#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 -1.09 -0.33 1.61 3.41 -1.26 -4.75 113.62 111.21 2crp n SER 2 Ca 0.00 -1.25 0.02 0.00 -0.26 0.00 0.00 58.87 57.38 2crp n SER 2 Cb 0.00 -1.59 0.08 0.00 -0.26 0.00 0.00 64.21 62.44 2crp n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2crp n SER 3 N -2.55 -0.44 -4.89 4.04 2.88 -1.26 -4.28 113.62 107.12 2crp n SER 3 Ca 0.00 1.52 -0.34 0.00 -1.33 0.00 0.00 58.87 58.72 2crp n SER 3 Cb 0.51 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.52 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 -3.88 2.22 -0.05 0.46 0.00 -1.26 -5.10 107.32 99.70 2crp s GLY 4 Ca -0.13 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 43.99 2crp s GLY 4 CO 0.65 -0.47 -0.17 -1.35 0.00 0.00 0.00 173.10 171.77 2crp s SER 5 N -1.71 2.15 1.20 1.64 1.04 -1.26 -5.14 113.70 111.62 2crp s SER 5 Ca 0.26 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 2crp s SER 5 Cb -0.13 -0.70 0.29 0.00 0.10 0.00 0.00 66.02 65.58 2crp s SER 5 CO 0.16 0.13 1.12 -0.44 0.98 0.00 0.00 173.24 175.18 2crp s SER 6 N 0.18 0.90 0.00 7.02 0.01 -1.26 -5.07 113.70 115.48 2crp s SER 6 Ca -0.07 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2crp s SER 6 Cb -0.13 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.28 2crp s SER 6 CO 0.03 -4.13 0.00 0.61 0.41 0.00 0.00 173.24 170.16 2crp n GLY 7 N -1.01 -1.61 3.31 3.44 0.00 -1.26 -5.18 105.19 102.89 2crp n GLY 7 Ca 0.14 0.95 -0.28 0.00 0.00 0.00 0.00 46.02 46.82 2crp n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crp n PRO 8 N 0.00 -3.05 -4.17 1.61 -0.04 -1.26 -5.10 135.00 122.99 2crp n PRO 8 Ca 0.00 -1.65 -0.15 0.00 -0.04 0.00 0.00 63.50 61.66 2crp n PRO 8 Cb 0.00 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 2crp n PRO 8 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2crp s GLU 9 N -5.35 1.58 0.11 0.54 -1.05 -1.26 -5.18 118.70 108.10 2crp s GLU 9 Ca 0.67 -1.73 0.07 0.00 -0.15 0.00 0.00 54.97 53.83 2crp s GLU 9 Cb -0.07 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 2crp s GLU 9 CO 0.52 -0.60 -0.18 -1.59 0.95 0.00 0.00 175.26 174.36 2crp s LYS 10 N -3.66 1.08 0.65 -4.83 0.00 -1.26 -5.14 119.74 106.58 2crp s LYS 10 Ca 0.35 -1.18 -0.15 0.00 0.00 0.00 0.00 55.97 54.99 2crp s LYS 10 Cb 0.03 -1.21 -0.00 0.00 0.00 0.00 0.00 37.83 36.65 2crp s LYS 10 CO 0.18 0.27 1.11 -1.25 0.00 0.00 0.00 175.35 175.66 2crp s PRO 11 N -2.15 2.84 0.00 1.78 0.04 -1.26 -4.99 135.00 131.26 2crp s PRO 11 Ca 0.07 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2crp s PRO 11 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2crp s PRO 11 CO 0.04 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 175.86 2crp n ALA 12 N -2.35 2.00 -0.94 8.56 0.00 -1.26 -5.07 120.51 121.45 2crp n ALA 12 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 2crp n ALA 12 Cb 0.52 0.44 -0.00 0.00 0.00 0.00 0.00 19.45 20.41 2crp n ALA 12 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2crp n LYS 13 N -2.38 0.00 -4.46 0.00 2.85 -1.26 -4.98 118.16 107.93 2crp n LYS 13 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 2crp n LYS 13 Cb 0.45 -0.72 -0.10 0.00 -0.65 0.00 0.00 35.03 34.01 2crp n LYS 13 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2crp s THR 14 N -1.23 0.93 1.17 0.58 -1.32 -1.26 -5.15 115.64 109.37 2crp s THR 14 Ca 0.43 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.73 2crp s THR 14 Cb -0.46 -2.62 0.28 0.00 -1.51 0.00 0.00 72.50 68.19 2crp s THR 14 CO 0.46 0.00 0.64 0.00 -2.21 0.00 0.00 174.62 173.50 2crp n GLN 15 N -0.75 -3.39 -3.72 7.08 10.64 -1.26 -5.06 117.38 120.93 2crp n GLN 15 Ca -0.04 -1.07 -0.13 0.00 -1.83 0.00 0.00 57.00 53.93 2crp n GLN 15 Cb 0.66 -1.57 -0.10 0.00 -0.86 0.00 0.00 30.24 28.38 2crp n GLN 15 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2crp s LYS 16 N -4.29 0.54 0.44 2.61 1.02 -1.26 -5.14 119.74 113.65 2crp s LYS 16 Ca 0.49 0.59 -0.18 0.00 0.02 0.00 0.00 55.97 56.89 2crp s LYS 16 Cb -0.09 0.26 -0.14 0.00 -0.52 0.00 0.00 37.83 37.34 2crp s LYS 16 CO 0.41 -0.07 -0.05 2.41 -0.92 0.00 0.00 175.35 177.13 2crp n THR 17 N 2.75 0.18 -4.16 2.17 -1.04 -1.26 -4.94 114.28 107.98 2crp n THR 17 Ca -0.14 -0.46 -0.35 0.00 -2.04 0.00 0.00 64.05 61.05 2crp n THR 17 Cb 0.57 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.00 2crp n THR 17 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2crp s SER 18 N -0.93 5.72 0.10 8.00 0.01 -1.26 -4.97 113.70 120.38 2crp s SER 18 Ca 0.54 0.27 -0.22 0.00 1.31 0.00 0.00 55.95 57.84 2crp s SER 18 Cb -0.50 -1.72 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 2crp s SER 18 CO 0.60 0.38 1.38 0.25 0.41 0.00 0.00 173.24 176.26 2crp h LEU 19 N 4.97 -1.44 -1.84 2.44 7.12 -1.91 0.98 115.31 125.63 2crp h LEU 19 Ca -0.52 0.21 0.38 0.00 0.13 0.00 0.00 57.88 58.07 2crp h LEU 19 Cb 1.21 0.62 -0.05 0.00 -0.53 0.00 0.00 40.66 41.90 2crp h LEU 19 CO 0.57 -0.21 1.03 -2.24 -0.13 0.00 0.00 178.44 177.46 2crp h ASP 20 N -0.11 0.00 0.09 1.25 2.03 -1.99 -0.81 116.42 116.88 2crp h ASP 20 Ca 0.09 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.38 