60 1.31 116.57 118.70 2crp h LYS 47 Ca -0.00 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2crp h LYS 47 Cb 0.54 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2crp h LYS 47 CO 0.01 0.03 0.21 0.77 -0.57 0.00 0.00 179.45 179.90 2crp h SER 48 N 0.04 1.09 1.13 0.86 0.02 -1.51 -2.18 113.55 113.00 2crp h SER 48 Ca 0.61 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2crp h SER 48 Cb 1.30 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2crp h SER 48 CO -0.86 1.02 -0.10 -0.62 -1.14 0.00 0.00 176.83 175.13 2crp n GLU 49 N -4.24 0.13 -2.24 3.45 -0.58 0.32 -4.92 120.64 112.56 2crp n GLU 49 Ca 0.06 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.79 2crp n GLU 49 Cb 0.24 -1.64 -0.00 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.86 -0.54 -1.65 -0.32 3.72 0.37 -4.92 117.46 112.26 2crp n PHE 50 Ca 0.06 0.02 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 2crp n PHE 50 Cb 0.38 -2.50 0.17 0.00 -0.94 0.00 0.00 39.48 36.59 2crp n PHE 50 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2crp n SER 51 N -0.02 1.67 0.29 4.37 7.64 -1.02 -4.73 113.62 121.81 2crp n SER 51 Ca -0.12 -3.52 0.18 0.00 1.01 0.00 0.00 58.87 56.43 2crp n SER 51 Cb 0.59 -0.48 0.84 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.84 0.00 -0.33 1.43 4.81 -1.91 -2.62 114.58 116.81 2crp h GLU 52 Ca -0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2crp h GLU 52 Cb 1.12 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2crp h GLU 52 CO 0.01 0.03 0.22 1.05 -0.73 0.00 0.00 179.01 179.59 2crp h GLU 53 N 0.00 0.40 -0.61 1.92 4.11 -1.86 -0.27 114.58 118.27 2crp h GLU 53 Ca -0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.45 2crp h GLU 53 Cb 0.35 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2crp h GLU 53 CO 0.00 0.26 0.34 -0.91 0.07 0.00 0.00 179.01 178.78 2crp h ASN 54 N 0.41 0.51 0.03 3.06 4.21 -1.76 -2.44 115.58 119.60 2crp h ASN 54 Ca 0.13 0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.60 2crp h ASN 54 Cb 0.00 -0.08 0.01 0.00 -1.12 0.00 0.00 38.32 37.13 2crp h ASN 54 CO -0.03 0.35 -0.24 0.25 -1.29 0.00 0.00 177.43 176.47 2crp h LEU 55 N 0.65 0.15 -0.97 1.61 6.46 -1.58 -3.33 115.31 118.29 2crp h LEU 55 Ca 0.26 -0.92 0.13 0.00 -0.12 0.00 0.00 57.88 57.23 2crp h LEU 55 Cb 0.13 -0.05 -0.14 0.00 -0.73 0.00 0.00 40.66 39.86 2crp h LEU 55 CO -0.15 1.06 -0.46 -0.33 -0.62 0.00 0.00 178.44 177.94 2crp h GLU 56 N -0.73 -0.01 -0.96 1.25 4.39 -0.97 1.27 114.58 118.81 2crp h GLU 56 Ca -0.04 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.90 2crp h GLU 56 Cb 1.12 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.71 2crp h GLU 56 CO 0.04 -0.01 0.64 0.35 -1.16 0.00 0.00 179.01 178.88 2crp h PHE 57 N -0.01 0.48 0.44 4.33 3.57 -1.58 -0.28 116.94 123.89 2crp h PHE 57 Ca 0.28 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2crp h PHE 57 Cb 0.53 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2crp h PHE 57 CO -0.92 0.09 -0.21 2.35 -2.23 0.00 0.00 178.31 177.40 2crp h TRP 58 N 0.33 -0.55 -0.61 0.41 7.01 0.14 -1.97 115.95 120.72 2crp h TRP 58 Ca 0.51 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.62 2crp h TRP 58 Cb 1.40 0.18 -0.10 0.00 -2.10 0.00 0.00 29.16 28.55 2crp h TRP 58 CO -0.00 -0.28 0.07 0.82 -2.79 0.00 0.00 178.44 176.26 2crp h ILE 59 N -1.10 0.56 -0.71 2.65 2.04 -0.49 -0.50 117.51 119.96 2crp h ILE 59 Ca -0.06 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2crp h ILE 59 Cb 0.51 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2crp h ILE 59 CO 