#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crp n SER 2 N 0.00 -4.95 -0.06 1.61 2.88 -1.26 -4.93 113.62 106.91 2crp n SER 2 Ca 0.00 -0.49 -0.12 0.00 -1.33 0.00 0.00 58.87 56.93 2crp n SER 2 Cb 0.00 -4.47 -0.04 0.00 -0.75 0.00 0.00 64.21 58.95 2crp n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2crp n SER 3 N -2.53 1.23 -4.73 -3.46 2.88 -1.26 -5.07 113.62 100.68 2crp n SER 3 Ca -0.05 0.11 -0.27 0.00 -1.33 0.00 0.00 58.87 57.33 2crp n SER 3 Cb 0.57 -0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.63 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 -5.20 2.47 0.24 0.46 0.00 -1.26 -5.15 107.32 98.87 2crp s GLY 4 Ca -0.17 -1.85 -0.22 0.00 0.00 0.00 0.00 44.72 42.49 2crp s GLY 4 CO 0.22 -1.99 0.72 -1.35 0.00 0.00 0.00 173.10 170.70 2crp s SER 5 N -3.90 -0.32 -0.15 1.64 1.04 -1.26 -5.08 113.70 105.67 2crp s SER 5 Ca 0.35 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 2crp s SER 5 Cb 0.04 0.67 -0.16 0.00 0.10 0.00 0.00 66.02 66.67 2crp s SER 5 CO 0.19 -1.21 0.35 0.28 0.98 0.00 0.00 173.24 173.83 2crp h SER 6 N 2.00 0.00 -6.59 7.02 0.02 -2.06 -3.48 113.55 110.46 2crp h SER 6 Ca -0.23 -0.55 -0.43 0.00 -0.84 0.00 0.00 61.79 59.75 2crp h SER 6 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2crp h SER 6 CO 0.26 1.00 -0.90 0.61 -1.14 0.00 0.00 176.83 176.67 2crp n GLY 7 N 1.60 -0.99 0.14 -3.77 0.00 -1.26 -4.79 105.19 96.12 2crp n GLY 7 Ca -0.14 0.45 0.12 0.00 0.00 0.00 0.00 46.02 46.45 2crp n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crp h PRO 8 N -0.41 0.00 -3.57 1.61 0.13 -2.06 -3.36 132.00 124.34 2crp h PRO 8 Ca -0.54 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.83 2crp h PRO 8 Cb 1.15 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.98 2crp h PRO 8 CO 0.33 0.00 0.13 -2.00 -0.23 0.00 0.00 178.00 176.23 2crp s GLU 9 N -3.35 3.63 0.08 0.86 2.56 -1.26 -5.05 118.70 116.18 2crp s GLU 9 Ca 0.04 -2.98 -0.14 0.00 0.00 0.00 0.00 54.97 51.89 2crp s GLU 9 Cb 0.09 -4.28 -0.06 0.00 2.00 0.00 0.00 34.13 31.88 2crp s GLU 9 CO 0.40 -1.25 0.48 0.15 -0.56 0.00 0.00 175.26 174.48 2crp s LYS 10 N -0.81 3.95 1.17 4.30 1.02 -1.26 -5.09 119.74 123.02 2crp s LYS 10 Ca 0.25 0.44 -0.18 0.00 0.02 0.00 0.00 55.97 56.50 2crp s LYS 10 Cb -0.10 -3.07 0.27 0.00 -0.52 0.00 0.00 37.83 34.41 2crp s LYS 10 CO -0.09 0.58 1.11 -1.25 -0.92 0.00 0.00 175.35 174.77 2crp s PRO 11 N -1.60 -0.94 -0.30 -1.68 0.04 -1.26 -5.09 135.00 124.17 2crp s PRO 11 Ca 0.32 0.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.24 2crp s PRO 11 Cb -0.16 -1.62 0.18 0.00 0.04 0.00 0.00 34.50 32.94 2crp s PRO 11 CO 0.17 -3.54 1.11 0.00 0.04 0.00 0.00 177.00 174.78 2crp s ALA 12 N -3.00 -3.12 -0.25 8.56 0.00 -1.26 -5.17 121.76 117.51 2crp s ALA 12 Ca 0.70 1.78 -0.27 0.00 0.00 0.00 0.00 51.96 54.17 2crp s ALA 12 Cb -0.11 -2.27 0.15 0.00 0.00 0.00 0.00 23.12 20.89 2crp s ALA 12 CO 0.56 -1.11 1.18 0.21 0.00 0.00 0.00 175.76 176.61 2crp s LYS 13 N 2.47 0.34 0.26 0.00 2.47 -1.26 -5.19 119.74 118.83 2crp s LYS 13 Ca -0.01 0.24 -0.11 0.00 -1.56 0.00 0.00 55.97 54.52 2crp s LYS 13 Cb -0.05 0.16 -0.00 0.00 -1.46 0.00 0.00 37.83 36.47 2crp s LYS 13 CO -0.15 -0.07 0.47 -0.08 0.16 0.00 0.00 175.35 175.67 2crp s THR 14 N -0.42 0.00 0.48 3.43 -1.32 -1.26 -5.18 115.64 111.38 2crp s THR 14 Ca 0.04 -1.45 0.02 0.00 -1.21 0.00 0.00 61.69 59.08 2crp s THR 14 Cb -0.03 -2.29 -0.01 0.00 -1.51 0.00 0.00 72.50 68.66 2crp s THR 14 CO -0.07 0.00 0.05 0.00 -2.21 0.00 0.00 174.62 172.40 2crp s GLN 15 N -3.87 2.13 1.05 7.08 0.00 -1.26 -5.13 119.66 119.66 2crp s GLN 15 Ca 0.24 -2.35 -0.21 0.00 -0.00 0.00 0.00 55.36 53.04 2crp s GLN 15 Cb -0.00 -1.16 0.01 0.00 0.00 0.00 0.00 33.01 31.85 2crp s GLN 15 CO 0.11 -0.44 -0.51 1.63 0.00 0.00 0.00 175.29 176.08 2crp n LYS 16 N -1.16 -1.10 -4.08 9.60 5.02 -1.26 -4.96 118.16 120.22 2crp n LYS 16 Ca -0.15 -0.31 -0.35 0.00 -2.02 0.00 0.00 58.31 55.47 2crp n LYS 16 Cb 0.66 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.13 4.75 0.44 -0.18 2.01 -1.26 -5.10 115.64 114.19 2crp s THR 17 Ca 0.45 -0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 2crp s THR 17 Cb -0.03 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2crp s THR 17 CO 0.60 0.51 0.75 -0.44 -0.69 0.00 0.00 174.62 175.35 2crp s SER 18 N -0.05 6.32 0.09 3.53 0.01 -1.26 -4.78 113.70 117.57 2crp s SER 18 Ca 0.06 0.91 -0.27 0.00 1.31 0.00 0.00 55.95 57.96 2crp s SER 18 Cb -0.12 -2.24 -0.13 0.00 0.21 0.00 0.00 66.02 63.74 2crp s SER 18 CO 0.01 -0.50 1.67 0.25 0.41 0.00 0.00 173.24 175.08 2crp h LEU 19 N 0.54 -0.47 -0.54 2.44 7.12 -1.88 -0.45 115.31 122.08 2crp h LEU 19 Ca -0.47 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.58 2crp h LEU 19 Cb 1.20 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.49 2crp h LEU 19 CO 0.62 -0.28 0.07 -0.67 -0.13 0.00 0.00 178.44 178.05 2crp n ASP 20 N -5.31 0.21 -0.06 1.25 2.03 -1.26 -2.46 116.55 110.95 2crp n ASP 20 Ca -0.09 0.55 -0.03 0.00 0.52 0.00 0.00 54.79 55.74 2crp n ASP 20 Cb 0.22 -0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 40.04 2crp n ASP 20 