2crp h ASP 20 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 2crp h ASP 20 CO -0.57 0.00 -0.04 -0.08 -1.03 0.00 0.00 179.24 177.52 2crp h GLU 21 N 0.00 -0.11 -1.60 4.15 4.81 0.50 -3.22 114.58 119.11 2crp h GLU 21 Ca 0.61 0.01 0.49 0.00 -0.13 0.00 0.00 59.36 60.35 2crp h GLU 21 Cb 2.67 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 31.98 2crp h GLU 21 CO -0.01 -0.07 1.11 0.00 -0.73 0.00 0.00 179.01 179.31 2crp n ALA 22 N -2.73 1.55 -0.03 2.92 0.00 -0.12 0.25 120.51 122.34 2crp n ALA 22 Ca -0.01 0.68 -0.17 0.00 0.00 0.00 0.00 53.44 53.94 2crp n ALA 22 Cb 0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.11 0.00 3.38 -1.55 -3.04 115.31 112.88 2crp h LEU 23 Ca 0.85 -0.62 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2crp h LEU 23 Cb 3.13 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 43.62 2crp h LEU 23 CO -0.18 1.36 0.31 1.56 0.09 0.00 0.00 178.44 181.58 2crp h GLN 24 N 0.48 0.00 0.00 1.13 4.20 0.32 0.42 115.11 121.67 2crp h GLN 24 Ca -0.04 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2crp h GLN 24 Cb 1.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 2crp h GLN 24 CO 0.15 0.00 -0.21 -1.49 -0.67 0.00 0.00 178.83 176.61 2crp h TRP 25 N 0.00 0.00 -0.27 2.96 6.55 -1.40 -3.08 115.95 120.71 2crp h TRP 25 Ca 0.03 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.73 2crp h TRP 25 Cb 0.65 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.95 2crp h TRP 25 CO 0.00 0.21 -0.41 0.00 -1.05 0.00 0.00 178.44 177.19 2crp h ARG 26 N 0.00 0.75 -0.10 0.49 3.08 -0.30 -3.30 114.38 115.00 2crp h ARG 26 Ca -0.00 -0.45 0.03 0.00 0.07 0.00 0.00 59.98 59.63 2crp h ARG 26 Cb 0.74 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.77 2crp h ARG 26 CO 0.03 1.07 -0.53 0.22 -1.07 0.00 0.00 179.97 179.69 2crp h ASP 27 N 0.49 -1.67 -4.69 7.04 1.82 -1.61 -3.43 116.42 114.38 2crp h ASP 27 Ca 0.02 0.20 -0.30 0.00 -0.39 0.00 0.00 57.03 56.56 2crp h ASP 27 Cb 1.01 0.65 -0.22 0.00 0.68 0.00 0.00 39.33 41.45 2crp h ASP 27 CO 0.09 -0.48 -0.74 -0.44 -1.61 0.00 0.00 179.24 176.06 2crp s SER 28 N -4.76 0.97 0.07 2.28 0.01 -1.24 -5.06 113.70 105.97 2crp s SER 28 Ca -0.15 -0.54 -0.23 0.00 1.31 0.00 0.00 55.95 56.34 2crp s SER 28 Cb 0.07 0.02 -0.14 0.00 0.21 0.00 0.00 66.02 66.18 2crp s SER 28 CO 0.59 -0.17 1.64 0.25 0.41 0.00 0.00 173.24 175.96 2crp h LEU 29 N 4.54 0.07 -0.90 2.44 5.85 -1.85 -3.02 115.31 122.45 2crp h LEU 29 Ca -0.36 -0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.42 2crp h LEU 29 Cb 1.20 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 42.04 2crp h LEU 29 CO 0.41 0.17 -0.25 -0.78 -0.34 0.00 0.00 178.44 177.65 2crp h ASP 30 N -0.03 -0.93 -1.10 1.25 3.58 -1.93 0.90 116.42 118.17 2crp h ASP 30 Ca 0.02 0.27 0.31 0.00 0.42 0.00 0.00 57.03 58.05 2crp h ASP 30 Cb 0.11 0.58 -0.11 0.00 1.72 0.00 0.00 39.33 41.64 2crp h ASP 30 CO -0.00 -0.30 0.70 0.11 -2.88 0.00 0.00 179.24 176.87 2crp h LYS 31 N -0.01 0.31 0.17 0.28 1.57 -1.84 0.27 116.57 117.32 2crp h LYS 31 Ca 0.41 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2crp h LYS 31 Cb 0.65 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2crp h LYS 31 CO -0.92 0.21 -0.08 1.25 -0.57 0.00 0.00 179.45 179.33 2crp h LEU 32 N 0.32 -0.19 -0.68 2.94 5.85 0.74 -3.20 115.31 121.09 2crp h LEU 32 Ca 0.66 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.54 2crp h LEU 32 Cb 1.76 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 42.71 2crp h LEU 32 CO -0.36 -0.03 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.57 2crp h LEU 33 N -0.44 -0.44 -0.83 2.25 3.38 -1.01 -0.42 115.31 117.80 2crp h LEU 33 Ca -0.02 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.29 2crp h LEU 33 Cb 0.17 0.36 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 2crp h LEU 33 CO 0.04 -0.18 -0.24 1.56 0.09 0.00 0.00 178.44 179.71 2crp h GLN 34 N 0.06 -0.02 -6.51 1.13 1.08 -0.60 -3.39 115.11 106.87 2crp h GLN 34 Ca 0.35 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 57.02 2crp h GLN 34 Cb 0.58 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2crp h GLN 34 CO -0.64 -0.01 0.59 1.21 -0.95 0.00 0.00 178.83 179.03 2crp s ASN 35 N -5.25 7.03 0.10 1.46 2.47 -0.17 -4.95 114.94 115.62 2crp s ASN 35 Ca -0.15 2.10 -0.32 0.00 0.42 0.00 0.00 52.86 54.91 2crp s ASN 35 Cb 0.22 -2.58 -0.13 0.00 -1.45 0.00 0.00 41.25 37.31 2crp s ASN 35 CO 0.75 -0.50 1.60 -1.13 -3.72 0.00 0.00 177.10 174.10 2crp h ASN 36 N 6.69 -1.09 -0.04 -4.21 -1.24 -1.82 0.15 115.58 114.02 2crp h ASN 36 Ca -0.42 0.10 0.03 0.00 0.71 0.00 0.00 56.30 56.72 2crp h ASN 36 Cb 1.21 0.37 -0.06 0.00 0.73 0.00 0.00 38.32 40.57 2crp h ASN 36 CO 0.82 -0.53 -0.45 0.22 -1.29 0.00 0.00 177.43 176.19 2crp h TYR 37 N -0.78 -1.29 -0.61 0.67 3.20 -1.92 0.62 116.97 116.85 2crp h TYR 37 Ca -0.02 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2crp h TYR 37 Cb 0.71 0.57 -0.07 0.00 1.54 0.00 0.00 36.73 39.49 2crp h TYR 37 CO -0.24 -0.51 0.24 0.78 -1.64 0.00 0.00 178.16 176.79 2crp h GLY 38 N -0.57 0.85 0.72 1.82 0.00 -1.74 -2.14 103.07 102.01 2crp h GLY 38 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2crp h GLY 38 CO -0.36 0.00 -0.42 -2.00 0.00 0.00 0.00 176.54 173.77 2crp h LEU 39 N 0.44 -1.03 -0.86 3.11 5.85 0.01 0.19 115.31 123.01 2crp h LEU 39 Ca 0.30 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.24 2crp h LEU 39 Cb 0.35 0.29 -0.16 0.00 0.37 0.00 0.00 40.66 41.51 2crp h LEU 39 CO -0.29 -0.66 -0.23 0.00 -0.34 0.00 0.00 178.44 176.93 2crp h ALA 40 N -1.34 0.53 -0.24 1.25 0.00 -0.73 0.17 119.26 118.90 2crp h ALA 40 Ca -0.10 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2crp h ALA 40 Cb 0.84 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2crp h ALA 40 CO 0.12 -0.41 0.06 0.66 0.00 0.00 0.00 179.25 179.68 2crp h SER 41 N -0.01 0.36 -0.30 0.00 4.64 -1.23 -2.99 113.55 114.02 2crp h SER 41 Ca 0.41 -0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.57 2crp h SER 41 Cb 0.63 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 2crp h SER 41 CO -0.88 0.49 -0.18 0.15 -0.87 0.00 0.00 176.83 175.53 2crp h PHE 42 N 0.22 -0.46 -0.02 4.77 3.57 0.21 -2.23 116.94 123.01 2crp h PHE 42 Ca 0.08 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2crp h PHE 42 Cb 0.26 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2crp h PHE 42 CO 0.01 -0.26 -0.41 0.87 -2.23 0.00 0.00 178.31 176.30 2crp h LYS 43 N -0.15 -0.48 -0.83 1.11 1.57 -0.92 -2.18 116.57 114.71 2crp h LYS 43 Ca 0.16 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.12 2crp h LYS 43 Cb 0.39 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.66 2crp h LYS 43 CO -0.39 -0.32 -0.29 1.03 -0.57 0.00 0.00 179.45 178.91 2crp h SER 44 N -0.49 -1.06 -1.13 0.86 0.87 -1.34 0.70 113.55 111.95 2crp h SER 44 Ca 0.01 0.26 0.35 0.00 -1.23 0.00 0.00 61.79 61.19 2crp h SER 44 Cb 0.54 0.60 -0.13 0.00 -0.44 0.00 0.00 62.40 62.97 2crp h SER 44 CO -0.28 -0.29 0.70 0.15 -0.53 0.00 0.00 176.83 176.58 2crp h PHE 45 N -0.04 0.70 0.03 2.24 3.57 -0.79 0.39 116.94 123.05 2crp h PHE 45 Ca 0.35 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 2crp h PHE 45 Cb 0.60 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2crp h PHE 45 CO -0.72 -0.13 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.15 2crp h LEU 46 N 0.25 -0.04 -1.00 0.59 4.07 0.58 -3.12 115.31 116.64 2crp h LEU 46 Ca 0.73 -0.65 0.41 0.00 0.08 0.00 0.00 57.88 58.45 2crp h LEU 46 Cb 1.98 0.01 -0.18 0.00 1.08 0.00 0.00 40.66 43.55 2crp h LEU 46 CO -0.45 0.67 0.51 0.11 -1.08 0.00 0.00 178.44 178.20 2crp h LYS 47 N -0.80 0.01 -0.21 1.13 1.57 -0.11 1.15 116.57 119.31 2crp h LYS 47 Ca -0.00 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2crp h LYS 47 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2crp h LYS 47 CO 0.01 0.01 -0.38 1.03 -0.57 0.00 0.00 179.45 179.54 2crp h SER 48 N 0.01 0.70 0.61 0.86 0.87 -1.50 -2.92 113.55 112.17 2crp h SER 48 Ca 0.83 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2crp h SER 48 Cb 2.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.94 2crp h SER 48 CO -0.78 1.10 0.00 -0.62 -0.53 0.00 0.00 176.83 176.01 2crp n GLU 49 N -4.25 0.27 -2.97 2.24 -0.58 0.33 -4.89 120.64 110.78 2crp n GLU 49 Ca -0.06 0.04 -0.18 0.00 -0.42 0.00 0.00 57.16 56.55 2crp n GLU 49 Cb 0.52 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.35 -1.73 -2.12 -0.32 3.01 0.25 -4.91 117.46 110.30 2crp n PHE 50 Ca 0.11 0.50 0.01 0.00 1.01 0.00 0.00 57.45 59.08 2crp n PHE 50 Cb 0.24 -3.89 0.10 0.00 -0.01 0.00 0.00 39.48 35.91 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 -1.74 1.76 0.17 4.37 7.64 -1.07 -4.80 113.62 119.95 2crp n SER 51 Ca -0.07 -2.96 0.01 0.00 1.01 0.00 0.00 58.87 56.86 2crp n SER 51 Cb 0.59 -0.42 0.30 0.00 -1.01 0.00 0.00 64.21 63.67 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 1.29 0.00 -1.05 1.43 4.81 -1.91 -3.01 114.58 116.14 2crp h GLU 52 Ca -0.06 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.44 2crp h GLU 52 Cb 1.43 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.71 2crp h GLU 52 CO 0.14 0.45 0.66 1.05 -0.73 0.00 0.00 179.01 180.57 2crp h GLU 53 N 0.00 0.42 -0.86 1.92 4.11 -1.87 0.43 114.58 118.74 2crp h GLU 53 Ca -0.00 -0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.48 2crp h GLU 53 Cb 0.79 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2crp h GLU 53 CO 0.06 0.28 0.56 -0.91 0.07 0.00 0.00 179.01 179.06 2crp h ASN 54 N 0.43 0.81 0.15 3.06 4.21 -1.81 -2.46 115.58 119.97 2crp h ASN 54 Ca 0.63 0.01 -0.21 0.00 1.21 0.00 0.00 56.30 57.94 2crp h ASN 54 Cb 1.49 -0.16 0.02 0.00 -1.12 0.00 0.00 38.32 38.55 2crp h ASN 54 CO -0.37 0.51 -0.94 0.25 -1.29 0.00 0.00 177.43 175.59 2crp h LEU 55 N 0.91 0.49 -0.76 1.61 6.46 -0.39 -3.34 115.31 120.29 2crp h LEU 55 Ca 0.38 -0.94 0.16 0.00 -0.12 0.00 0.00 57.88 57.36 2crp h LEU 55 Cb 0.28 -0.16 -0.14 0.00 -0.73 0.00 0.00 40.66 39.91 2crp h LEU 55 CO -0.14 1.45 -0.13 -0.33 -0.62 0.00 0.00 178.44 178.66 2crp h GLU 56 N -0.32 0.02 -0.91 1.25 4.39 -0.77 0.54 114.58 118.78 2crp h GLU 56 Ca -0.17 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.65 