0.10 0.03 0.44 0.00 0.00 0.00 0.00 178.15 178.73 2crp h ALA 60 N 1.53 0.90 -0.13 1.87 0.00 -1.15 -1.38 119.26 120.89 2crp h ALA 60 Ca 0.32 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2crp h ALA 60 Cb 0.51 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2crp h ALA 60 CO -0.47 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.01 2crp h GLU 62 N -0.16 0.53 -0.14 0.00 4.39 -1.15 -2.39 114.58 115.67 2crp h GLU 62 Ca 0.09 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2crp h GLU 62 Cb 0.29 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2crp h GLU 62 CO -0.23 0.55 -0.55 0.22 -1.16 0.00 0.00 179.01 177.84 2crp h ASP 63 N 0.51 0.46 0.17 1.42 1.82 -0.31 -3.02 116.42 117.47 2crp h ASP 63 Ca 0.11 -0.25 -0.09 0.00 -0.39 0.00 0.00 57.03 56.42 2crp h ASP 63 Cb 0.31 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 2crp h ASP 63 CO 0.01 0.92 -0.32 0.22 -1.61 0.00 0.00 179.24 178.46 2crp h TYR 64 N 0.32 0.25 0.00 0.28 5.03 0.18 -2.43 116.97 120.61 2crp h TYR 64 Ca 0.01 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.23 2crp h TYR 64 Cb 1.06 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.28 2crp h TYR 64 CO 0.03 0.52 -0.15 0.87 -1.32 0.00 0.00 178.16 178.12 2crp h LYS 65 N 0.20 0.00 0.00 1.82 1.57 -1.33 -1.61 116.57 117.22 2crp h LYS 65 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2crp h LYS 65 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2crp h LYS 65 CO 0.05 0.15 0.00 1.63 -0.57 0.00 0.00 179.45 180.71 2crp n LYS 66 N -3.66 0.66 -3.27 3.15 5.02 -0.91 -4.74 118.16 114.41 2crp n LYS 66 Ca -0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 2crp n LYS 66 Cb 0.27 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 2crp n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2crp s ILE 67 N -2.00 4.81 -0.01 -0.18 1.01 -0.61 -4.96 121.20 119.27 2crp s ILE 67 Ca 0.30 1.20 0.02 0.00 0.00 0.00 0.00 60.65 62.16 2crp s ILE 67 Cb 0.14 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2crp s ILE 67 CO 0.23 0.51 0.02 2.29 0.00 0.00 0.00 174.94 177.99 2crp n LYS 68 N 2.07 1.74 -1.72 2.79 0.00 -1.26 -4.88 118.16 116.90 2crp n LYS 68 Ca -0.09 -0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 57.78 2crp n LYS 68 Cb 0.51 -1.04 -0.01 0.00 -0.00 0.00 0.00 35.03 34.49 2crp n LYS 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2crp n SER 69 N -1.78 3.02 0.23 -5.58 7.64 -1.26 -4.89 113.62 111.00 2crp n SER 69 Ca -0.01 1.21 0.11 0.00 1.01 0.00 0.00 58.87 61.18 2crp n SER 69 Cb 0.27 -1.52 0.53 0.00 -1.01 0.00 0.00 64.21 62.49 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 2.72 0.00 0.00 1.43 0.13 -1.99 -2.07 132.00 132.22 2crp h PRO 70 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2crp h PRO 70 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2crp h PRO 70 CO 0.63 0.20 -0.68 0.00 -0.23 0.00 0.00 178.00 177.93 2crp h ALA 71 N 1.80 0.11 -0.07 -0.56 0.00 -2.00 -3.35 119.26 115.19 2crp h ALA 71 Ca -0.00 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.22 2crp h ALA 71 Cb 0.64 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2crp h ALA 71 CO 0.03 0.46 -0.14 -0.22 0.00 0.00 0.00 179.25 179.38 2crp h LYS 72 N -1.00 -0.19 -1.25 0.00 1.63 -1.96 0.40 116.57 114.20 2crp h LYS 72 Ca -0.14 0.01 0.36 0.00 -0.85 0.00 0.00 60.65 60.04 2crp h LYS 72 Cb 0.82 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.43 2crp h LYS 72 CO -0.08 -0.13 0.88 0.52 -3.45 0.00 0.00 179.45 177.19 2crp h MET 73 N -0.20 0.06 0.00 1.90 2.86 -1.58 0.51 114.93 