#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 1.72 -0.27 1.61 0.15 -1.26 -5.12 113.70 110.54 2crp s SER 2 Ca 0.00 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.40 2crp s SER 2 Cb 0.00 -0.34 0.07 0.00 -1.71 0.00 0.00 66.02 64.04 2crp s SER 2 CO 0.00 0.15 -0.06 -0.55 1.20 0.00 0.00 173.24 173.98 2crp s SER 3 N -0.11 4.29 0.00 5.45 0.15 -1.26 -5.06 113.70 117.17 2crp s SER 3 Ca 0.01 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.20 2crp s SER 3 Cb -0.08 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2crp s SER 3 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2crp n GLY 4 N 4.49 -3.93 3.17 9.45 0.00 -1.26 -4.95 105.19 112.17 2crp n GLY 4 Ca -0.10 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 2crp n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crp s SER 5 N -0.61 3.80 -0.35 1.61 0.01 -1.26 -5.09 113.70 111.81 2crp s SER 5 Ca 0.00 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 56.48 2crp s SER 5 Cb 0.00 -1.58 0.06 0.00 0.21 0.00 0.00 66.02 64.70 2crp s SER 5 CO 0.00 -0.06 0.11 -0.55 0.41 0.00 0.00 173.24 173.15 2crp s SER 6 N 1.32 5.23 0.00 2.44 0.15 -1.26 -4.80 113.70 116.78 2crp s SER 6 Ca 0.02 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.32 2crp s SER 6 Cb -0.15 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 2crp s SER 6 CO -0.08 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2crp n GLY 7 N 4.74 2.01 3.77 9.45 0.00 -1.26 -5.09 105.19 118.80 2crp n GLY 7 Ca -0.11 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 2crp n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crp s PRO 8 N 0.00 2.20 0.75 1.61 0.04 -1.26 -5.05 135.00 133.29 2crp s PRO 8 Ca 0.00 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.10 2crp s PRO 8 Cb 0.00 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.71 2crp s PRO 8 CO 0.00 -1.68 1.09 -1.83 0.04 0.00 0.00 177.00 174.62 2crp s GLU 9 N -4.91 2.16 0.90 4.56 1.03 -1.26 -4.98 118.70 116.20 2crp s GLU 9 Ca 0.61 -0.03 -0.15 0.00 0.03 0.00 0.00 54.97 55.43 2crp s GLU 9 Cb -0.17 -2.06 -0.03 0.00 -0.80 0.00 0.00 34.13 31.06 2crp s GLU 9 CO 0.56 -1.37 0.10 1.63 -1.33 0.00 0.00 175.26 174.84 2crp n LYS 10 N -3.10 -0.08 -2.06 -4.83 4.01 -1.26 -4.75 118.16 106.09 2crp n LYS 10 Ca 0.08 0.01 -0.27 0.00 -0.51 0.00 0.00 58.31 57.61 2crp n LYS 10 Cb 0.60 -1.59 -0.06 0.00 -0.51 0.00 0.00 35.03 33.47 2crp n LYS 10 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2crp s PRO 11 N -2.93 2.53 0.41 1.97 0.04 -1.26 -4.94 135.00 130.82 2crp s PRO 11 Ca 0.54 -0.69 -0.00 0.00 0.04 0.00 0.00 61.00 60.89 2crp s PRO 11 Cb -0.24 -5.14 0.08 0.00 0.04 0.00 0.00 34.50 29.23 2crp s PRO 11 CO 0.69 -3.66 0.56 0.00 0.04 0.00 0.00 177.00 174.64 2crp n ALA 12 N 14.17 0.12 -0.85 8.56 0.00 -1.26 -4.96 120.51 136.30 2crp n ALA 12 Ca 0.42 -1.10 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 2crp n ALA 12 Cb 0.47 0.18 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.03 1.63 -3.53 0.00 2.85 -1.26 -4.90 118.16 110.92 2crp n LYS 13 Ca 0.09 -1.02 -0.36 0.00 -1.05 0.00 0.00 58.31 55.97 2crp n LYS 13 Cb 0.33 -1.53 -0.06 0.00 -0.65 0.00 