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2crp h GLU 21 N 0.00 0.00 -1.29 -0.67 4.81 -1.50 -3.32 114.58 112.61 2crp h GLU 21 Ca 0.00 0.00 0.44 0.00 -0.13 0.00 0.00 59.36 59.67 2crp h GLU 21 Cb 0.13 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.40 2crp h GLU 21 CO 0.00 0.00 0.84 0.00 -0.73 0.00 0.00 179.01 179.12 2crp n ALA 22 N -3.37 1.27 -0.12 2.92 0.00 -0.70 0.25 120.51 120.77 2crp n ALA 22 Ca -0.05 0.76 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 2crp n ALA 22 Cb 0.20 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2crp n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2crp h LEU 23 N 0.00 0.89 -2.12 0.00 3.38 -1.71 -2.82 115.31 112.93 2crp h LEU 23 Ca 0.79 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 58.36 2crp h LEU 23 Cb 2.62 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 43.12 2crp h LEU 23 CO -0.37 1.16 0.31 1.56 0.09 0.00 0.00 178.44 181.18 2crp h GLN 24 N 0.64 0.00 0.00 1.13 4.20 0.31 0.40 115.11 121.79 2crp h GLN 24 Ca 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2crp h GLN 24 Cb 0.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 2crp h GLN 24 CO 0.08 0.00 -0.16 -1.49 -0.67 0.00 0.00 178.83 176.58 2crp h TRP 25 N 0.00 0.00 0.05 2.96 6.55 -1.35 -3.04 115.95 121.13 2crp h TRP 25 Ca 0.08 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.64 2crp h TRP 25 Cb 0.70 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.02 2crp h TRP 25 CO 0.00 0.16 -1.12 0.00 -1.05 0.00 0.00 178.44 176.43 2crp h ARG 26 N 0.00 0.67 0.22 0.49 3.08 -0.34 -3.34 114.38 115.16 2crp h ARG 26 Ca -0.00 -0.78 0.01 0.00 0.07 0.00 0.00 59.98 59.28 2crp h ARG 26 Cb 0.67 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 2crp h ARG 26 CO 0.02 1.35 -0.46 0.22 -1.07 0.00 0.00 179.97 180.02 2crp h ASP 27 N 0.35 -1.34 -3.61 7.04 3.58 -1.54 -3.42 116.42 117.47 2crp h ASP 27 Ca -0.15 0.14 -0.38 0.00 0.42 0.00 0.00 57.03 57.05 2crp h ASP 27 Cb 1.78 0.49 -0.32 0.00 1.72 0.00 0.00 39.33 43.00 2crp h ASP 27 CO 0.22 -0.55 -0.77 -0.55 -2.88 0.00 0.00 179.24 174.71 2crp s SER 28 N -4.62 0.81 0.25 2.28 0.15 -1.23 -5.04 113.70 106.31 2crp s SER 28 Ca -0.17 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.33 2crp s SER 28 Cb 0.06 -0.31 0.49 0.00 -1.71 0.00 0.00 66.02 64.55 2crp s SER 28 CO 0.62 -0.02 1.69 0.25 1.20 0.00 0.00 173.24 176.99 2crp h LEU 29 N 6.82 0.09 -0.56 3.45 5.85 -1.83 -2.28 115.31 126.86 2crp h LEU 29 Ca -0.36 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2crp h LEU 29 Cb 1.16 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 2crp h LEU 29 CO 0.48 -0.01 -0.44 0.44 -0.34 0.00 0.00 178.44 178.58 2crp h ASP 30 N 0.31 -1.54 -0.83 1.25 3.32 -1.95 0.11 116.42 117.10 2crp h ASP 30 Ca 0.43 0.22 0.20 0.00 0.02 0.00 0.00 57.03 57.91 2crp h ASP 30 Cb 0.74 0.66 -0.16 0.00 0.22 0.00 0.00 39.33 40.79 2crp h ASP 30 CO -0.50 -0.23 -0.07 0.29 -1.72 0.00 0.00 179.24 177.01 2crp n LYS 31 N -4.71 -0.07 0.46 3.56 4.76 -0.86 -0.21 118.16 121.09 2crp n LYS 31 Ca -0.00 1.26 -0.18 0.00 -2.87 0.00 0.00 58.31 56.52 2crp n LYS 31 Cb 0.22 -1.95 -0.09 0.00 -1.84 0.00 0.00 35.03 31.38 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 -0.99 -0.51 -0.35 5.85 -0.86 -2.36 115.31 116.08 2crp h LEU 32 Ca 0.46 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.32 2crp h LEU 32 Cb 0.86 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 2crp h LEU 32 CO -0.81 -0.70 -0.15 -0.07 -0.34 0.00 0.00 178.44 176.37 2crp h LEU 33 N -1.17 -0.54 -0.80 2.25 3.38 -0.09 -0.27 115.31 118.07 2crp h LEU 33 Ca -0.12 0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.19 2crp h LEU 33 Cb 0.89 0.34 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 2crp h LEU 33 CO 0.20 -0.19 0.25 1.56 0.09 0.00 0.00 178.44 180.35 2crp h GLN 34 N -0.02 0.31 -6.40 1.13 4.20 -0.53 -3.40 115.11 110.40 2crp h GLN 34 Ca 0.25 -0.02 -0.54 0.00 0.06 0.00 0.00 58.65 58.40 2crp h GLN 34 Cb 0.40 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2crp h GLN 34 CO -0.54 0.21 0.60 -0.80 -0.67 0.00 0.00 178.83 177.63 2crp s ASN 35 N -5.23 7.09 0.08 1.46 -0.87 -0.12 -4.95 114.94 112.41 2crp s ASN 35 Ca -0.12 1.90 -0.25 0.00 -1.57 0.00 0.00 52.86 52.82 2crp s ASN 35 Cb 0.23 -2.57 -0.16 0.00 -0.02 0.00 0.00 41.25 38.73 2crp s ASN 35 CO 0.76 -0.50 1.70 -1.13 -2.57 0.00 0.00 177.10 175.37 2crp h ASN 36 N 7.09 -0.14 -0.04 -1.22 -1.24 -1.80 0.16 115.58 118.38 2crp h ASN 36 Ca -0.38 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 56.65 2crp h ASN 36 Cb 1.19 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 40.24 2crp h ASN 36 CO 0.83 -0.09 -0.18 0.22 -1.29 0.00 0.00 177.43 176.93 2crp h TYR 37 N -0.19 -0.46 -0.83 0.67 3.20 -1.92 0.14 116.97 117.59 2crp h TYR 37 Ca -0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2crp h TYR 37 Cb 0.14 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 2crp h TYR 37 CO -0.06 -0.25 0.42 0.78 -1.64 0.00 0.00 178.16 177.40 2crp h GLY 38 N -0.27 1.26 0.59 1.82 0.00 -1.75 -2.52 103.07 102.21 2crp h GLY 38 Ca 0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 2crp h GLY 