2crp h GLU 56 Cb 1.70 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 30.27 2crp h GLU 56 CO 0.15 0.02 0.58 0.35 -1.16 0.00 0.00 179.01 178.95 2crp h PHE 57 N 0.02 0.92 0.64 4.33 3.57 -1.58 -0.82 116.94 124.02 2crp h PHE 57 Ca 0.38 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 2crp h PHE 57 Cb 0.62 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.08 2crp h PHE 57 CO -0.56 0.36 -0.31 2.35 -2.23 0.00 0.00 178.31 177.93 2crp h TRP 58 N 0.80 -0.80 -0.64 0.41 7.01 -0.08 -2.21 115.95 120.44 2crp h TRP 58 Ca 0.45 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.56 2crp h TRP 58 Cb 0.59 0.26 -0.11 0.00 -2.10 0.00 0.00 29.16 27.80 2crp h TRP 58 CO -0.00 -0.50 -0.03 0.82 -2.79 0.00 0.00 178.44 175.94 2crp h ILE 59 N -1.18 0.44 -0.50 2.65 2.04 -1.01 -0.29 117.51 119.66 2crp h ILE 59 Ca -0.09 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.80 2crp h ILE 59 Cb 0.66 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2crp h ILE 59 CO 0.14 0.02 0.20 0.00 0.00 0.00 0.00 178.15 178.51 2crp h ALA 60 N 1.60 0.62 -0.18 1.87 0.00 -1.19 -2.23 119.26 119.75 2crp h ALA 60 Ca 0.33 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.33 2crp h ALA 60 Cb 0.54 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 2crp h ALA 60 CO -0.58 -0.18 -0.55 0.00 0.00 0.00 0.00 179.25 177.95 2crp h GLU 62 N -0.55 0.67 0.00 0.00 4.39 -1.27 0.36 114.58 118.17 2crp h GLU 62 Ca 0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2crp h GLU 62 Cb 0.67 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2crp h GLU 62 CO -0.47 0.44 -0.03 0.22 -1.16 0.00 0.00 179.01 178.01 2crp h ASP 63 N 0.69 0.00 0.78 1.42 3.58 -0.55 -2.09 116.42 120.24 2crp h ASP 63 Ca 0.44 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.67 2crp h ASP 63 Cb 0.55 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 2crp h ASP 63 CO -0.32 0.03 -1.33 0.22 -2.88 0.00 0.00 179.24 174.97 2crp h TYR 64 N 0.00 0.00 -0.30 0.28 5.03 0.22 -3.33 116.97 118.87 2crp h TYR 64 Ca -0.00 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 2crp h TYR 64 Cb 0.28 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 2crp h TYR 64 CO 0.00 0.85 -0.20 0.87 -1.32 0.00 0.00 178.16 178.36 2crp h LYS 65 N 0.00 0.55 -0.97 1.82 1.79 -0.50 -2.38 116.57 116.88 2crp h LYS 65 Ca -0.16 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2crp h LYS 65 Cb 1.79 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.39 2crp h LYS 65 CO 0.08 0.72 0.01 0.36 -1.08 0.00 0.00 179.45 179.55 2crp n LYS 66 N -4.14 1.25 -3.26 3.15 2.85 -1.14 -4.75 118.16 112.11 2crp n LYS 66 Ca 0.00 -0.23 -0.43 0.00 -1.05 0.00 0.00 58.31 56.60 2crp n LYS 66 Cb 0.38 -1.47 -0.08 0.00 -0.65 0.00 0.00 35.03 33.22 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 -0.97 5.01 -0.15 0.58 1.01 -0.90 -4.90 121.20 120.89 2crp s ILE 67 Ca 0.04 -0.41 0.18 0.00 0.00 0.00 0.00 60.65 60.46 2crp s ILE 67 Cb 0.03 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 2crp s ILE 67 CO 0.01 -0.57 0.90 0.07 0.00 0.00 0.00 174.94 175.35 2crp h LYS 68 N 8.82 0.00 -6.65 2.79 -0.00 -1.89 -3.44 116.57 116.21 2crp h LYS 68 Ca -0.27 0.00 -0.55 0.00 -0.00 0.00 0.00 60.65 59.83 2crp h LYS 68 Cb 1.10 0.00 0.07 0.00 -0.00 0.00 0.00 32.23 33.40 2crp h LYS 68 CO 0.86 0.24 0.87 0.43 -0.00 0.00 0.00 179.45 181.85 2crp n SER 69 N -2.87 3.56 0.17 7.07 7.64 -1.26 -4.89 113.62 123.05 2crp n SER 69 Ca -0.07 1.10 0.02 0.00 1.01 0.00 0.00 58.87 60.93 2crp n SER 69 Cb 0.78 -1.52 0.30 0.00 -1.01 0.00 0.00 64.21 62.75 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 5.67 0.00 0.19 1.43 0.13 -2.00 -1.48 132.00 135.94 2crp h PRO 70 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 2crp h PRO 70 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2crp h PRO 70 CO 0.87 0.46 -1.69 0.00 -0.23 0.00 0.00 178.00 177.40 2crp h ALA 71 N 1.54 0.12 0.02 -0.56 0.00 -2.00 -3.35 119.26 115.04 2crp h ALA 71 Ca -0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 53.80 2crp h ALA 71 Cb 0.84 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2crp h ALA 71 CO 0.06 0.97 -0.01 -0.22 0.00 0.00 0.00 179.25 180.04 2crp h LYS 72 N 0.08 -0.03 -1.15 0.00 1.63 -1.95 0.37 116.57 115.52 2crp h LYS 72 Ca -0.33 0.00 0.37 0.00 -0.85 0.00 0.00 60.65 59.84 2crp h LYS 72 Cb 2.08 0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 33.58 2crp h LYS 72 CO 0.18 0.29 0.71 0.52 -3.45 0.00 0.00 179.45 177.70 2crp h MET 73 N -0.35 0.20 0.00 1.90 2.86 -1.44 0.67 114.93 118.77 2crp h MET 73 Ca -0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2crp h MET 73 Cb 0.33 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2crp h MET 73 CO 0.01 0.13 -0.68 0.00 1.06 0.00 0.00 176.91 177.43 2crp n ALA 74 N -2.43 0.52 0.13 6.32 0.00 -1.13 -3.68 120.51 120.26 2crp n ALA 74 Ca 0.34 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 2crp n ALA 74 Cb 1.19 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.00 -0.74 -0.85 0.00 4.39 0.22 -1.73 114.58 114.88 2crp h GLU 75 Ca -0.08 0.05 0.20 0.00 0.34 0.00 0.00 59.36 