0.00 35.03 33.13 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 -0.95 5.05 -0.42 0.58 -1.32 -1.26 -5.00 115.64 112.31 2crp s THR 14 Ca 0.29 0.67 0.04 0.00 -1.21 0.00 0.00 61.69 61.48 2crp s THR 14 Cb 0.19 -3.68 0.46 0.00 -1.51 0.00 0.00 72.50 67.95 2crp s THR 14 CO -0.03 0.43 1.48 0.00 -2.21 0.00 0.00 174.62 174.30 2crp n GLN 15 N 1.36 3.30 -4.12 7.08 0.00 -1.26 -4.93 117.38 118.80 2crp n GLN 15 Ca -0.11 -3.87 -0.23 0.00 0.00 0.00 0.00 57.00 52.80 2crp n GLN 15 Cb 0.52 -2.28 -0.06 0.00 0.00 0.00 0.00 30.24 28.42 2crp n GLN 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2crp s LYS 16 N -3.68 2.46 -0.04 2.61 1.02 -1.26 -4.85 119.74 116.00 2crp s LYS 16 Ca 0.56 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 2crp s LYS 16 Cb 0.44 -2.25 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 2crp s LYS 16 CO 0.02 0.21 0.07 0.99 -0.92 0.00 0.00 175.35 175.72 2crp s THR 17 N -2.35 -0.06 0.46 2.17 2.01 -1.26 -4.87 115.64 111.74 2crp s THR 17 Ca 0.36 0.20 -0.13 0.00 0.31 0.00 0.00 61.69 62.43 2crp s THR 17 Cb -0.04 -0.14 -0.07 0.00 0.01 0.00 0.00 72.50 72.25 2crp s THR 17 CO 0.23 0.08 0.87 -0.55 -0.69 0.00 0.00 174.62 174.56 2crp s SER 18 N 1.10 6.57 0.08 3.53 0.15 -1.26 -4.89 113.70 118.99 2crp s SER 18 Ca -0.09 1.34 -0.35 0.00 0.70 0.00 0.00 55.95 57.55 2crp s SER 18 Cb -0.12 -2.41 -0.17 0.00 -1.71 0.00 0.00 66.02 61.60 2crp s SER 18 CO -0.04 -0.49 1.55 0.25 1.20 0.00 0.00 173.24 175.71 2crp h LEU 19 N 1.11 -1.35 -1.02 3.45 7.12 -1.92 0.35 115.31 123.06 2crp h LEU 19 Ca -0.47 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.64 2crp h LEU 19 Cb 1.19 0.44 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 2crp h LEU 19 CO 0.63 -0.68 0.19 0.47 -0.13 0.00 0.00 178.44 178.93 2crp n ASP 20 N -5.49 0.40 -0.07 1.25 8.00 -1.26 -2.02 116.55 117.37 2crp n ASP 20 Ca -0.12 0.62 -0.04 0.00 0.71 0.00 0.00 54.79 55.95 2crp n ASP 20 Cb 0.46 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.45 -1.24 4.81 -1.42 -3.31 114.58 111.97 2crp h GLU 21 Ca 0.00 0.00 0.48 0.00 -0.13 0.00 0.00 59.36 59.71 2crp h GLU 21 Cb 0.39 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.64 2crp h GLU 21 CO 0.00 0.09 0.95 0.00 -0.73 0.00 0.00 179.01 179.33 2crp h ALA 22 N -0.94 2.96 -0.31 2.92 0.00 -0.39 1.67 119.26 125.17 2crp h ALA 22 Ca -0.02 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2crp h ALA 22 Cb 0.41 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2crp h ALA 22 CO -0.01 -1.62 -0.41 -0.07 0.00 0.00 0.00 179.25 177.13 2crp h LEU 23 N 0.02 0.81 -2.31 0.00 3.38 -1.68 -2.80 115.31 112.73 2crp h LEU 23 Ca 0.88 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 58.50 2crp h LEU 23 Cb 2.91 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 43.43 2crp h LEU 23 CO -0.39 1.12 0.22 1.56 0.09 0.00 0.00 178.44 181.04 2crp h GLN 24 N 0.62 0.00 0.00 1.13 4.20 0.24 0.30 115.11 121.60 2crp h GLN 24 Ca 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2crp h GLN 24 Cb 0.97 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 2crp h GLN 24 CO 0.09 0.00 -0.08 -1.49 -0.67 0.00 0.00 178.83 176.68 2crp h TRP 25 N 0.00 