38 CO -0.20 0.58 -0.29 -2.00 0.00 0.00 0.00 176.54 174.63 2crp h LEU 39 N 1.16 -0.68 -0.80 3.11 5.85 -0.20 0.18 115.31 123.93 2crp h LEU 39 Ca 0.29 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.14 2crp h LEU 39 Cb 0.08 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.16 2crp h LEU 39 CO -0.04 -0.41 -0.44 0.00 -0.34 0.00 0.00 178.44 177.22 2crp h ALA 40 N -1.48 -0.17 -0.63 1.25 0.00 -0.76 0.20 119.26 117.68 2crp h ALA 40 Ca -0.08 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2crp h ALA 40 Cb 0.61 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2crp h ALA 40 CO 0.13 -0.77 0.29 0.77 0.00 0.00 0.00 179.25 179.68 2crp h SER 41 N -0.10 0.83 -0.71 0.00 0.02 -1.49 -2.75 113.55 109.36 2crp h SER 41 Ca 0.24 -0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.16 2crp h SER 41 Cb 0.55 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 2crp h SER 41 CO -0.84 0.75 0.32 0.15 -1.14 0.00 0.00 176.83 176.06 2crp h PHE 42 N 0.87 0.56 0.39 3.45 3.57 0.22 -2.62 116.94 123.38 2crp h PHE 42 Ca 0.21 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2crp h PHE 42 Cb 0.14 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2crp h PHE 42 CO 0.00 0.16 -0.26 0.87 -2.23 0.00 0.00 178.31 176.85 2crp h LYS 43 N 0.52 -0.59 -0.89 1.11 1.57 -0.58 -2.90 116.57 114.81 2crp h LYS 43 Ca 0.36 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.38 2crp h LYS 43 Cb 0.45 0.13 -0.17 0.00 0.08 0.00 0.00 32.23 32.72 2crp h LYS 43 CO -0.31 -0.39 -0.16 0.45 -0.57 0.00 0.00 179.45 178.46 2crp n SER 44 N -3.92 -0.27 -0.27 0.86 2.88 -1.10 0.14 113.62 111.94 2crp n SER 44 Ca -0.07 1.53 0.08 0.00 -1.33 0.00 0.00 58.87 59.08 2crp n SER 44 Cb 0.26 -0.48 0.23 0.00 -0.75 0.00 0.00 64.21 63.46 2crp n SER 44 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2crp h PHE 45 N 0.00 0.37 0.15 0.66 3.57 -1.27 -1.21 116.94 119.21 2crp h PHE 45 Ca 0.45 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 2crp h PHE 45 Cb 0.76 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2crp h PHE 45 CO -0.63 -0.09 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.21 2crp h LEU 46 N 0.29 -0.17 -0.97 0.59 4.07 0.13 -2.86 115.31 116.39 2crp h LEU 46 Ca 0.47 -0.15 0.28 0.00 0.08 0.00 0.00 57.88 58.56 2crp h LEU 46 Cb 0.85 0.05 -0.18 0.00 1.08 0.00 0.00 40.66 42.46 2crp h LEU 46 CO -0.54 0.05 0.10 0.11 -1.08 0.00 0.00 178.44 177.07 2crp h LYS 47 N -0.39 0.03 -0.62 1.13 1.57 -0.72 1.22 116.57 118.79 2crp h LYS 47 Ca -0.02 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2crp h LYS 47 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2crp h LYS 47 CO 0.03 0.02 0.13 0.77 -0.57 0.00 0.00 179.45 179.84 2crp h SER 48 N 0.03 0.95 1.06 0.86 0.02 -1.33 -2.23 113.55 112.91 2crp h SER 48 Ca 0.61 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2crp h SER 48 Cb 1.30 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2crp h SER 48 CO -0.87 0.95 0.00 -0.62 -1.14 0.00 0.00 176.83 175.15 2crp n GLU 49 N -4.32 0.04 -2.47 3.45 -0.58 0.29 -4.91 120.64 112.13 2crp n GLU 49 Ca 0.03 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.69 2crp n GLU 49 Cb 0.26 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.61 -0.85 -1.94 -0.32 3.72 0.34 -4.92 117.46 111.88 2crp n PHE 50 Ca 0.07 0.16 0.03 0.00 -0.05 0.00 0.00 57.45 57.66 2crp n PHE 50 Cb 0.35 -2.82 0.13 0.00 -0.94 0.00 0.00 39.48 36.20 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 -0.44 1.68 0.19 4.37 7.64 -0.98 -4.76 113.62 121.31 2crp n SER 51 Ca -0.10 -3.25 0.06 0.00 1.01 0.00 0.00 58.87 56.59 2crp n SER 51 Cb 0.58 -0.45 0.34 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.73 1.43 4.81 -1.91 -3.06 114.58 116.24 2crp h GLU 52 Ca -0.05 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.32 2crp h GLU 52 Cb 1.32 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 2crp h GLU 52 CO 0.08 0.37 0.49 1.05 -0.73 0.00 0.00 179.01 180.27 2crp h GLU 53 N 0.00 0.38 -0.38 1.92 4.11 -1.87 -0.42 114.58 118.32 2crp h GLU 53 Ca -0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.42 2crp h GLU 53 Cb 0.90 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2crp h GLU 53 CO 0.05 0.25 0.22 -0.91 0.07 0.00 0.00 179.01 178.69 2crp h ASN 54 N 0.40 0.35 -0.08 3.06 4.21 -1.82 -2.76 115.58 118.93 2crp h ASN 54 Ca 0.35 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.79 2crp h ASN 54 Cb 0.82 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 2crp h ASN 54 CO -0.11 0.25 -0.27 0.25 -1.29 0.00 0.00 177.43 176.26 2crp h LEU 55 N 0.44 0.38 -0.93 1.61 6.46 -1.41 -3.32 115.31 118.53 2crp h LEU 55 Ca 0.15 -0.62 0.09 0.00 -0.12 0.00 0.00 57.88 57.38 2crp h LEU 55 Cb 0.02 -0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 39.72 2crp h LEU 55 CO -0.08 0.93 -0.58 -0.33 -0.62 0.00 0.00 178.44 177.76 2crp h GLU 56 N -0.16 -0.04 -1.05 1.25 4.39 -0.99 0.73 114.58 118.71 2crp h GLU 56 Ca -0.01 0.00 0.34 0.00 0.34 0.00 0.00 59.36 60.03 2crp h GLU 56 Cb 0.90 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.42 2crp h GLU 56 CO 0.06 -0.03 0.62 0.35 -1.16 0.00 0.00 179.01 178.85 