59.87 2crp h GLU 75 Cb 0.68 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 29.38 2crp h GLU 75 CO -0.05 -0.49 0.34 -0.22 -1.16 0.00 0.00 179.01 177.44 2crp h LYS 76 N -0.76 0.38 -0.37 2.33 1.63 0.17 -0.95 116.57 118.99 2crp h LYS 76 Ca -0.01 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 2crp h LYS 76 Cb 0.76 -0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 32.22 2crp h LYS 76 CO -0.26 0.25 -0.28 0.00 -3.45 0.00 0.00 179.45 175.72 2crp h ALA 77 N 1.67 -0.09 -0.98 5.00 0.00 -1.39 -0.33 119.26 123.13 2crp h ALA 77 Ca 0.51 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.59 2crp h ALA 77 Cb 0.92 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 2crp h ALA 77 CO -0.51 -0.67 0.63 1.57 0.00 0.00 0.00 179.25 180.28 2crp h LYS 78 N -0.22 1.14 -0.06 0.00 2.10 -0.87 -2.64 116.57 116.02 2crp h LYS 78 Ca 0.17 -0.07 0.04 0.00 -2.00 0.00 0.00 60.65 58.80 2crp h LYS 78 Cb 0.50 -0.26 -0.05 0.00 -0.90 0.00 0.00 32.23 31.52 2crp h LYS 78 CO -0.50 0.75 -0.29 1.96 -2.00 0.00 0.00 179.45 179.38 2crp h GLN 79 N 1.17 -0.39 -0.37 0.07 4.20 -0.63 0.38 115.11 119.55 2crp h GLN 79 Ca 0.41 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.25 2crp h GLN 79 Cb 0.12 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2crp h GLN 79 CO -0.16 -0.26 0.26 0.82 -0.67 0.00 0.00 178.83 178.83 2crp h ILE 80 N -0.40 0.84 0.06 2.54 2.04 -1.06 -1.69 117.51 119.84 2crp h ILE 80 Ca 0.08 -0.01 -0.18 0.00 1.00 0.00 0.00 64.86 65.74 2crp h ILE 80 Cb 0.52 0.79 0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2crp h ILE 80 CO -0.29 0.01 -0.75 0.22 0.00 0.00 0.00 178.15 177.34 2crp h TYR 81 N 0.04 0.64 0.00 1.37 5.03 -0.76 -0.07 116.97 123.23 2crp h TYR 81 Ca 0.17 -0.39 0.00 0.00 2.58 0.00 0.00 58.73 61.09 2crp h TYR 81 Cb 0.63 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.86 2crp h TYR 81 CO -0.00 1.24 0.00 0.39 -1.32 0.00 0.00 178.16 178.47 2crp n GLU 82 N -4.14 0.05 -0.09 1.82 1.02 0.12 0.23 120.64 119.66 2crp n GLU 82 Ca -0.12 0.28 -0.18 0.00 -0.02 0.00 0.00 57.16 57.12 2crp n GLU 82 Cb 0.76 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.43 0.40 -0.12 3.49 2.13 -0.74 -4.55 120.64 119.82 2crp n GLU 83 Ca 0.03 0.17 -0.21 0.00 0.66 0.00 0.00 57.16 57.82 2crp n GLU 83 Cb 0.11 -1.18 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 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 -3.93 0.00 0.99 4.31 3.72 -0.05 -3.60 117.46 118.90 2crp n PHE 84 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 2crp n PHE 84 Cb 0.68 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 0.72 -4.10 4.37 2.08 0.33 -4.07 119.36 114.37 2crp n ILE 85 Ca -0.37 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 62.67 2crp n ILE 85 Cb 0.73 -0.86 -0.06 0.00 -0.75 0.00 0.00 39.64 38.70 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 -0.27 2.80 0.25 0.38 0.74 0.64 -4.63 119.66 119.57 2crp s GLN 86 Ca 0.00 -0.90 -0.31 0.00 0.05 0.00 0.00 55.36 54.20 2crp s GLN 86 Cb 0.00 -2.60 -0.12 0.00 1.10 0.00 0.00 33.01 31.39 2crp s GLN 86 CO 0.00 0.48 1.60 2.41 -0.55 0.00 0.00 175.29 179.23 2crp n THR 87 N -0.25 0.64 -2.52 -0.34 -1.04 -1.26 -1.90 114.28 107.60 2crp n THR 87 Ca -0.09 -0.16 -0.04 0.00 -2.04 0.00 0.00 64.05 61.72 2crp n THR 87 Cb 0.55 -1.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.20 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 2.73 -2.61 -0.83 -2.82 0.28 -1.26 -4.81 120.64 111.33 2crp n GLU 88 Ca 0.12 0.01 -0.34 0.00 -0.16 0.00 0.00 57.16 56.80 2crp n GLU 88 Cb 0.34 -4.13 0.11 0.00 1.43 0.00 0.00 31.44 29.20 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 -2.43 -3.34 0.18 -1.84 0.00 -0.80 -4.88 120.51 107.40 2crp n ALA 89 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 53.44 52.78 2crp n ALA 89 Cb 0.45 -1.63 0.32 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.49 0.00 0.00 0.00 0.13 -1.88 -3.19 132.00 125.57 2crp h PRO 90 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2crp h PRO 90 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2crp h PRO 90 CO 0.32 0.44 -0.10 1.63 -0.23 0.00 0.00 178.00 180.06 2crp n LYS 91 N -3.85 1.22 -1.51 0.86 5.02 -1.24 -5.03 118.16 113.64 2crp n LYS 91 Ca -0.01 -1.97 -0.38 0.00 -2.02 0.00 0.00 58.31 53.93 2crp n LYS 91 Cb 0.49 -1.16 -0.14 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.92 0.15 -0.28 1.97 2.13 -1.21 -4.70 120.64 117.78 2crp n GLU 92 Ca 0.09 -0.02 -0.18 0.00 0.66 0.00 0.00 57.16 57.71 2crp n GLU 92 Cb 0.58 -1.75 0.18 0.00 0.27 0.00 0.00 31.44 30.72 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 7.38 0.00 -3.15 6.31 0.24 -1.26 -4.90 118.33 122.95 2crp n VAL 93 Ca 0.62 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 62.47 2crp n VAL 93 Cb 0.12 -0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.41 6.32 -0.20 -1.34 3.84 -1.26 -4.98 114.94 114.91 2crp s ASN 94 Ca 0.40 -1.74 -0.04 0.00 0.21 0.00 0.00 52.86 51.70 2crp s ASN 94 Cb -0.07 -2.29 0.10 0.00 -0.55 0.00 0.00 41.25 38.44 2crp s ASN 94 CO 0.34 -0.99 0.26 0.27 -2.79 0.00 0.00 177.10 174.18 2crp