0.00 0.14 2.96 6.55 -1.39 -3.08 115.95 121.13 2crp h TRP 25 Ca 0.04 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.62 2crp h TRP 25 Cb 0.49 0.00 0.03 0.00 -0.86 0.00 0.00 29.16 28.81 2crp h TRP 25 CO 0.00 0.08 -1.11 0.00 -1.05 0.00 0.00 178.44 176.36 2crp h ARG 26 N 0.00 0.51 0.36 0.49 3.08 -0.54 -3.34 114.38 114.93 2crp h ARG 26 Ca -0.00 -0.73 -0.00 0.00 0.07 0.00 0.00 59.98 59.32 2crp h ARG 26 Cb 0.63 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2crp h ARG 26 CO 0.01 1.33 -0.42 -0.44 -1.07 0.00 0.00 179.97 179.38 2crp h ASP 27 N 0.05 -1.16 -3.30 7.04 3.32 -1.55 -3.42 116.42 117.40 2crp h ASP 27 Ca -0.18 0.10 -0.44 0.00 0.02 0.00 0.00 57.03 56.53 2crp h ASP 27 Cb 1.83 0.40 -0.37 0.00 0.22 0.00 0.00 39.33 41.41 2crp h ASP 27 CO 0.21 -0.55 -0.77 -0.55 -1.72 0.00 0.00 179.24 175.85 2crp s SER 28 N -4.55 1.50 0.28 6.45 0.15 -1.21 -5.03 113.70 111.30 2crp s SER 28 Ca -0.17 -0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2crp s SER 28 Cb 0.06 -0.51 0.64 0.00 -1.71 0.00 0.00 66.02 64.50 2crp s SER 28 CO 0.62 -0.14 1.63 0.25 1.20 0.00 0.00 173.24 176.80 2crp h LEU 29 N 7.98 -0.21 -0.47 3.45 5.85 -1.82 -1.85 115.31 128.24 2crp h LEU 29 Ca -0.26 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2crp h LEU 29 Cb 1.13 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 2crp h LEU 29 CO 0.34 -0.21 -0.28 -0.67 -0.34 0.00 0.00 178.44 177.28 2crp n ASP 30 N -5.32 -0.50 -0.26 1.25 2.03 -1.26 0.90 116.55 113.39 2crp n ASP 30 Ca 0.19 1.20 0.17 0.00 0.52 0.00 0.00 54.79 56.88 2crp n ASP 30 Cb 0.64 -0.29 0.32 0.00 -0.72 0.00 0.00 41.12 41.07 2crp n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2crp n LYS 31 N -4.08 -0.06 0.17 -0.67 4.76 -0.69 -0.21 118.16 117.37 2crp n LYS 31 Ca 0.01 1.12 -0.07 0.00 -2.87 0.00 0.00 58.31 56.50 2crp n LYS 31 Cb 0.12 -1.87 -0.03 0.00 -1.84 0.00 0.00 35.03 31.41 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 -0.36 -0.74 -0.35 5.85 0.40 -1.46 115.31 118.65 2crp h LEU 32 Ca 0.55 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.45 2crp h LEU 32 Cb 1.28 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.28 2crp h LEU 32 CO -0.67 -0.23 0.10 -0.07 -0.34 0.00 0.00 178.44 177.22 2crp h LEU 33 N -0.47 -0.16 -0.65 2.25 3.38 -0.49 0.10 115.31 119.27 2crp h LEU 33 Ca -0.04 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2crp h LEU 33 Cb 0.33 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 2crp h LEU 33 CO 0.07 -0.11 0.32 1.56 0.09 0.00 0.00 178.44 180.37 2crp h GLN 34 N 0.18 0.56 -6.43 1.13 4.20 -0.59 -3.40 115.11 110.75 2crp h GLN 34 Ca 0.42 -0.03 -0.54 0.00 0.06 0.00 0.00 58.65 58.56 2crp h GLN 34 Cb 0.74 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2crp h GLN 34 CO -0.59 0.37 0.70 1.21 -0.67 0.00 0.00 178.83 179.85 2crp s ASN 35 N -5.51 6.96 0.17 1.46 3.84 0.32 -4.93 114.94 117.25 2crp s ASN 35 Ca -0.13 2.07 -0.14 0.00 0.21 0.00 0.00 52.86 54.87 2crp s ASN 35 Cb 0.17 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.37 2crp s ASN 35 CO 0.75 -0.60 1.81 -0.55 -2.79 0.00 0.00 177.10 175.72 2crp h ASN 36 N 7.22 0.46 0.43 -4.21 -1.07 -1.80 0.25 