118.48 2crp h MET 73 Ca 0.07 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2crp h MET 73 Cb 0.30 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2crp h MET 73 CO -0.19 0.04 -0.38 0.00 1.06 0.00 0.00 176.91 177.44 2crp n ALA 74 N -2.73 0.33 0.13 6.32 0.00 -0.36 -3.84 120.51 120.36 2crp n ALA 74 Ca 0.28 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 2crp n ALA 74 Cb 1.28 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 20.66 2crp n ALA 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2crp h GLU 75 N -0.73 -0.71 -0.88 0.00 5.08 0.06 -1.79 114.58 115.61 2crp h GLU 75 Ca 0.00 0.05 0.24 0.00 -1.00 0.00 0.00 59.36 58.65 2crp h GLU 75 Cb 0.38 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.64 2crp h GLU 75 CO 0.00 -0.47 0.19 -0.22 -1.00 0.00 0.00 179.01 177.51 2crp h LYS 76 N -0.73 0.16 -0.40 2.33 1.63 -0.18 0.14 116.57 119.53 2crp h LYS 76 Ca 0.00 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.87 2crp h LYS 76 Cb 0.74 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.25 2crp h LYS 76 CO -0.25 0.10 -0.13 0.00 -3.45 0.00 0.00 179.45 175.72 2crp h ALA 77 N 1.81 0.21 -1.00 5.00 0.00 -1.43 -0.77 119.26 123.08 2crp h ALA 77 Ca 0.55 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.67 2crp h ALA 77 Cb 1.12 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 2crp h ALA 77 CO -0.70 -0.49 0.65 1.57 0.00 0.00 0.00 179.25 180.28 2crp h LYS 78 N -0.05 1.17 -0.04 0.00 2.10 -0.49 -2.69 116.57 116.58 2crp h LYS 78 Ca 0.19 -0.07 0.04 0.00 -2.00 0.00 0.00 60.65 58.81 2crp h LYS 78 Cb 0.34 -0.26 -0.06 0.00 -0.90 0.00 0.00 32.23 31.35 2crp h LYS 78 CO -0.43 0.77 -0.35 1.96 -2.00 0.00 0.00 179.45 179.40 2crp h GLN 79 N 1.20 -0.46 -0.37 0.07 4.20 -0.61 0.34 115.11 119.48 2crp h GLN 79 Ca 0.42 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.26 2crp h GLN 79 Cb 0.10 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2crp h GLN 79 CO -0.15 -0.31 0.26 0.82 -0.67 0.00 0.00 178.83 178.78 2crp h ILE 80 N -0.48 0.82 -0.00 2.54 2.04 -1.16 -1.82 117.51 119.45 2crp h ILE 80 Ca 0.07 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 2crp h ILE 80 Cb 0.58 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2crp h ILE 80 CO -0.30 0.00 -0.34 0.22 0.00 0.00 0.00 178.15 177.73 2crp h TYR 81 N 0.01 0.35 0.00 1.37 5.03 -0.74 0.29 116.97 123.28 2crp h TYR 81 Ca 0.17 -0.19 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2crp h TYR 81 Cb 0.68 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.92 2crp h TYR 81 CO -0.00 0.99 0.00 0.39 -1.32 0.00 0.00 178.16 178.22 2crp n GLU 82 N -4.43 0.05 -0.09 1.82 1.02 0.10 0.21 120.64 119.31 2crp n GLU 82 Ca -0.10 0.30 -0.17 0.00 -0.02 0.00 0.00 57.16 57.17 2crp n GLU 82 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.42 0.43 -0.12 3.49 2.13 -0.76 -4.55 120.64 119.84 2crp n GLU 83 Ca 0.03 0.18 -0.22 0.00 0.66 0.00 0.00 57.16 57.81 2crp n GLU 83 Cb 0.08 -1.23 -0.07 0.00 0.27 0.00 0.00 31.44 30.49 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 -4.03 0.00 0.95 4.31 3.72 0.08 -3.59 117.46 118.90 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 0.66 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 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 -4.32 0.65 -4.09 4.37 2.08 0.54 -4.01 119.36 114.59 2crp n ILE 85 Ca -0.38 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 62.66 2crp n ILE 85 Cb 0.74 -0.82 -0.06 0.00 -0.75 0.00 0.00 39.64 38.75 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 -0.28 2.85 0.19 