2crp h PHE 57 N -0.05 0.85 0.35 4.33 3.57 -1.59 -0.77 116.94 123.63 2crp h PHE 57 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2crp h PHE 57 Cb 0.43 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2crp h PHE 57 CO -0.99 -0.16 -0.17 2.35 -2.23 0.00 0.00 178.31 177.11 2crp h TRP 58 N 0.29 -0.43 -0.97 0.41 7.01 0.32 -2.11 115.95 120.47 2crp h TRP 58 Ca 0.74 -0.01 0.32 0.00 2.11 0.00 0.00 58.89 62.05 2crp h TRP 58 Cb 1.80 0.14 -0.17 0.00 -2.10 0.00 0.00 29.16 28.84 2crp h TRP 58 CO -0.01 -0.27 0.35 0.82 -2.79 0.00 0.00 178.44 176.55 2crp h ILE 59 N -0.65 0.14 -0.32 2.65 2.04 -0.36 0.50 117.51 121.51 2crp h ILE 59 Ca -0.05 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 2crp h ILE 59 Cb 0.36 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2crp h ILE 59 CO 0.08 0.02 0.11 0.00 0.00 0.00 0.00 178.15 178.36 2crp h ALA 60 N 1.92 0.41 -0.35 1.87 0.00 -1.18 -2.67 119.26 119.26 2crp h ALA 60 Ca 0.70 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.52 2crp h ALA 60 Cb 1.62 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 2crp h ALA 60 CO -0.75 0.04 -0.47 0.00 0.00 0.00 0.00 179.25 178.07 2crp h GLU 62 N -0.39 0.90 0.00 0.00 4.39 -1.46 0.16 114.58 118.18 2crp h GLU 62 Ca 0.11 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2crp h GLU 62 Cb 0.60 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2crp h GLU 62 CO -0.54 0.59 -0.02 0.22 -1.16 0.00 0.00 179.01 178.10 2crp h ASP 63 N 0.92 0.00 0.62 1.42 1.82 -0.68 -2.28 116.42 118.24 2crp h ASP 63 Ca 0.42 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.78 2crp h ASP 63 Cb 0.32 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.29 2crp h ASP 63 CO -0.22 0.02 -1.51 0.22 -1.61 0.00 0.00 179.24 176.14 2crp h TYR 64 N 0.00 0.05 -0.14 0.28 5.03 0.18 -3.33 116.97 119.03 2crp h TYR 64 Ca -0.00 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.23 2crp h TYR 64 Cb 0.29 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2crp h TYR 64 CO 0.00 1.06 -0.11 0.87 -1.32 0.00 0.00 178.16 178.66 2crp h LYS 65 N 0.01 0.22 -0.95 1.82 1.79 -0.64 -1.81 116.57 117.01 2crp h LYS 65 Ca -0.21 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 2crp h LYS 65 Cb 1.95 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.54 2crp h LYS 65 CO 0.10 0.34 0.04 0.36 -1.08 0.00 0.00 179.45 179.22 2crp n LYS 66 N -4.30 1.54 -3.54 3.15 2.85 -1.17 -4.78 118.16 111.92 2crp n LYS 66 Ca -0.01 -0.57 -0.41 0.00 -1.05 0.00 0.00 58.31 56.28 2crp n LYS 66 Cb 0.25 -1.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.04 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 -1.06 5.09 -0.13 0.58 1.01 -0.68 -4.93 121.20 121.08 2crp s ILE 67 Ca 0.10 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.36 2crp s ILE 67 Cb 0.08 -3.70 -0.23 0.00 0.01 0.00 0.00 42.46 38.61 2crp s ILE 67 CO 0.03 -0.11 0.34 2.29 0.00 0.00 0.00 174.94 177.48 2crp n LYS 68 N 5.09 0.68 -1.57 2.79 -0.00 -1.26 -4.72 118.16 119.18 2crp n LYS 68 Ca -0.12 0.21 -0.53 0.00 -0.00 0.00 0.00 58.31 57.87 2crp n LYS 68 Cb 0.48 -1.68 -0.06 0.00 -0.00 0.00 0.00 35.03 33.77 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 -3.14 1.21 0.27 -5.58 7.64 -1.26 -4.84 113.62 107.92 2crp n SER 69 Ca -0.28 1.13 0.16 0.00 1.01 0.00 0.00 58.87 60.89 2crp n SER 69 Cb 1.06 -1.13 0.67 0.00 -1.01 0.00 0.00 64.21 63.80 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 4.01 0.00 0.09 1.43 0.13 -2.00 -1.67 132.00 133.99 2crp h PRO 70 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.29 2crp h PRO 70 Cb 1.36 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 2crp h PRO 70 CO 0.74 0.04 -2.06 0.00 -0.23 0.00 0.00 178.00 176.49 2crp n ALA 71 N -2.12 1.00 -0.01 -0.56 0.00 -1.26 -4.18 120.51 113.38 2crp n ALA 71 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 2crp n ALA 71 Cb 0.31 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 2crp n ALA 71 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2crp h LYS 72 N -0.05 0.04 -1.12 0.00 1.63 -1.93 0.39 116.57 115.53 2crp h LYS 72 Ca -0.46 -0.01 0.34 0.00 -0.85 0.00 0.00 60.65 59.67 2crp h LYS 72 Cb 1.94 -0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 33.45 2crp h LYS 72 CO 0.02 0.38 0.70 0.52 -3.45 0.00 0.00 179.45 177.61 2crp h MET 73 N -0.31 0.27 0.00 1.90 2.86 -1.51 0.81 114.93 118.95 2crp h MET 73 Ca 0.01 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2crp h MET 73 Cb 0.36 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2crp h MET 73 CO 0.00 0.18 -0.70 0.00 1.06 0.00 0.00 176.91 177.45 2crp h ALA 74 N 1.69 0.07 0.15 6.32 0.00 -1.69 -3.29 119.26 122.52 2crp h ALA 74 Ca 0.71 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2crp h ALA 74 Cb 1.90 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 20.20 2crp h ALA 74 CO -0.44 0.54 -0.42 0.93 0.00 0.00 0.00 179.25 179.87 2crp h GLU 75 N -1.00 -0.65 -0.60 0.00 4.39 0.21 -2.35 114.58 114.57 2crp h GLU 75 Ca -0.10 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.77 2crp h GLU 75 Cb 0.71 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 29.40 2crp h GLU 75 CO -0.06 -0.43 -0.05 -0.22 -1.16 0.00 0.00 179.01 177.08 2crp h LYS 76 N -0.67 0.07 -0.87 2.33 1.63 0.46 -0.18 116.57 119.34 2crp h LYS 76 Ca 0.01 -0.00 0.22 0.00 -0.85 0.00 0.00 60.65 60.03 2crp h LYS 76 Cb 0.69 -0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.15 2crp h LYS 76 CO -0.22 0.05 0.11 0.00 -3.45 0.00 0.00 179.45 175.93 2crp h ALA 77 N 1.57 1.09 -0.74 5.00 0.00 -1.49 0.45 119.26 125.13 2crp h ALA 77 Ca 0.31 0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 2crp h ALA 77 Cb 0.49 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2crp h ALA 77 CO -0.56 -0.48 0.24 1.57 0.00 0.00 0.00 179.25 180.02 2crp h LYS 78 N 0.12 1.15 -0.23 0.00 2.10 -0.85 -2.85 116.57 116.02 2crp h LYS 78 Ca 0.52 -0.25 0.06 0.00 -2.00 0.00 0.00 60.65 58.98 2crp h LYS 78 Cb 1.02 -0.17 -0.06 0.00 -0.90 0.00 0.00 32.23 32.12 2crp h LYS 78 CO -0.73 0.98 -0.18 1.96 -2.00 0.00 0.00 179.45 179.48 2crp h GLN 79 N 1.10 -0.17 -0.01 0.07 4.20 0.24 0.39 115.11 120.93 2crp h GLN 79 Ca 0.24 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2crp h GLN 79 Cb 0.30 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2crp h GLN 79 CO -0.01 -0.11 -0.00 0.82 -0.67 0.00 0.00 178.83 178.86 2crp h ILE 80 N -0.17 1.01 0.01 2.54 2.04 -1.30 -2.00 117.51 119.63 2crp h ILE 80 Ca 0.13 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.81 2crp h ILE 80 Cb 0.37 1.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2crp h ILE 80 CO -0.34 0.01 -0.53 0.22 0.00 0.00 0.00 178.15 177.51 2crp h TYR 81 N 0.02 0.52 0.00 1.37 5.03 -0.78 0.33 116.97 123.45 2crp h TYR 81 Ca 0.00 -0.29 0.00 0.00 2.58 0.00 0.00 58.73 61.03 2crp h TYR 81 Cb 0.02 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.24 2crp h TYR 81 CO 0.00 1.11 0.00 0.39 -1.32 0.00 0.00 178.16 178.34 2crp n GLU 82 N -4.28 0.05 -0.10 1.82 1.02 0.12 0.19 120.64 119.46 2crp n GLU 82 Ca -0.10 0.27 -0.22 0.00 -0.02 0.00 0.00 57.16 57.09 2crp n GLU 82 Cb 0.65 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.44 0.44 -0.09 3.49 2.13 -0.79 -4.56 120.64 119.82 2crp n GLU 83 Ca 0.03 0.19 -0.16 0.00 0.66 0.00 0.00 57.16 57.88 2crp n GLU 83 Cb 0.12 -1.24 -0.05 0.00 0.27 0.00 0.00 31.44 30.53 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 -3.91 0.00 0.90 4.31 3.72 0.10 -3.65 117.46 118.93 2crp n PHE 84 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2crp n PHE 84 Cb 0.79 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 -4.15 0.64 -4.19 4.37 2.08 0.50 -4.19 119.36 114.42 2crp n ILE 85 Ca -0.29 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.71 2crp n ILE 85 Cb 0.63 -0.81 -0.08 0.00 -0.75 0.00 0.00 39.64 38.63 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 -0.21 2.76 0.19 0.38 0.74 0.52 -4.64 119.66 119.40 2crp s GLN 86 Ca 0.00 -0.67 -0.32 0.00 0.05 0.00 0.00 55.36 54.41 2crp s GLN 86 Cb 0.00 -2.66 -0.15 0.00 1.10 0.00 0.00 33.01 31.30 2crp s GLN 86 CO 0.00 0.59 1.27 2.41 -0.55 0.00 0.00 175.29 179.02 2crp n THR 87 N 1.01 0.84 -2.77 -0.34 -1.04 -1.26 -0.91 114.28 109.81 2crp n THR 87 Ca -0.12 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.05 61.57 2crp n THR 87 Cb 0.52 -1.10 -0.02 0.00 -1.82 0.00 0.00 70.33 67.92 2crp n THR 87 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2crp n GLU 88 N 1.95 -2.13 -0.81 -2.82 0.28 -1.26 -4.80 120.64 111.04 2crp n GLU 88 Ca 0.14 0.04 -0.34 0.00 -0.16 0.00 0.00 57.16 56.84 2crp n GLU 88 Cb 0.27 -3.90 0.11 0.00 1.43 0.00 0.00 31.44 29.35 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 -2.55 -3.50 0.11 -1.84 0.00 -0.09 -4.89 120.51 107.75 2crp n ALA 89 Ca 0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 53.44 52.66 2crp n ALA 89 Cb 0.41 -1.60 0.22 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.55 0.16 0.00 0.00 0.13 -1.87 -3.21 132.00 125.65 2crp h PRO 90 Ca -0.45 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2crp h PRO 90 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2crp h PRO 90 CO 0.33 0.60 -0.12 1.63 -0.23 0.00 0.00 178.00 180.21 2crp n LYS 91 N -3.97 1.06 -1.43 0.86 5.02 -1.24 -5.04 118.16 113.42 2crp n LYS 91 Ca -0.02 -2.34 -0.47 0.00 -2.02 0.00 0.00 58.31 53.47 2crp n LYS 91 Cb 0.51 -1.32 -0.13 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.16 0.15 -0.75 1.97 2.13 -1.22 -4.71 120.64 117.06 2crp n GLU 92 Ca 0.13 0.02 -0.29 0.00 0.66 0.00 0.00 57.16 57.68 2crp n GLU 92 Cb 0.66 -1.71 0.20 0.00 0.27 0.00 0.00 31.44 30.86 2crp n GLU 92 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2crp s VAL 93 N 8.24 2.18 -0.82 6.31 -7.23 -1.26 -4.90 120.40 122.92 2crp s VAL 93 Ca 1.27 0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 61.24 2crp s VAL 93 Cb -1.23 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 33.55 2crp s VAL 93 CO 0.52 -0.08 1.31 0.20 -0.31 0.00 0.00 175.10 176.74 2crp s ASN 94 N -2.78 6.27 -0.19 4.85 -0.87 -1.26 -4.93 114.94 116.02 2crp s ASN 94 Ca 0.67 -0.80 -0.04 0.00 -1.57 0.00 0.00 52.86 51.12 2crp s ASN 94 Cb -0.23 -2.55 0.09 0.00 -0.02 0.00 0.00 41.25 38.54 2crp s ASN 94 CO 0.61 -1.71 0.24 0.27 -2.57 0.00 0.00 177.10 173.94 2crp s ILE 95 N 