115.58 116.86 2crp h ASN 36 Ca -0.39 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.96 2crp h ASN 36 Cb 1.19 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 2crp h ASN 36 CO 0.86 0.32 -0.21 0.22 0.07 0.00 0.00 177.43 178.70 2crp h TYR 37 N 0.57 -0.54 -0.32 4.14 3.20 -1.89 -1.39 116.97 120.74 2crp h TYR 37 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2crp h TYR 37 Cb 0.02 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2crp h TYR 37 CO -0.07 -0.30 0.20 0.78 -1.64 0.00 0.00 178.16 177.13 2crp h GLY 38 N -0.63 0.46 0.44 1.82 0.00 -1.73 -2.81 103.07 100.61 2crp h GLY 38 Ca -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2crp h GLY 38 CO 0.10 0.17 -0.43 -2.00 0.00 0.00 0.00 176.54 174.38 2crp h LEU 39 N 0.42 -1.18 -0.85 3.11 5.85 -0.21 0.29 115.31 122.74 2crp h LEU 39 Ca 0.12 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2crp h LEU 39 Cb -0.02 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 41.28 2crp h LEU 39 CO -0.02 -0.57 -0.57 0.00 -0.34 0.00 0.00 178.44 176.94 2crp h ALA 40 N -1.05 -0.58 -0.39 1.25 0.00 -1.24 0.10 119.26 117.36 2crp h ALA 40 Ca -0.06 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2crp h ALA 40 Cb 0.75 1.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 2crp h ALA 40 CO -0.05 -0.96 0.19 1.03 0.00 0.00 0.00 179.25 179.46 2crp h SER 41 N -0.08 0.27 -0.71 0.00 0.87 -1.38 -2.39 113.55 110.14 2crp h SER 41 Ca 0.14 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 60.87 2crp h SER 41 Cb 0.44 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.26 2crp h SER 41 CO -0.84 0.20 0.13 0.15 -0.53 0.00 0.00 176.83 175.94 2crp h PHE 42 N 0.39 0.19 0.66 2.24 3.57 0.19 -1.83 116.94 122.34 2crp h PHE 42 Ca 0.17 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2crp h PHE 42 Cb 0.08 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2crp h PHE 42 CO -0.10 -0.11 -0.37 0.87 -2.23 0.00 0.00 178.31 176.37 2crp h LYS 43 N 0.23 -0.91 -0.99 1.11 1.57 -0.44 -2.52 116.57 114.62 2crp h LYS 43 Ca 0.39 0.06 0.35 0.00 -1.87 0.00 0.00 60.65 59.59 2crp h LYS 43 Cb 0.66 0.21 -0.17 0.00 0.08 0.00 0.00 32.23 33.01 2crp h LYS 43 CO -0.52 -0.61 0.42 1.03 -0.57 0.00 0.00 179.45 179.21 2crp h SER 44 N -0.95 0.18 -0.04 0.86 0.87 -1.14 0.48 113.55 113.82 2crp h SER 44 Ca -0.09 0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2crp h SER 44 Cb 0.74 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2crp h SER 44 CO 0.11 -0.33 -0.00 0.15 -0.53 0.00 0.00 176.83 176.24 2crp h PHE 45 N 0.09 -0.00 -0.54 2.24 3.04 -1.04 -2.68 116.94 118.05 2crp h PHE 45 Ca 0.75 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.78 2crp h PHE 45 Cb 1.82 0.01 -0.06 0.00 2.56 0.00 0.00 35.95 40.28 2crp h PHE 45 CO -0.13 -0.00 0.21 -0.07 -2.02 0.00 0.00 178.31 176.30 2crp h LEU 46 N 0.01 0.23 -0.29 0.59 3.38 0.36 -1.80 115.31 117.79 2crp h LEU 46 Ca 0.02 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2crp h LEU 46 Cb 0.02 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 2crp h LEU 46 CO -0.03 0.15 -0.22 0.11 0.09 0.00 0.00 178.44 178.54 2crp h LYS 47 N 0.40 -0.19 -0.10 1.13 1.57 -1.09 