0.38 0.74 0.55 -4.63 119.66 119.46 2crp s GLN 86 Ca 0.00 -0.86 -0.31 0.00 0.05 0.00 0.00 55.36 54.24 2crp s GLN 86 Cb 0.00 -2.63 -0.11 0.00 1.10 0.00 0.00 33.01 31.37 2crp s GLN 86 CO 0.00 0.50 1.62 0.99 -0.55 0.00 0.00 175.29 177.84 2crp s THR 87 N -1.68 2.38 -0.57 -0.34 2.01 -1.26 -2.06 115.64 114.11 2crp s THR 87 Ca 0.30 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2crp s THR 87 Cb -0.10 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2crp s THR 87 CO 0.23 0.02 0.00 -1.84 -0.69 0.00 0.00 174.62 172.34 2crp n GLU 88 N 3.74 -2.22 -0.78 4.92 0.28 -1.26 -4.86 120.64 120.47 2crp n GLU 88 Ca 0.14 0.32 -0.33 0.00 -0.16 0.00 0.00 57.16 57.13 2crp n GLU 88 Cb 0.37 -4.76 0.13 0.00 1.43 0.00 0.00 31.44 28.61 2crp n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2crp n ALA 89 N -1.82 -3.05 0.17 -1.84 0.00 -0.88 -4.89 120.51 108.21 2crp n ALA 89 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 53.44 52.63 2crp n ALA 89 Cb 0.47 -1.71 0.31 0.00 0.00 0.00 0.00 19.45 18.51 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 0.00 0.00 0.00 0.13 -1.89 -3.18 132.00 125.40 2crp h PRO 90 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2crp h PRO 90 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2crp h PRO 90 CO 0.35 0.45 -0.12 1.63 -0.23 0.00 0.00 178.00 180.07 2crp n LYS 91 N -3.89 0.99 -1.51 0.86 5.02 -1.24 -5.02 118.16 113.38 2crp n LYS 91 Ca -0.01 -2.24 -0.24 0.00 -2.02 0.00 0.00 58.31 53.80 2crp n LYS 91 Cb 0.49 -1.27 -0.20 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.11 0.06 -0.56 1.97 2.13 -1.21 -4.69 120.64 117.23 2crp n GLU 92 Ca 0.12 -0.07 -0.24 0.00 0.66 0.00 0.00 57.16 57.64 2crp n GLU 92 Cb 0.66 -1.31 0.16 0.00 0.27 0.00 0.00 31.44 31.21 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 6.05 0.00 -3.02 6.31 0.24 -1.26 -4.87 118.33 121.78 2crp n VAL 93 Ca 0.66 -0.12 -0.44 0.00 -2.04 0.00 0.00 64.34 62.40 2crp n VAL 93 Cb 0.16 -0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 2crp n VAL 93 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2crp s ASN 94 N -1.98 6.18 -0.20 -1.34 0.01 -1.26 -4.98 114.94 111.38 2crp s ASN 94 Ca 0.44 -1.25 -0.04 0.00 -0.71 0.00 0.00 52.86 51.30 2crp s ASN 94 Cb -0.08 -2.35 0.10 0.00 0.41 0.00 0.00 41.25 39.34 2crp s ASN 94 CO 0.46 -1.23 0.32 0.27 -1.51 0.00 0.00 177.10 175.40 2crp s ILE 95 N 3.20 -0.49 0.99 0.60 -4.36 -1.26 -4.73 121.20 115.14 2crp s ILE 95 Ca 0.16 0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.44 2crp s ILE 95 Cb -0.21 -0.67 0.05 0.00 1.25 0.00 0.00 42.46 42.88 2crp s ILE 95 CO 0.08 -0.06 0.34 -0.67 0.24 0.00 0.00 174.94 174.87 2crp n ASP 96 N 5.35 -2.11 -0.31 4.36 2.03 -1.26 -4.36 116.55 120.24 2crp n ASP 96 Ca -0.05 0.23 0.18 0.00 0.52 0.00 0.00 54.79 55.67 2crp n ASP 96 Cb 0.50 -1.16 0.44 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.68 0.78 0.00 -0.67 3.86 -2.01 -0.49 115.15 114.94 2crp h HIS 97 Ca -0.46 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2crp h HIS 97 Cb 1.30 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2crp h HIS 97 CO 0.34 0.14 0.00 0.34 0.86 0.00 0.00 177.93 179.61 2crp n PHE 98 N -4.66 0.00 0.04 2.45 -0.00 -1.26 -0.24 117.46 113.79 2crp n PHE 98 Ca 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.56 2crp n PHE 98 Cb 0.72 -0.46 -0.07 0.00 -0.00 0.00 0.00 39.48 39.67 2crp n PHE 98 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2crp h THR 99 N 0.00 0.98 -0.78 -2.13 2.02 -1.81 -2.70 112.91 108.50 2crp h THR 99 