s ILE 95 N 2.16 -0.39 1.01 -5.21 -4.36 -1.26 -4.77 121.20 108.38 2crp s ILE 95 Ca 0.13 -0.04 -0.15 0.00 -0.26 0.00 0.00 60.65 60.33 2crp s ILE 95 Cb -0.21 -0.66 0.04 0.00 1.25 0.00 0.00 42.46 42.88 2crp s ILE 95 CO 0.02 -0.14 0.15 0.47 0.24 0.00 0.00 174.94 175.68 2crp n ASP 96 N 5.33 -2.46 -0.32 4.36 9.92 -1.26 -4.36 116.55 127.76 2crp n ASP 96 Ca -0.05 0.17 0.15 0.00 -0.53 0.00 0.00 54.79 54.52 2crp n ASP 96 Cb 0.50 -1.08 0.38 0.00 -0.64 0.00 0.00 41.12 40.28 2crp n ASP 96 CO 0.00 0.00 0.00 1.12 0.13 0.00 0.00 177.20 178.45 2crp h HIS 97 N -1.67 0.91 -0.01 1.24 2.07 -2.01 -0.81 115.15 114.86 2crp h HIS 97 Ca -0.47 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2crp h HIS 97 Cb 1.31 -0.28 -0.00 0.00 2.57 0.00 0.00 27.41 31.01 2crp h HIS 97 CO 0.29 0.22 -0.02 0.35 -3.07 0.00 0.00 177.93 175.70 2crp h PHE 98 N 0.66 -0.05 0.05 6.12 3.57 -2.00 0.28 116.94 125.57 2crp h PHE 98 Ca 0.54 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.04 2crp h PHE 98 Cb 0.98 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2crp h PHE 98 CO -0.00 -0.02 -0.02 1.15 -2.23 0.00 0.00 178.31 177.18 2crp h THR 99 N -0.02 0.97 -0.79 4.41 2.02 -1.82 -2.83 112.91 114.86 2crp h THR 99 Ca 0.00 -0.06 0.16 0.00 0.77 0.00 0.00 66.41 67.28 2crp h THR 99 Cb 0.02 1.01 -0.15 0.00 -1.74 0.00 0.00 68.15 67.29 2crp h THR 99 CO -0.02 0.02 -0.16 0.50 0.37 0.00 0.00 175.52 176.23 2crp h LYS 100 N -0.09 0.01 -0.39 6.66 3.11 -1.00 0.16 116.57 125.03 2crp h LYS 100 Ca -0.01 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.87 2crp h LYS 100 Cb 0.08 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.26 2crp h LYS 100 CO 0.01 0.01 0.15 -0.44 -2.81 0.00 0.00 179.45 176.37 2crp h ASP 101 N 0.01 0.19 -0.17 4.20 3.32 -0.24 -3.11 116.42 120.62 2crp h ASP 101 Ca 0.39 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.49 2crp h ASP 101 Cb 0.61 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2crp h ASP 101 CO -0.79 0.14 -0.13 0.40 -1.72 0.00 0.00 179.24 177.14 2crp h ILE 102 N 0.33 0.00 -0.97 0.35 1.08 -0.44 -0.78 117.51 117.08 2crp h ILE 102 Ca 0.18 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.81 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 -0.16 0.00 -0.32 0.41 -0.69 0.00 0.00 178.15 177.39 2crp n THR 103 N -3.43 -0.46 -0.26 -0.27 -1.04 -1.12 0.00 114.28 107.70 2crp n THR 103 Ca -0.00 2.24 -0.03 0.00 -2.04 0.00 0.00 64.05 64.22 2crp n THR 103 Cb 0.07 -3.02 0.03 0.00 -1.82 0.00 0.00 70.33 65.59 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 -0.10 0.00 -2.82 2.86 -1.11 1.02 114.93 114.79 2crp h MET 104 Ca 0.39 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 2crp h MET 104 Cb 0.63 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2crp h MET 104 CO -0.97 -0.06 -0.10 0.87 1.06 0.00 0.00 176.91 177.71 2crp h LYS 105 N -0.10 0.00 -0.06 1.72 1.57 -0.05 -0.36 116.57 119.29 2crp h LYS 105 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 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 -0.78 0.10 0.00 0.09 -0.57 0.00 0.00 179.45 178.29 2crp n ASN 106 N -3.76 0.87 -0.23 0.86 3.02 0.34 -3.39 115.26 112.98 2crp n ASN 106 Ca -0.02 -1.47 0.13 0.00 -0.03 0.00 0.00 54.58 53.19 2crp n ASN 106 Cb 0.20 -0.04 0.44 0.00 -0.61 0.00 0.00 39.78 39.77 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 -0.25 0.92 0.00 3.41 4.77 -0.14 -2.96 117.00 122.75 2crp n LEU 107 Ca 0.17 -0.21 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 2crp n LEU 107 Cb 0.22 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2crp n LEU 107 CO 0.14 0.17 0.20 0.58 -1.33 0.00 0.00 177.39 177.15 2crp h VAL 108 N 1.11 0.57 -1.50 4.08 2.07 -1.70 -3.40 116.25 117.48 2crp h VAL 108 Ca 0.00 -1.25 -0.54 0.00 0.82 0.00 0.00 66.70 65.73 2crp h VAL 108 Cb 0.47 1.03 -0.42 0.00 -1.52 0.00 0.00 31.29 30.86 2crp h VAL 108 CO 0.00 0.18 -0.83 -0.62 0.02 0.00 0.00 177.57 176.31 2crp n GLU 109 N -4.83 2.87 -2.23 1.57 1.02 -1.26 -5.08 120.64 112.71 2crp n GLU 109 Ca -0.05 -4.25 -0.41 0.00 -0.02 0.00 0.00 57.16 52.43 2crp n GLU 109 Cb 0.19 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 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 -3.42 4.40 0.07 3.49 0.04 -1.16 -4.92 135.00 133.51 2crp s PRO 110 Ca 0.44 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.52 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 -0.13 -0.22 0.00 0.43 0.04 0.00 0.00 177.00 177.12 2crp n SER 111 N 2.40 0.09 0.00 6.66 7.64 -1.26 -4.54 113.62 124.61 2crp n SER 111 Ca 0.05 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2crp n SER 111 Cb 0.43 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.81 0.39 -1.41 -3.43 4.77 -1.26 -4.81 117.00 108.45 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 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2crp n LEU 112 CO 0.00 -0.13 0.70 -1.20 -1.33 0.00 0.00 177.39 175.44 2crp n SER 113 N -2.23 3.58 -0.14 -1.43 7.64 -1.26 -4.38 113.62 115.40 2crp n SER 113 Ca 0.00 -2.64 -0.07 0.00 1.01 0.00 0.00 58.87 57.17 2crp n SER 113 Cb 0.14 -0.63 0.01 0.00 -1.01 