1.30 116.57 119.60 2crp h LYS 47 Ca 0.26 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2crp h LYS 47 Cb 0.28 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2crp h LYS 47 CO -0.25 -0.13 0.04 1.03 -0.57 0.00 0.00 179.45 179.57 2crp h SER 48 N -0.20 0.11 0.73 0.86 0.87 -1.11 -0.40 113.55 114.41 2crp h SER 48 Ca 0.15 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2crp h SER 48 Cb 0.44 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2crp h SER 48 CO -0.41 0.11 -0.56 -0.62 -0.53 0.00 0.00 176.83 174.82 2crp n GLU 49 N -4.50 0.17 -2.53 2.24 -0.58 0.14 -4.95 120.64 110.64 2crp n GLU 49 Ca -0.02 0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.68 2crp n GLU 49 Cb 0.10 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 -0.75 -2.36 -0.32 3.72 0.43 -4.95 117.46 111.37 2crp n PHE 50 Ca 0.04 0.19 -0.06 0.00 -0.05 0.00 0.00 57.45 57.57 2crp n PHE 50 Cb 0.40 -2.39 0.06 0.00 -0.94 0.00 0.00 39.48 36.60 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 0.07 2.58 0.20 4.37 7.64 -0.06 -4.80 113.62 123.62 2crp n SER 51 Ca -0.05 -2.83 0.09 0.00 1.01 0.00 0.00 58.87 57.09 2crp n SER 51 Cb 0.55 -0.41 0.26 0.00 -1.01 0.00 0.00 64.21 63.60 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 2.00 0.00 -0.47 1.43 4.81 -1.90 -3.18 114.58 117.26 2crp h GLU 52 Ca 0.03 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2crp h GLU 52 Cb 1.42 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 2crp h GLU 52 CO 0.33 0.22 0.32 1.05 -0.73 0.00 0.00 179.01 180.19 2crp h GLU 53 N 0.00 0.32 0.24 1.92 4.11 -1.87 -1.60 114.58 117.71 2crp h GLU 53 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2crp h GLU 53 Cb 0.99 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2crp h GLU 53 CO 0.03 0.21 -0.13 -0.91 0.07 0.00 0.00 179.01 178.28 2crp h ASN 54 N 0.33 -0.31 -0.25 3.06 4.21 -1.83 -2.79 115.58 118.01 2crp h ASN 54 Ca 0.21 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.72 2crp h ASN 54 Cb 0.41 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2crp h ASN 54 CO -0.05 -0.21 0.08 0.25 -1.29 0.00 0.00 177.43 176.21 2crp h LEU 55 N -0.34 0.35 -0.84 1.61 6.46 -1.61 -3.16 115.31 117.77 2crp h LEU 55 Ca -0.03 -0.19 0.10 0.00 -0.12 0.00 0.00 57.88 57.64 2crp h LEU 55 Cb 0.27 -0.09 -0.12 0.00 -0.73 0.00 0.00 40.66 39.99 2crp h LEU 55 CO 0.04 0.45 -0.50 -0.33 -0.62 0.00 0.00 178.44 177.48 2crp h GLU 56 N 0.23 -0.09 -1.03 1.25 4.39 -1.20 0.82 114.58 118.95 2crp h GLU 56 Ca 0.08 0.01 0.26 0.00 0.34 0.00 0.00 59.36 60.05 2crp h GLU 56 Cb 0.22 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 2crp h GLU 56 CO -0.00 -0.06 0.67 0.35 -1.16 0.00 0.00 179.01 178.80 2crp h PHE 57 N -0.09 0.65 0.57 4.33 3.57 -1.46 -0.75 116.94 123.75 2crp h PHE 57 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2crp h PHE 57 Cb 0.51 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.07 2crp h PHE 57 CO -0.89 0.07 -0.27 2.35 -2.23 0.00 0.00 178.31 177.34 2crp h TRP 58 N 0.40 -0.71 -0.76 0.41 7.01 0.59 -1.40 115.95 121.49 2crp h TRP 58 Ca 0.58 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.74 2crp h TRP 58 Cb 1.48 0.23 -0.12 0.00 -2.10 0.00 0.00 29.16 28.65 2crp h TRP 58 CO -0.00 -0.44 0.11 0.82 -2.79 0.00 0.00 178.44 176.14 2crp h ILE 59 N -1.14 0.42 -0.27 2.65 2.04 -0.46 -0.02 117.51 120.72 2crp h ILE 59 Ca -0.08 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2crp h ILE 59 Cb 0.58 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2crp h ILE 59 CO 0.13 0.03 0.13 0.00 0.00 0.00 0.00 178.15 178.44 2crp h ALA 60 N 1.67 0.35 -0.02 1.87 0.00 -1.21 -1.22 119.26 120.70 2crp h ALA 60 Ca 0.43 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2crp h ALA 60 Cb 0.77 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2crp h ALA 60 CO -0.59 -0.09 -0.36 0.00 0.00 0.00 0.00 179.25 178.20 2crp h GLU 62 N -0.50 0.92 -0.17 0.00 4.39 -1.24 -1.78 114.58 116.19 2crp h GLU 62 Ca 0.06 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2crp h GLU 62 Cb 0.60 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2crp h GLU 62 CO -0.31 0.61 -0.43 0.22 -1.16 0.00 0.00 179.01 177.95 2crp h ASP 63 N 0.95 0.42 -0.35 1.42 1.82 -0.11 -2.98 116.42 117.58 2crp h ASP 63 Ca 0.26 -0.19 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 2crp h ASP 63 Cb -0.11 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 2crp h ASP 63 CO -0.05 0.80 0.01 0.22 -1.61 0.00 0.00 179.24 178.60 2crp h TYR 64 N 0.32 0.74 -0.01 0.28 5.03 0.11 -2.33 116.97 121.11 2crp h TYR 64 Ca 0.03 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 2crp h TYR 64 Cb 0.89 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.96 2crp h TYR 64 CO 0.03 0.69 -0.07 0.87 -1.32 0.00 0.00 178.16 178.36 2crp h LYS 65 N 0.67 0.01 0.00 1.82 1.57 -1.31 -0.43 116.57 118.90 2crp h LYS 65 Ca 0.14 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2crp h LYS 65 Cb 0.40 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2crp h LYS 65 CO 0.01 0.08 0.00 1.63 -0.57 0.00 0.00 179.45 180.61 2crp n LYS 66 N -4.45 0.28 -3.15 3.15 5.02 -0.87 -4.66 118.16 113.48 2crp n LYS 66 Ca -0.03 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 2crp n LYS 66 Cb 0.15 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.26 5.09 -0.04 -0.18 1.01 -0.17 -4.93 121.20 119.71 2crp s ILE 67 Ca 0.15 1.26 0.07 0.00 0.00 0.00 0.00 60.65 62.13 2crp s ILE 67 Cb 0.08 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.50 2crp s ILE 67 CO 0.16 0.29 0.09 2.29 0.00 0.00 0.00 174.94 177.77 2crp n LYS 68 N 3.67 1.61 -1.65 2.79 0.00 -1.26 -4.85 118.16 118.47 2crp n LYS 68 Ca -0.04 -0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 57.81 2crp n LYS 68 Cb 0.51 -1.17 -0.01 0.00 -0.00 0.00 0.00 35.03 34.36 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 -2.01 2.13 0.15 -5.58 7.64 -1.26 -4.86 113.62 109.84 2crp n SER 69 Ca -0.06 1.19 0.13 0.00 1.01 0.00 0.00 58.87 61.14 2crp n SER 69 Cb 0.47 -1.40 0.53 0.00 -1.01 0.00 0.00 64.21 62.79 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 2.36 0.00 0.00 1.43 0.13 -2.00 -2.55 132.00 131.38 2crp h PRO 70 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2crp h PRO 70 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2crp h PRO 70 CO 0.62 0.00 -0.86 0.00 -0.23 0.00 0.00 