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 2crp h THR 99 Cb 0.00 0.98 -0.15 0.00 -1.74 0.00 0.00 68.15 67.24 2crp h THR 99 CO 0.00 0.00 -0.16 0.50 0.37 0.00 0.00 175.52 176.23 2crp h LYS 100 N -0.01 0.01 -0.34 6.66 3.11 -1.00 0.13 116.57 125.14 2crp h LYS 100 Ca 0.01 -0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.87 2crp h LYS 100 Cb 0.02 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 2crp h LYS 100 CO -0.01 0.01 0.17 -0.44 -2.81 0.00 0.00 179.45 176.36 2crp h ASP 101 N 0.01 0.25 -0.29 4.20 3.32 -0.36 -3.13 116.42 120.42 2crp h ASP 101 Ca 0.38 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.48 2crp h ASP 101 Cb 0.61 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 2crp h ASP 101 CO -0.78 0.19 -0.22 0.40 -1.72 0.00 0.00 179.24 177.11 2crp h ILE 102 N 0.35 0.00 -0.95 0.35 1.08 -0.42 -0.68 117.51 117.24 2crp h ILE 102 Ca 0.14 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.77 2crp h ILE 102 Cb 0.05 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.64 2crp h ILE 102 CO -0.10 0.00 -0.34 0.74 -0.69 0.00 0.00 178.15 177.76 2crp h THR 103 N -0.06 0.03 -0.48 -0.27 2.02 -1.46 0.11 112.91 112.80 2crp h THR 103 Ca 0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.30 2crp h THR 103 Cb 0.18 0.03 -0.10 0.00 -1.74 0.00 0.00 68.15 66.52 2crp h THR 103 CO -0.30 0.00 -0.43 0.24 0.37 0.00 0.00 175.52 175.40 2crp h MET 104 N -0.01 -0.27 0.00 6.66 2.86 -1.11 0.86 114.93 123.91 2crp h MET 104 Ca 0.37 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2crp h MET 104 Cb 0.62 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2crp h MET 104 CO -0.96 -0.18 0.00 0.87 1.06 0.00 0.00 176.91 177.70 2crp h LYS 105 N -0.28 0.00 -0.32 1.72 1.57 -0.22 0.23 116.57 119.27 2crp h LYS 105 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2crp h LYS 105 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2crp h LYS 105 CO -0.62 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.35 2crp n ASN 106 N -2.89 2.31 -0.47 0.86 3.02 0.29 -3.81 115.26 114.56 2crp n ASN 106 Ca -0.03 -1.87 0.13 0.00 -0.03 0.00 0.00 54.58 52.78 2crp n ASN 106 Cb 0.06 -0.21 0.39 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.75 1.59 -0.03 3.41 4.77 0.81 -3.27 117.00 125.02 2crp n LEU 107 Ca 0.16 -0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 55.62 2crp n LEU 107 Cb 0.41 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2crp n LEU 107 CO 0.13 0.27 0.04 0.58 -1.33 0.00 0.00 177.39 177.08 2crp h VAL 108 N 2.33 0.12 -1.48 4.08 2.07 -1.72 -3.40 116.25 118.25 2crp h VAL 108 Ca 0.00 -1.05 -0.58 0.00 0.82 0.00 0.00 66.70 65.88 2crp h VAL 108 Cb 0.58 0.22 -0.42 0.00 -1.52 0.00 0.00 31.29 30.16 2crp h VAL 108 CO 0.00 0.04 -0.75 -0.62 0.02 0.00 0.00 177.57 176.26 2crp n GLU 109 N -4.80 3.36 -2.23 1.57 1.02 -1.26 -5.07 120.64 113.24 2crp n GLU 109 Ca -0.01 -4.46 -0.41 0.00 -0.02 0.00 0.00 57.16 52.26 2crp n GLU 109 Cb 0.05 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.22 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2crp s PRO 110 N -3.53 4.39 0.00 3.49 0.04 -1.20 -4.94 135.00 133.25 2crp s PRO 110 Ca 0.47 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2crp s PRO 110 Cb 0.40 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2crp s PRO 110 CO -0.18 -0.24 0.00 0.45 0.04 0.00 0.00 177.00 177.07 2crp n SER 111 N 2.57 0.00 0.00 6.66 2.88 -1.26 -4.50 113.62 119.97 2crp n SER 111 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2crp n SER 111 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2crp