0.00 0.00 64.21 62.72 2crp n SER 113 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2crp h SER 114 N 1.71 0.43 -0.82 6.43 4.64 -1.87 -2.59 113.55 121.48 2crp h SER 114 Ca 0.11 -0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.93 2crp h SER 114 Cb 1.55 -0.10 -0.27 0.00 -0.31 0.00 0.00 62.40 63.27 2crp h SER 114 CO 0.38 0.31 0.38 0.49 -0.87 0.00 0.00 176.83 177.52 2crp n PHE 115 N -4.83 2.64 0.36 4.77 3.72 -1.26 -4.69 117.46 118.17 2crp n PHE 115 Ca 0.02 -2.25 -0.17 0.00 -0.05 0.00 0.00 57.45 54.99 2crp n PHE 115 Cb 0.05 -0.94 -0.09 0.00 -0.94 0.00 0.00 39.48 37.56 2crp n PHE 115 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2crp h ASP 116 N 1.49 -0.77 0.80 4.37 3.58 -1.74 0.13 116.42 124.28 2crp h ASP 116 Ca 0.50 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.91 2crp h ASP 116 Cb 1.73 0.20 0.01 0.00 1.72 0.00 0.00 39.33 42.99 2crp h ASP 116 CO 1.07 -0.49 -0.38 -0.03 -2.88 0.00 0.00 179.24 176.53 2crp h MET 117 N -1.00 -1.03 -0.90 0.28 4.05 -1.84 -0.80 114.93 113.69 2crp h MET 117 Ca -0.09 0.07 0.21 0.00 -0.28 0.00 0.00 59.70 59.61 2crp h MET 117 Cb 0.72 0.24 -0.12 0.00 -0.80 0.00 0.00 31.60 31.64 2crp h MET 117 CO 0.15 -0.69 0.43 0.00 0.23 0.00 0.00 176.91 177.03 2crp h ALA 118 N -1.49 1.46 0.61 0.39 0.00 -1.87 0.59 119.26 118.95 2crp h ALA 118 Ca -0.11 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2crp h ALA 118 Cb 0.82 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2crp h ALA 118 CO 0.18 -0.28 -0.29 0.37 0.00 0.00 0.00 179.25 179.22 2crp h GLN 119 N 0.47 -0.79 0.00 0.00 4.15 -0.57 -1.56 115.11 116.81 2crp h GLN 119 Ca 0.55 0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.99 2crp h GLN 119 Cb 1.01 0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 2crp h GLN 119 CO -0.49 -0.51 -0.16 1.57 -1.93 0.00 0.00 178.83 177.31 2crp h LYS 120 N -0.87 0.00 0.41 1.69 2.10 -0.17 -1.25 116.57 118.48 2crp h LYS 120 Ca -0.08 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.55 2crp h LYS 120 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2crp h LYS 120 CO 0.14 0.16 -0.20 -0.09 -2.00 0.00 0.00 179.45 177.46 2crp h ARG 121 N 0.00 -0.53 -0.56 0.07 1.12 0.47 -1.69 114.38 113.26 2crp h ARG 121 Ca -0.00 0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.84 2crp h ARG 121 Cb 0.32 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.37 2crp h ARG 121 CO 0.02 -0.24 0.08 0.82 -3.11 0.00 0.00 179.97 177.54 2crp h ILE 122 N -0.79 1.26 -0.83 1.20 1.08 -1.15 -2.78 117.51 115.50 2crp h ILE 122 Ca -0.06 -0.98 0.07 0.00 -0.39 0.00 0.00 64.86 63.51 2crp h ILE 122 Cb 0.53 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 2crp h ILE 122 CO 0.09 0.36 0.54 -0.74 -0.69 0.00 0.00 178.15 177.71 2crp h HIS 123 N 0.82 0.91 0.00 1.37 2.76 -1.24 0.14 115.15 119.91 2crp h HIS 123 Ca 0.17 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2crp h HIS 123 Cb 0.42 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2crp h HIS 123 CO 0.03 0.47 0.00 0.00 -1.30 0.00 0.00 177.93 177.13 2crp h ALA 124 N 1.56 1.00 0.00 5.26 0.00 -1.03 -2.68 119.26 123.37 2crp h ALA 124 Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 2crp h ALA 124 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2crp h ALA 124 CO -0.14 0.00 -0.79 1.25 0.00 0.00 0.00 179.25 179.57 2crp h LEU 125 N 0.00 0.00 -0.03 0.00 5.85 -0.64 -3.09 115.31 117.41 2crp h LEU 125 Ca 0.00 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.04 2crp h LEU 125 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2crp h LEU 125 CO 0.00 1.31 0.00 0.23 -0.34 0.00 0.00 178.44 179.64 2crp n MET 126 N -4.50 0.00 -0.02 1.25 0.00 -0.41 0.15 117.12 113.59 2crp n MET 126 Ca -0.24 0.37 0.02 0.00 0.00 0.00 0.00 57.70 57.85 2crp n MET 126 Cb 0.61 -1.51 -0.14 0.00 0.00 0.00 0.00 33.22 32.18 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 -1.52 0.66 0.00 0.03 0.28 -1.01 0.43 120.64 119.51 2crp n GLU 127 Ca 0.02 -0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.03 2crp n GLU 127 Cb 0.09 -1.59 -0.01 0.00 1.43 0.00 0.00 31.44 31.36 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 -2.57 2.46 -0.00 3.44 -0.00 -0.57 -4.03 118.16 116.89 2crp n LYS 128 Ca -0.14 -0.48 -0.01 0.00 -0.00 0.00 0.00 58.31 57.68 2crp n LYS 128 Cb 0.81 -1.04 -0.00 0.00 -0.00 0.00 0.00 35.03 34.80 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 -0.44 0.48 -0.01 -5.58 2.03 0.40 -4.72 116.55 108.70 2crp n ASP 129 Ca 0.04 0.07 -0.06 0.00 0.52 0.00 0.00 54.79 55.36 2crp n ASP 129 Cb 0.19 -0.29 -0.05 0.00 -0.72 0.00 0.00 41.12 40.25 2crp n ASP 129 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2crp h SER 130 N -0.13 -0.09 -0.73 1.67 0.02 -1.64 -2.95 113.55 109.71 2crp h SER 130 Ca 0.00 -0.28 0.11 0.00 -0.84 0.00 0.00 61.79 60.79 2crp h SER 130 Cb 0.13 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 62.57 2crp h SER 130 CO 0.00 0.52 -0.28 -0.11 -1.14 0.00 0.00 176.83 175.82 2crp n LEU 131 N -4.81 -0.47 0.19 5.07 7.94 0.17 0.25 117.00 125.34 2crp n LEU 131 Ca -0.04 1.28 0.05 0.00 -1.11 0.00 0.00 56.01 