178.00 177.53 2crp n ALA 71 N -1.82 0.76 -0.34 -0.56 0.00 -1.26 -4.27 120.51 113.02 2crp n ALA 71 Ca 0.02 -0.73 0.15 0.00 0.00 0.00 0.00 53.44 52.88 2crp n ALA 71 Cb 0.23 0.03 0.35 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.91 0.60 -0.57 0.00 1.63 -1.96 0.57 116.57 115.92 2crp h LYS 72 Ca 0.00 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 2crp h LYS 72 Cb 0.86 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 2crp h LYS 72 CO 0.00 0.39 0.38 0.52 -3.45 0.00 0.00 179.45 177.30 2crp h MET 73 N 0.61 0.44 0.00 1.90 2.86 -1.69 0.37 114.93 119.42 2crp h MET 73 Ca 0.61 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 58.05 2crp h MET 73 Cb 1.09 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 2crp h MET 73 CO -0.45 0.29 -1.09 0.00 1.06 0.00 0.00 176.91 176.72 2crp n ALA 74 N -2.51 0.70 0.36 6.32 0.00 0.14 -3.75 120.51 121.77 2crp n ALA 74 Ca 0.09 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 2crp n ALA 74 Cb 0.31 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.96 -1.01 0.00 5.08 -0.05 -2.17 114.58 114.47 2crp h GLU 75 Ca -0.26 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.44 2crp h GLU 75 Cb 1.08 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 2crp h GLU 75 CO -0.16 -0.64 0.69 -0.22 -1.00 0.00 0.00 179.01 177.68 2crp h LYS 76 N -1.00 0.20 -0.58 2.33 1.63 -0.46 0.12 116.57 118.82 2crp h LYS 76 Ca -0.08 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2crp h LYS 76 Cb 0.81 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.36 2crp h LYS 76 CO 0.07 0.13 0.35 0.00 -3.45 0.00 0.00 179.45 176.56 2crp h ALA 77 N 1.55 0.75 -0.33 5.00 0.00 -1.48 -2.41 119.26 122.33 2crp h ALA 77 Ca 0.52 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 2crp h ALA 77 Cb 1.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2crp h ALA 77 CO -0.13 0.09 -0.36 1.57 0.00 0.00 0.00 179.25 180.41 2crp h LYS 78 N 0.70 0.77 -0.30 0.00 2.10 -0.63 -2.95 116.57 116.27 2crp h LYS 78 Ca 0.23 -0.38 0.06 0.00 -2.00 0.00 0.00 60.65 58.56 2crp h LYS 78 Cb 0.01 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.28 2crp h LYS 78 CO -0.09 1.01 -0.13 1.96 -2.00 0.00 0.00 179.45 180.20 2crp h GLN 79 N 0.64 -0.07 0.00 0.07 4.20 -0.95 0.39 115.11 119.38 2crp h GLN 79 Ca 0.06 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 2crp h GLN 79 Cb 0.91 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2crp h GLN 79 CO 0.08 -0.05 -0.18 0.82 -0.67 0.00 0.00 178.83 178.83 2crp h ILE 80 N -0.08 1.04 -0.03 2.54 2.04 -1.45 -2.65 117.51 118.92 2crp h ILE 80 Ca 0.15 -0.65 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 2crp h ILE 80 Cb 0.31 1.36 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2crp h ILE 80 CO -0.35 0.18 -0.39 0.22 0.00 0.00 0.00 178.15 177.81 2crp h TYR 81 N 0.00 0.45 0.00 1.37 5.03 -0.85 0.42 116.97 123.38 2crp h TYR 81 Ca -0.00 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.08 2crp h TYR 81 Cb 0.34 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2crp h TYR 81 CO 0.00 1.01 0.00 0.39 -1.32 0.00 0.00 178.16 178.24 2crp n GLU 82 N -4.38 0.04 -0.09 1.82 -0.58 0.12 