n SER 111 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2crp n LEU 112 N -2.11 0.92 -1.45 2.46 4.77 -1.26 -4.79 117.00 115.53 2crp n LEU 112 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2crp n LEU 112 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 2crp n LEU 112 CO 0.00 0.13 0.70 -0.24 -1.33 0.00 0.00 177.39 176.65 2crp n SER 113 N -1.88 3.99 -0.08 -1.43 2.88 -1.26 -4.42 113.62 111.42 2crp n SER 113 Ca 0.00 -2.65 -0.07 0.00 -1.33 0.00 0.00 58.87 54.81 2crp n SER 113 Cb 0.16 -0.63 -0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2crp h SER 114 N 2.34 0.11 -1.17 -3.46 4.64 -1.88 -2.49 113.55 111.64 2crp h SER 114 Ca 0.05 0.03 -0.68 0.00 -0.47 0.00 0.00 61.79 60.72 2crp h SER 114 Cb 1.55 0.02 -0.30 0.00 -0.31 0.00 0.00 62.40 63.37 2crp h SER 114 CO 0.37 0.10 0.76 0.49 -0.87 0.00 0.00 176.83 177.67 2crp n PHE 115 N -5.03 3.16 0.08 4.77 3.01 -1.26 -4.64 117.46 117.55 2crp n PHE 115 Ca -0.00 -2.85 -0.10 0.00 1.01 0.00 0.00 57.45 55.51 2crp n PHE 115 Cb 0.11 -1.30 -0.06 0.00 -0.01 0.00 0.00 39.48 38.21 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 2.20 -0.25 0.35 4.37 3.58 -1.75 -2.46 116.42 122.47 2crp h ASP 116 Ca 0.58 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 2crp h ASP 116 Cb 0.73 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2crp h ASP 116 CO 1.50 0.28 -0.18 -0.03 -2.88 0.00 0.00 179.24 177.92 2crp h MET 117 N -0.94 -0.47 -0.99 0.28 4.05 -1.82 -0.92 114.93 114.11 2crp h MET 117 Ca -0.03 0.03 0.29 0.00 -0.28 0.00 0.00 59.70 59.71 2crp h MET 117 Cb 0.48 0.11 -0.14 0.00 -0.80 0.00 0.00 31.60 31.24 2crp h MET 117 CO 0.05 -0.31 0.54 0.00 0.23 0.00 0.00 176.91 177.42 2crp h ALA 118 N -1.74 1.84 0.63 0.39 0.00 -1.87 0.43 119.26 118.95 2crp h ALA 118 Ca -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2crp h ALA 118 Cb 0.38 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2crp h ALA 118 CO 0.07 -0.48 -0.30 0.37 0.00 0.00 0.00 179.25 178.92 2crp h GLN 119 N 0.39 -0.81 -0.08 0.00 4.15 -1.25 -1.55 115.11 115.95 2crp h GLN 119 Ca 0.69 0.06 -0.03 0.00 0.77 0.00 0.00 58.65 60.14 2crp h GLN 119 Cb 1.49 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 29.36 2crp h GLN 119 CO -0.57 -0.52 -0.10 1.57 -1.93 0.00 0.00 178.83 177.28 2crp h LYS 120 N -0.91 0.12 0.21 1.69 2.10 0.32 -1.32 116.57 118.77 2crp h LYS 120 Ca -0.09 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2crp h LYS 120 Cb 0.67 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2crp h LYS 120 CO 0.14 0.22 -0.10 -0.09 -2.00 0.00 0.00 179.45 177.62 2crp h ARG 121 N 0.11 -0.27 0.11 0.07 1.12 0.05 -1.57 114.38 114.00 2crp h ARG 121 Ca 0.03 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 2crp h ARG 121 Cb 0.25 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 2crp h ARG 121 CO 0.01 -0.07 -0.05 0.82 -3.11 0.00 0.00 179.97 177.57 2crp h ILE 122 N -0.42 1.05 -0.85 1.20 1.08 -1.08 -3.07 117.51 115.42 2crp h ILE 122 Ca -0.03 -0.64 0.19 0.00 -0.39 0.00 0.00 64.86 63.99 2crp h ILE 122 Cb 0.32 1.46 -0.12 0.00 -3.07 0.00 0.00 36.82 35.42 2crp h ILE 122 CO 0.05 0.16 0.35 -0.74 -0.69 0.00 0.00 178.15 177.27 2crp h HIS 123 N -0.45 0.59 0.00 1.37 2.76 -1.28 0.84 115.15 118.98 2crp h HIS 123 Ca -0.01 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2crp h HIS 123 Cb 0.37 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 2crp h HIS 123 CO 0.02 -0.02 -0.03 0.00 -1.30 0.00 0.00 177.93 176.61 2crp h ALA 124 N 1.66 1.19 0.00 5.26 0.00 -1.20 -1.75 119.26 124.43 2crp h ALA 124 