56.18 2crp n LEU 131 Cb 0.18 -0.29 0.38 0.00 0.53 0.00 0.00 43.42 44.21 2crp n LEU 131 CO 0.14 -1.15 0.71 1.55 -1.11 0.00 0.00 177.39 177.53 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.70 -2.69 132.00 129.70 2crp h PRO 132 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2crp h PRO 132 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2crp h PRO 132 CO -0.73 0.37 -0.58 0.54 -0.23 0.00 0.00 178.00 177.38 2crp n ARG 133 N -3.76 0.18 0.06 0.86 1.74 0.70 -3.94 116.66 112.50 2crp n ARG 133 Ca -0.01 0.05 -0.22 0.00 -0.77 0.00 0.00 57.85 56.90 2crp n ARG 133 Cb 0.45 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.61 -0.37 -1.55 3.57 0.32 -3.29 116.94 116.23 2crp h PHE 134 Ca 0.00 -0.44 0.01 0.00 3.53 0.00 0.00 57.97 61.06 2crp h PHE 134 Cb 0.65 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2crp h PHE 134 CO 0.00 1.49 0.24 -0.39 -2.23 0.00 0.00 178.31 177.42 2crp h VAL 135 N -0.20 1.09 -0.07 1.41 -1.51 -1.64 -2.60 116.25 112.73 2crp h VAL 135 Ca -0.24 -0.17 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2crp h VAL 135 Cb 1.83 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2crp h VAL 135 CO 0.14 0.09 0.03 0.03 -1.23 0.00 0.00 177.57 176.63 2crp h ARG 136 N 0.49 0.10 -6.60 5.19 3.08 -1.68 -3.38 114.38 111.57 2crp h ARG 136 Ca 0.14 -0.02 -0.38 0.00 0.07 0.00 0.00 59.98 59.79 2crp h ARG 136 Cb -0.04 -0.02 0.20 0.00 0.08 0.00 0.00 29.97 30.20 2crp h ARG 136 CO -0.03 0.23 -0.64 -1.13 -1.07 0.00 0.00 179.97 177.33 2crp n SER 137 N -4.95 -2.71 -0.05 7.04 3.41 -0.98 -4.80 113.62 110.58 2crp n SER 137 Ca -0.06 -0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.10 2crp n SER 137 Cb 0.11 -0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 2crp n SER 137 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2crp h GLU 138 N -2.53 0.81 -0.80 4.33 4.81 -1.86 -3.18 114.58 116.16 2crp h GLU 138 Ca -0.46 -0.54 0.32 0.00 -0.13 0.00 0.00 59.36 58.55 2crp h GLU 138 Cb 1.21 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.52 2crp h GLU 138 CO 0.32 1.17 0.39 1.19 -0.73 0.00 0.00 179.01 181.35 2crp n PHE 139 N -3.98 0.89 -0.07 0.92 3.72 -1.26 -0.14 117.46 117.53 2crp n PHE 139 Ca -0.05 0.94 -0.12 0.00 -0.05 0.00 0.00 57.45 58.17 2crp n PHE 139 Cb 0.65 -1.33 -0.09 0.00 -0.94 0.00 0.00 39.48 37.77 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 0.00 -1.32 1.38 3.20 -1.71 -3.17 116.97 115.35 2crp h TYR 140 Ca 0.66 0.00 0.39 0.00 3.14 0.00 0.00 58.73 62.91 2crp h TYR 140 Cb 1.71 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.90 2crp h TYR 140 CO -0.05 0.82 0.91 1.96 -1.64 0.00 0.00 178.16 180.16 2crp h GLN 141 N -1.00 0.10 0.00 1.82 1.08 -0.52 1.41 115.11 118.01 2crp h GLN 141 Ca -0.08 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 56.95 2crp h GLN 141 Cb 0.82 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 2crp h GLN 141 CO -0.05 0.07 -0.82 1.05 -0.95 0.00 0.00 178.83 178.13 2crp h GLU 142 N 0.11 0.00 -0.31 1.46 4.11 -0.82 0.40 114.58 119.53 2crp h GLU 142 Ca 0.70 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 60.01 2crp h GLU 142 Cb 2.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.67 2crp h GLU 142 CO -0.17 0.82 -0.29 -0.07 0.07 0.00 0.00 179.01 179.38 2crp h LEU 143 N 0.00 0.66 0.02 3.06 3.38 0.19 0.31 115.31 122.93 2crp h LEU 143 Ca -0.01 -0.25 -0.40 0.00 0.09 0.00 0.00 57.88 57.32 2crp h LEU 143 Cb 1.62 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.13 2crp h LEU 143 CO 0.11 0.91 -2.36 2.30 0.09 0.00 0.00 178.44 179.48 2crp n ILE 144 N -4.09 1.54 -0.07 1.22 -5.35 -0.75 -4.63 119.36 107.24 2crp n ILE 144 Ca -0.01 -0.51 -0.14 0.00 -0.27 0.00 0.00 62.75 61.82 2crp n ILE 144 Cb 0.45 -1.60 -0.13 0.00 -1.74 0.00 0.00 39.64 36.62 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 -0.27 0.00 0.00 7.28 0.87 -0.30 -3.47 113.55 117.66 2crp h SER 145 Ca -0.57 -0.98 0.00 0.00 -1.23 0.00 0.00 61.79 59.00 2crp h SER 145 Cb 1.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2crp h SER 145 CO -0.15 1.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 2crp n GLY 146 N 1.61 0.84 3.77 5.77 0.00 0.11 -4.00 105.19 113.29 2crp n GLY 146 Ca -0.10 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 3.33 -1.20 1.61 0.04 -1.26 -3.63 135.00 133.89 2crp s PRO 147 Ca 0.00 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 2crp s PRO 147 Cb 0.00 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2crp s PRO 147 CO 0.00 -0.86 1.04 0.45 0.04 0.00 0.00 177.00 177.67 2crp n SER 148 N -1.35 -4.96 -3.77 6.66 2.88 -1.26 -4.99 113.62 106.83 2crp n SER 148 Ca 0.12 -0.51 -0.30 0.00 -1.33 0.00 0.00 58.87 56.84 2crp n SER 148 Cb 0.51 -4.67 0.25 0.00 -0.75 0.00 0.00 64.21 59.56 2crp n SER 148 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2crp s SER 149 N -3.55 0.30 0.00 -3.46 1.04 -1.24 -5.11 113.70 101.69 2crp s SER 149 Ca 0.39 0.78 0.26 0.00 0.48 0.00 0.00 55.95 57.87 2crp s SER 149 Cb -0.17 -1.12 0.60 0.00 0.10 0.00 0.00 66.02 65.43 2crp s SER 149 CO 0.67 -4.52 1.49 0.61 0.98 0.00 0.00 173.24 172.47