5.36 -0.37 1.06 0.60 -4.36 -1.26 -4.78 121.20 117.46 2crp s ILE 95 Ca 0.37 -0.02 -0.20 0.00 -0.26 0.00 0.00 60.65 60.55 2crp s ILE 95 Cb -0.06 -0.64 0.02 0.00 1.25 0.00 0.00 42.46 43.03 2crp s ILE 95 CO 0.07 -0.12 -0.31 -0.67 0.24 0.00 0.00 174.94 174.15 2crp n ASP 96 N 5.33 -2.70 -0.12 4.36 2.03 -1.26 -4.34 116.55 119.86 2crp n ASP 96 Ca -0.05 -0.01 0.10 0.00 0.52 0.00 0.00 54.79 55.34 2crp n ASP 96 Cb 0.50 -0.89 0.45 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.71 0.56 0.03 -0.67 3.86 -2.01 -0.88 115.15 114.33 2crp h HIS 97 Ca -0.49 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2crp h HIS 97 Cb 1.35 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.64 2crp h HIS 97 CO 0.16 0.27 -0.06 0.35 0.86 0.00 0.00 177.93 179.51 2crp h PHE 98 N 0.53 -0.17 -0.24 2.45 3.04 -2.00 0.24 116.94 120.78 2crp h PHE 98 Ca 0.29 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.24 2crp h PHE 98 Cb 0.44 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 2crp h PHE 98 CO -0.00 -0.07 0.15 1.15 -2.02 0.00 0.00 178.31 177.52 2crp h THR 99 N -0.10 1.09 -0.46 4.41 2.02 -1.85 -2.65 112.91 115.37 2crp h THR 99 Ca -0.00 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.07 2crp h THR 99 Cb 0.09 0.78 -0.10 0.00 -1.74 0.00 0.00 68.15 67.19 2crp h THR 99 CO -0.03 0.08 -0.27 0.50 0.37 0.00 0.00 175.52 176.17 2crp h LYS 100 N 0.31 -0.17 -0.32 6.66 3.11 -1.08 -1.18 116.57 123.89 2crp h LYS 100 Ca 0.09 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.00 2crp h LYS 100 Cb 0.01 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.22 2crp h LYS 100 CO -0.02 -0.11 -0.01 -0.44 -2.81 0.00 0.00 179.45 176.06 2crp h ASP 101 N -0.18 -0.14 -0.26 4.20 3.32 -0.36 -3.03 116.42 119.97 2crp h ASP 101 Ca 0.21 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.35 2crp h ASP 101 Cb 0.51 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2crp h ASP 101 CO -0.56 -0.04 -0.17 0.40 -1.72 0.00 0.00 179.24 177.15 2crp h ILE 102 N 0.09 0.00 -0.97 0.35 1.08 -0.86 -0.17 117.51 117.03 2crp h ILE 102 Ca 0.16 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.79 2crp h ILE 102 Cb 0.21 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.80 2crp h ILE 102 CO -0.27 0.00 -0.34 0.41 -0.69 0.00 0.00 178.15 177.26 2crp n THR 103 N -3.62 -0.48 -0.07 -0.27 -1.04 -1.10 -0.42 114.28 107.28 2crp n THR 103 Ca 0.00 2.26 -0.11 0.00 -2.04 0.00 0.00 64.05 64.16 2crp n THR 103 Cb 0.08 -3.03 -0.06 0.00 -1.82 0.00 0.00 70.33 65.50 2crp n THR 103 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2crp h MET 104 N 0.00 -0.40 -0.01 -2.82 2.86 -1.00 0.47 114.93 114.03 2crp h MET 104 Ca 0.38 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2crp h MET 104 Cb 0.62 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2crp h MET 104 CO -0.98 -0.27 0.04 0.87 1.06 0.00 0.00 176.91 177.64 2crp h LYS 105 N -0.41 0.00 -0.21 1.72 1.57 -0.01 0.30 116.57 119.53 2crp h LYS 105 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2crp h LYS 105 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2crp h LYS 105 CO -0.50 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.47 2crp n ASN 106 N -3.20 1.84 -0.32 0.86 3.02 0.16 -3.71 115.26 113.91 2crp n ASN 106 Ca -0.03 -1.76 0.14 0.00 -0.03 0.00 0.00 54.58 52.90 2crp n ASN 106 Cb 0.11 -0.13 0.47 0.00 -0.61 0.00 0.00 39.78 39.62 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 0.45 1.12 -0.04 3.41 4.77 0.11 -3.05 117.00 123.76 2crp n LEU 107 Ca 0.16 -0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 2crp n LEU 107 Cb 0.35 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2crp n LEU 107 CO 0.13 0.20 0.10 0.58 -1.33 0.00 0.00 177.39 177.06 2crp h VAL 108 N 1.55 0.39 -1.45 4.08 2.07 -1.71 -3.40 116.25 117.77 2crp h VAL 108 Ca 0.00 -1.26 -0.57 0.00 0.82 0.00 0.00 66.70 65.69 2crp h VAL 108 Cb 0.48 0.73 -0.42 0.00 -1.52 0.00 0.00 31.29 30.56 2crp h VAL 108 CO 0.00 0.13 -0.77 -0.62 0.02 0.00 0.00 177.57 176.33 2crp n GLU 109 N -4.76 3.24 -2.17 1.57 1.02 -1.26 -5.06 120.64 113.21 2crp n GLU 109 Ca -0.03 -4.39 -0.42 0.00 -0.02 0.00 0.00 57.16 52.30 2crp n GLU 109 Cb 0.11 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 29.34 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 -3.51 4.26 0.00 3.49 0.04 -1.17 -4.91 135.00 133.20 2crp s PRO 110 Ca 0.46 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2crp s PRO 110 Cb 0.41 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2crp s PRO 110 CO -0.16 -0.64 0.00 0.43 0.04 0.00 0.00 177.00 176.67 2crp n SER 111 N 5.70 0.00 0.00 6.66 7.64 -1.26 -4.54 113.62 127.82 2crp n SER 111 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2crp n SER 111 Cb 0.43 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -2.41 0.49 -1.01 -3.43 4.77 -1.26 -4.79 117.00 109.35 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 0.15 0.00 -2.33 0.00 0.00 43.42 41.24 2crp n LEU 112 CO 0.00 -0.08 0.48 -1.20 -1.33 0.00 0.00 177.39 175.27 2crp n SER 113 N -2.18 2.73 -0.07 -1.43 7.64 -1.26 -4.43 113.62 114.63 2crp n SER 113 Ca 0.00 -2.34 -0.10 0.00 1.01 0.00 