Ca 0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2crp h ALA 124 Cb 0.91 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2crp h ALA 124 CO -0.50 0.04 -0.49 1.25 0.00 0.00 0.00 179.25 179.55 2crp h LEU 125 N 0.00 0.00 0.00 0.00 5.85 0.70 -3.19 115.31 118.67 2crp h LEU 125 Ca -0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2crp h LEU 125 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2crp h LEU 125 CO 0.00 0.85 0.03 1.15 -0.34 0.00 0.00 178.44 180.13 2crp n MET 126 N -4.62 0.00 0.00 1.25 0.00 -0.15 0.72 117.12 114.32 2crp n MET 126 Ca -0.10 0.46 0.06 0.00 0.00 0.00 0.00 57.70 58.12 2crp n MET 126 Cb 0.30 -1.53 -0.12 0.00 0.00 0.00 0.00 33.22 31.87 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 -1.46 0.65 0.00 3.17 0.28 -0.66 0.10 120.64 122.72 2crp n GLU 127 Ca 0.00 -0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.01 2crp n GLU 127 Cb 0.03 -1.62 -0.06 0.00 1.43 0.00 0.00 31.44 31.22 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 -2.51 3.07 -0.00 3.44 2.85 0.77 -4.10 118.16 121.67 2crp n LYS 128 Ca -0.09 -0.07 -0.02 0.00 -1.05 0.00 0.00 58.31 57.09 2crp n LYS 128 Cb 0.70 -1.05 -0.01 0.00 -0.65 0.00 0.00 35.03 34.02 2crp n LYS 128 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2crp n ASP 129 N -1.17 0.68 0.13 -5.58 -0.08 0.22 -4.69 116.55 106.07 2crp n ASP 129 Ca 0.02 0.10 -0.06 0.00 -1.51 0.00 0.00 54.79 53.34 2crp n ASP 129 Cb 0.19 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 43.27 2crp n ASP 129 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2crp h SER 130 N -0.19 -0.36 -0.65 1.67 0.02 -1.68 -2.41 113.55 109.96 2crp h SER 130 Ca 0.00 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2crp h SER 130 Cb 0.19 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.73 2crp h SER 130 CO 0.00 0.06 -0.31 -0.11 -1.14 0.00 0.00 176.83 175.33 2crp n LEU 131 N -4.91 -0.54 0.20 5.07 7.94 0.12 0.27 117.00 125.16 2crp n LEU 131 Ca -0.05 1.14 0.06 0.00 -1.11 0.00 0.00 56.01 56.05 2crp n LEU 131 Cb 0.17 -0.21 0.41 0.00 0.53 0.00 0.00 43.42 44.31 2crp n LEU 131 CO 0.13 -0.99 0.74 1.55 -1.11 0.00 0.00 177.39 177.71 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.71 -2.63 132.00 129.75 2crp h PRO 132 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2crp h PRO 132 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2crp h PRO 132 CO -0.63 0.33 -0.47 0.54 -0.23 0.00 0.00 178.00 177.54 2crp n ARG 133 N -3.69 0.14 0.08 0.86 1.74 0.78 -3.93 116.66 112.64 2crp n ARG 133 Ca -0.01 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 2crp n ARG 133 Cb 0.44 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.72 -0.57 -1.55 3.57 0.30 -3.31 116.94 116.09 2crp h PHE 134 Ca 0.00 -0.52 0.02 0.00 3.53 0.00 0.00 57.97 61.00 2crp h PHE 134 Cb 0.62 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2crp h PHE 134 CO 0.00 1.66 0.38 -0.39 -2.23 0.00 0.00 178.31 177.73 2crp h VAL 135 N 0.11 1.10 -0.38 1.41 -1.51 -1.63 -1.72 116.25 113.63 2crp h VAL 135 Ca -0.34 -0.24 -0.09 0.00 -1.23 0.00 0.00 66.70 64.80 2crp h VAL 135 Cb 2.10 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 2crp h VAL 135 CO 0.18 0.13 -0.14 0.03 -1.23 0.00 0.00 177.57 176.54 2crp h ARG 136 N 0.70 0.68 -6.94 5.19 3.08 -1.69 -3.38 114.38 112.03 2crp h ARG 136 Ca 0.22 -0.23 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2crp h ARG 136 Cb 0.03 -0.06 0.08 0.00 0.08 0.00 0.00 29.97 30.10 2crp h ARG 136 CO -0.06 0.79 0.62 -1.54 -1.07 0.00 0.00 179.97 178.71 2crp s SER 137 N -6.73 6.38 0.37 7.04 1.04 -0.64 -4.84 113.70 116.31 2crp s SER 137 Ca -0.09 2.66 0.19 0.00 0.48 0.00 0.00 55.95 59.19 2crp s SER 137 Cb 0.14 -2.64 1.16 0.00 0.10 0.00 0.00 66.02 64.78 2crp s SER 137 CO 0.81 -0.81 1.67 -0.33 0.98 0.00 0.00 173.24 175.57 2crp h GLU 138 N 2.78 0.28 -1.36 4.02 4.39 -1.85 0.19 114.58 123.03 2crp h GLU 138 Ca -0.50 -0.02 0.47 0.00 0.34 0.00 0.00 59.36 59.66 2crp h GLU 138 Cb 1.24 -0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.69 2crp h GLU 138 CO 0.63 0.18 0.87 1.19 -1.16 0.00 0.00 179.01 180.72 2crp n PHE 139 N -4.89 0.71 -0.05 4.33 3.01 -1.26 0.02 117.46 119.32 2crp n PHE 139 Ca 0.32 0.71 -0.20 0.00 1.01 0.00 0.00 57.45 59.29 2crp n PHE 139 Cb 1.06 -1.15 -0.13 0.00 -0.01 0.00 0.00 39.48 39.26 2crp n PHE 139 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2crp h TYR 140 N 0.00 0.19 -1.06 1.38 5.03 -0.78 -3.27 116.97 118.45 2crp h TYR 140 Ca 0.87 -0.14 0.28 0.00 2.58 0.00 0.00 58.73 62.33 2crp h TYR 140 Cb 2.80 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 40.99 2crp h TYR 140 CO -0.01 1.43 0.71 1.96 -1.32 0.00 0.00 178.16 180.93 2crp h GLN 141 N -0.70 0.28 0.00 1.82 1.08 -0.36 0.92 115.11 118.16 2crp h GLN 141 Ca -0.27 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 56.83 2crp h GLN 141 Cb 1.45 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 2crp h GLN 141 CO -0.06 0.18 -0.40 1.05 -0.95 0.00 0.00 178.83 178.66 2crp h GLU 142 N 0.29 0.00 -0.08 1.46 4.11 -1.09 0.50 114.58 119.77 2crp h GLU 142 Ca 0.58 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.88 2crp h GLU 142 Cb 1.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 2crp h GLU 142 CO -0.22 0.40 -0.54 -0.07 0.07 0.00 0.00 179.01 178.65 2crp h LEU 143 N 0.00 0.24 0.00 3.06 3.38 0.81 -1.58 115.31 121.23 2crp h LEU 143 Ca -0.00 -0.13 -0.35 0.00 0.09 0.00 0.00 57.88 57.49 2crp h LEU 143 Cb 1.19 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2crp h LEU 143 CO 0.05 0.74 -2.32 2.30 0.09 0.00 0.00 178.44 179.30 2crp n ILE 144 N -3.92 1.32 -0.11 1.22 -5.35 -0.89 -4.50 119.36 107.13 2crp n ILE 144 Ca -0.02 -0.49 -0.05 0.00 -0.27 0.00 0.00 62.75 61.92 2crp n ILE 144 Cb 0.57 -1.36 0.15 0.00 -1.74 0.00 0.00 39.64 37.26 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 -0.08 0.77 -1.61 7.28 0.87 -0.11 -3.44 113.55 117.23 2crp h SER 145 Ca -0.52 -0.19 -0.39 0.00 -1.23 0.00 0.00 61.79 59.46 2crp h SER 145 Cb 1.77 -0.21 0.20 0.00 -0.44 0.00 0.00 62.40 63.73 2crp h SER 145 CO -0.11 0.85 -1.50 0.61 -0.53 0.00 0.00 176.83 176.15 2crp n GLY 146 N -0.61 -2.55 3.56 5.77 0.00 -0.59 -4.71 105.19 106.05 2crp n GLY 146 Ca 0.02 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.75 2.57 -0.30 1.61 0.04 -1.26 -4.83 135.00 130.09 2crp s PRO 147 Ca 0.39 -0.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.27 2crp s PRO 147 Cb -0.01 -4.86 0.18 0.00 0.04 0.00 0.00 34.50 29.85 2crp s PRO 147 CO 0.54 -3.19 1.11 0.45 0.04 0.00 0.00 177.00 175.95 2crp s SER 148 N 8.08 -0.36 0.54 6.66 0.15 -1.26 -5.11 113.70 122.40 2crp s SER 148 Ca 0.69 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.73 2crp s SER 148 Cb -0.08 1.35 0.03 0.00 -1.71 0.00 0.00 66.02 65.60 2crp s SER 148 CO 0.06 -0.07 0.38 -0.94 1.20 0.00 0.00 173.24 173.87 2crp s SER 149 N 2.64 4.62 0.00 5.45 1.04 -1.26 -4.23 113.70 121.96 2crp s SER 149 Ca -0.02 -1.25 0.17 0.00 0.48 0.00 0.00 55.95 55.34 2crp s SER 149 Cb -0.07 0.38 0.14 0.00 0.10 0.00 0.00 66.02 66.57 2crp s SER 149 CO -0.13 -1.07 1.05 0.61 0.98 0.00 0.00 173.24 174.68