0.00 58.87 57.44 2crp n SER 113 Cb 0.15 -0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 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 1.42 -1.21 -0.99 6.43 0.02 -1.88 -1.18 113.55 116.15 2crp h SER 114 Ca 0.00 0.18 -0.66 0.00 -0.84 0.00 0.00 61.79 60.48 2crp h SER 114 Cb 1.05 0.53 -0.29 0.00 0.14 0.00 0.00 62.40 63.83 2crp h SER 114 CO 0.18 -0.37 0.85 0.49 -1.14 0.00 0.00 176.83 176.85 2crp n PHE 115 N -5.42 3.20 -0.02 3.45 3.01 -1.26 -4.59 117.46 115.84 2crp n PHE 115 Ca -0.02 -2.92 -0.01 0.00 1.01 0.00 0.00 57.45 55.51 2crp n PHE 115 Cb 0.35 -1.41 0.27 0.00 -0.01 0.00 0.00 39.48 38.67 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 1.90 0.54 0.00 4.37 3.58 -1.51 -1.36 116.42 123.95 2crp h ASP 116 Ca 0.61 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2crp h ASP 116 Cb 0.99 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2crp h ASP 116 CO 1.55 0.62 -0.04 -0.03 -2.88 0.00 0.00 179.24 178.46 2crp h MET 117 N 0.55 0.00 -1.36 0.28 4.05 -1.81 -3.16 114.93 113.47 2crp h MET 117 Ca 0.11 0.00 0.41 0.00 -0.28 0.00 0.00 59.70 59.95 2crp h MET 117 Cb 0.36 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.06 2crp h MET 117 CO 0.01 0.00 0.92 0.00 0.23 0.00 0.00 176.91 178.07 2crp h ALA 118 N -1.77 2.92 0.21 0.39 0.00 -1.85 0.39 119.26 119.56 2crp h ALA 118 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2crp h ALA 118 Cb 0.04 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2crp h ALA 118 CO 0.00 -1.45 -0.10 0.37 0.00 0.00 0.00 179.25 178.07 2crp h GLN 119 N 0.11 -0.28 0.00 0.00 4.15 -1.39 -2.05 115.11 115.65 2crp h GLN 119 Ca 0.76 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 60.13 2crp h GLN 119 Cb 2.55 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 30.29 2crp h GLN 119 CO -0.26 0.05 -0.33 1.57 -1.93 0.00 0.00 178.83 177.93 2crp h LYS 120 N -0.63 0.00 0.37 1.69 2.10 -0.59 -1.44 116.57 118.07 2crp h LYS 120 Ca -0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2crp h LYS 120 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2crp h LYS 120 CO 0.05 0.33 -0.18 -0.09 -2.00 0.00 0.00 179.45 177.57 2crp h ARG 121 N 0.00 -0.48 -0.27 0.07 1.12 -0.32 -1.48 114.38 113.03 2crp h ARG 121 Ca -0.00 0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.87 2crp h ARG 121 Cb 0.63 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.69 2crp h ARG 121 CO 0.04 -0.19 0.04 0.82 -3.11 0.00 0.00 179.97 177.57 2crp h ILE 122 N -0.74 1.23 -0.76 1.20 1.08 -1.33 -2.72 117.51 115.48 2crp h ILE 122 Ca -0.05 -0.80 0.11 0.00 -0.39 0.00 0.00 64.86 63.73 2crp h ILE 122 Cb 0.51 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2crp h ILE 122 CO 0.08 0.26 0.50 -0.74 -0.69 0.00 0.00 178.15 177.56 2crp h HIS 123 N 0.25 0.66 0.00 1.37 2.76 -1.30 0.23 115.15 119.12 2crp h HIS 123 Ca 0.08 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2crp h HIS 123 Cb 0.35 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2crp h HIS 123 CO 0.02 0.29 -0.24 0.00 -1.30 0.00 0.00 177.93 176.70 2crp h ALA 124 N 1.63 0.99 0.13 5.26 0.00 -1.01 -2.56 119.26 123.70 2crp h ALA 124 Ca 0.36 -0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 2crp h ALA 124 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2crp h ALA 124 CO -0.13 0.30 -1.43 1.25 0.00 0.00 0.00 179.25 179.23 2crp h LEU 125 N 0.00 0.43 -0.26 0.00 5.85 -0.38 -3.09 115.31 117.86 2crp h LEU 125 Ca -0.00 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.84 2crp h LEU 125 Cb 0.80 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2crp h LEU 125 CO 0.03 1.64 0.00 1.15 -0.34 0.00 0.00 178.44 180.92 2crp n MET 126 N -3.88 0.07 0.01 1.25 0.00 0.28 0.10 117.12 114.95 2crp n MET 126 Ca -0.24 0.32 0.06 0.00 0.00 0.00 0.00 57.70 57.83 2crp n MET 126 Cb 0.93 -1.64 -0.12 0.00 0.00 0.00 0.00 33.22 32.39 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 -1.77 0.65 0.00 3.17 0.28 -0.97 0.15 120.64 122.15 2crp n GLU 127 Ca 0.03 -0.03 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2crp n GLU 127 Cb 0.19 -1.63 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 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 -2.53 2.94 -0.01 3.44 -0.00 -0.91 -4.04 118.16 117.06 2crp n LYS 128 Ca -0.09 -0.34 -0.01 0.00 -0.00 0.00 0.00 58.31 57.87 2crp n LYS 128 Cb 0.70 -1.00 -0.00 0.00 -0.00 0.00 0.00 35.03 34.73 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 -0.65 0.48 -0.06 -5.58 2.03 0.28 -4.72 116.55 108.34 2crp n ASP 129 Ca 0.03 0.07 -0.06 0.00 0.52 0.00 0.00 54.79 55.36 2crp n ASP 129 Cb 0.17 -0.35 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 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 -0.16 0.00 -0.64 1.67 4.64 -1.66 -3.06 113.55 114.34 2crp h SER 130 Ca 0.00 -0.41 0.10 0.00 -0.47 0.00 0.00 61.79 61.01 2crp h SER 130 Cb 0.16 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.15 2crp h SER 130 CO 0.00 0.71 -0.25 -0.11 -0.87 0.00 0.00 176.83 176.30 2crp n LEU 131 N -4.71 -0.42 0.12 5.97 7.94 0.12 0.25 117.00 126.27 2crp n LEU 131 Ca -0.04 1.12 -0.02 0.00 -1.11 0.00 0.00 56.01 55.96 2crp n LEU 131 Cb 0.20 -0.25 0.22 0.00 0.53 0.00 0.00 43.42 44.11 2crp n LEU 131 CO 0.14 -1.00 0.60 1.55 -1.11 0.00 0.00 177.39 177.57 2crp h PRO 132 N 0.00 0.15 0.00 1.96 0.13 -1.71 -2.72 132.00 129.80 2crp h PRO 132 Ca 0.22 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2crp h PRO 132 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2crp h PRO 132 CO -0.64 0.60 -0.27 0.54 -0.23 0.00 0.00 178.00 178.00 2crp n ARG 133 N -3.97 0.15 0.05 0.86 1.74 0.70 -3.48 116.66 112.72 2crp n ARG 133 Ca -0.02 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 56.98 2crp n ARG 133 Cb 0.52 -1.64 -0.14 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.43 -0.16 -1.55 3.57 0.29 -3.31 116.94 116.21 2crp h PHE 134 Ca 0.00 -0.32 -0.14 0.00 3.53 0.00 0.00 57.97 61.05 2crp h PHE 134 Cb 0.63 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2crp h PHE 134 CO 0.00 1.41 -0.48 -0.39 -2.23 0.00 0.00 178.31 176.62 2crp h VAL 135 N 0.06 1.33 -0.49 1.41 -1.51 -1.57 -3.15 116.25 112.33 2crp h VAL 135 Ca -0.27 -1.69 -0.00 0.00 -1.23 0.00 0.00 66.70 63.50 2crp h VAL 135 Cb 2.02 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 32.89 2crp h VAL 135 CO 0.15 0.52 0.29 0.03 -1.23 0.00 0.00 177.57 177.33 2crp h ARG 136 N 0.33 0.66 -7.20 5.19 3.08 -1.68 -3.39 114.38 111.37 2crp h ARG 136 Ca 0.02 -0.06 -0.46 0.00 0.07 0.00 0.00 59.98 59.54 2crp h ARG 136 Cb 0.97 -0.14 0.20 0.00 0.08 0.00 0.00 29.97 31.08 2crp h ARG 136 CO 0.08 0.48 0.09 -1.54 -1.07 0.00 0.00 179.97 178.02 2crp s SER 137 N -5.72 1.73 0.24 7.04 1.04 -1.19 -4.85 113.70 111.99 2crp s SER 137 Ca -0.13 1.69 -0.05 0.00 0.48 0.00 0.00 55.95 57.94 2crp s SER 137 Cb 0.12 -2.35 0.25 0.00 0.10 0.00 0.00 66.02 64.13 2crp s SER 137 CO 0.74 -3.76 1.75 -0.08 0.98 0.00 0.00 173.24 172.88 2crp h GLU 138 N -2.32 0.96 -0.76 4.02 4.81 -1.85 -2.99 114.58 116.45 2crp h GLU 138 Ca -0.55 -0.23 0.31 0.00 -0.13 0.00 0.00 59.36 58.75 2crp h GLU 138 Cb 1.31 -0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 2crp h GLU 138 CO 0.48 0.89 0.43 1.19 -0.73 0.00 0.00 179.01 181.27 2crp n PHE 139 N -4.23 0.78 -0.02 0.92 3.72 -1.26 0.11 117.46 117.48 2crp n PHE 139 Ca 0.04 0.79 -0.22 0.00 -0.05 0.00 0.00 57.45 58.02 2crp n PHE 139 Cb 0.27 -1.21 -0.13 0.00 -0.94 0.00 0.00 39.48 37.46 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 0.36 -0.98 1.38 3.20 -1.66 -3.32 116.97 115.95 2crp h TYR 140 Ca 0.61 -0.26 0.27 0.00 3.14 0.00 0.00 58.73 62.49 2crp h TYR 140 Cb 1.69 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.89 2crp h TYR 140 CO -0.01 1.61 0.68 1.96 -1.64 0.00 0.00 178.16 180.76 2crp h GLN 141 N -0.34 0.15 0.00 1.82 1.08 0.80 0.76 115.11 119.38 2crp h GLN 141 Ca -0.35 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 56.73 2crp h GLN 141 Cb 1.74 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 29.13 2crp h GLN 141 CO 0.01 0.10 -0.51 1.05 -0.95 0.00 0.00 178.83 178.53 2crp h GLU 142 N 0.15 0.00 -0.29 1.46 4.11 -0.97 0.41 114.58 119.46 2crp h GLU 142 Ca 0.49 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.78 2crp h GLU 142 Cb 1.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 2crp h GLU 142 CO -0.10 0.51 -0.40 -0.07 0.07 0.00 0.00 179.01 179.02 2crp h LEU 143 N 0.00 0.74 0.04 3.06 3.38 0.42 0.22 115.31 123.18 2crp h LEU 143 Ca -0.01 -0.33 -0.38 0.00 0.09 0.00 0.00 57.88 57.25 2crp h LEU 143 Cb 1.25 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2crp h LEU 143 CO 0.07 1.05 -2.27 2.30 0.09 0.00 0.00 178.44 179.68 2crp n ILE 144 N -4.04 1.60 -0.15 1.22 -5.35 -0.96 -4.42 119.36 107.26 2crp n ILE 144 Ca -0.02 -0.56 -0.11 0.00 -0.27 0.00 0.00 62.75 61.79 2crp n ILE 144 Cb 0.53 -1.59 0.01 0.00 -1.74 0.00 0.00 39.64 36.85 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 -0.09 1.01 -1.86 7.28 0.87 -0.28 -3.45 113.55 117.02 2crp h SER 145 Ca -0.53 -0.39 -0.20 0.00 -1.23 0.00 0.00 61.79 59.45 2crp h SER 145 Cb 1.90 -0.28 0.11 0.00 -0.44 0.00 0.00 62.40 63.70 2crp h SER 145 CO -0.06 1.18 -0.26 0.61 -0.53 0.00 0.00 176.83 177.77 2crp n GLY 146 N -0.10 -2.35 0.06 5.77 0.00 0.07 -4.92 105.19 103.73 2crp n GLY 146 Ca -0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2crp n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crp h PRO 147 N -2.62 0.04 -5.99 1.61 0.13 -1.87 -3.46 132.00 119.84 2crp h PRO 147 Ca -0.21 -0.02 -0.45 0.00 -0.87 0.00 0.00 66.00 64.45 2crp h PRO 147 Cb 0.69 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.54 2crp h PRO 147 CO 0.13 0.52 -0.64 0.43 -0.23 0.00 0.00 178.00 178.20 2crp n SER 148 N -4.82 -1.30 -0.04 1.44 7.64 -1.26 -4.68 113.62 110.59 2crp n SER 148 Ca -0.08 -0.88 -0.07 0.00 1.01 0.00 0.00 58.87 58.84 2crp n SER 148 Cb 0.26 -1.14 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 2crp n SER 148 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crp n SER 149 N -1.52 2.36 -0.77 6.43 7.64 -1.26 -4.57 113.62 121.93 2crp n SER 149 Ca 0.09 0.01 0.10 0.00 1.01 0.00 0.00 58.87 60.07 2crp n SER 149 Cb 0.32 -0.18 0.08 0.00 -1.01 0.00 0.00 64.21 63.42 2crp n SER 149 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64