0.22 120.64 117.79 2crp n GLU 82 Ca -0.09 0.30 -0.17 0.00 -0.42 0.00 0.00 57.16 56.77 2crp n GLU 82 Cb 0.56 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 2crp n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2crp n GLU 83 N -1.43 0.43 -0.12 3.49 2.13 -1.02 -4.54 120.64 119.59 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 0.09 -1.24 -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 -4.04 0.00 0.96 4.31 3.72 0.13 -3.73 117.46 118.80 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 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 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 -4.33 0.57 -4.06 4.37 2.08 0.52 -4.07 119.36 114.44 2crp n ILE 85 Ca -0.40 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 62.63 2crp n ILE 85 Cb 0.76 -0.78 -0.06 0.00 -0.75 0.00 0.00 39.64 38.81 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 -0.38 2.91 0.24 0.38 0.74 0.59 -4.64 119.66 119.51 2crp s GLN 86 Ca 0.00 -0.79 -0.31 0.00 0.05 0.00 0.00 55.36 54.31 2crp s GLN 86 Cb 0.00 -2.69 -0.12 0.00 1.10 0.00 0.00 33.01 31.30 2crp s GLN 86 CO 0.00 0.52 1.62 2.41 -0.55 0.00 0.00 175.29 179.29 2crp n THR 87 N -0.03 0.55 -2.92 -0.34 -1.04 -1.26 -1.87 114.28 107.37 2crp n THR 87 Ca -0.08 -0.14 -0.09 0.00 -2.04 0.00 0.00 64.05 61.70 2crp n THR 87 Cb 0.53 -1.87 -0.02 0.00 -1.82 0.00 0.00 70.33 67.15 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 2.90 -2.54 -0.75 -2.82 0.28 -1.26 -4.83 120.64 111.62 2crp n GLU 88 Ca 0.12 0.05 -0.33 0.00 -0.16 0.00 0.00 57.16 56.85 2crp n GLU 88 Cb 0.35 -4.58 0.14 0.00 1.43 0.00 0.00 31.44 28.78 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 -2.82 -2.95 0.09 -1.84 0.00 -0.78 -4.90 120.51 107.30 2crp n ALA 89 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 53.44 52.63 2crp n ALA 89 Cb 0.49 -1.74 0.19 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.73 0.26 0.00 0.00 0.13 -1.88 -3.23 132.00 125.54 2crp h PRO 90 Ca -0.46 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2crp h PRO 90 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2crp h PRO 90 CO 0.36 0.67 -0.10 1.63 -0.23 0.00 0.00 178.00 180.33 2crp n LYS 91 N -3.99 1.09 -1.52 0.86 5.02 -1.24 -5.03 118.16 113.35 2crp n LYS 91 Ca -0.02 -2.22 -0.34 0.00 -2.02 0.00 0.00 58.31 53.72 2crp n LYS 91 Cb 0.52 -1.28 -0.14 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.12 0.26 -0.40 1.97 2.13 -1.22 -4.71 120.64 117.56 2crp n GLU 92 Ca 0.12 -0.08 -0.17 0.00 0.66 0.00 0.00 57.16 57.70 2crp n GLU 92 Cb 0.64 -1.99 0.16 0.00 0.27 0.00 0.00 31.44 30.51 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 7.30 0.00 -3.15 6.31 0.24 -1.26 -4.89 118.33 122.88 2crp n VAL 93 Ca 0.59 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 62.45 2crp n VAL 93 Cb 0.20 -0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.18 6.20 -0.22 -1.34 2.47 -1.26 -4.99 114.94 113.62 2crp s ASN 94 Ca 0.36 -1.15 -0.04 0.00 0.42 0.00 0.00 52.86 52.45 2crp s ASN 94 Cb -0.06 -2.29 0.11 0.00 -1.45 0.00 0.00 41.25 37.56 2crp s ASN 94 CO 0.30 -0.97 0.36 0.27 -3.72 0.00 0.00 177.10 173.35 2crp s ILE 95 N 2.58 -0.57 0.96 -5.21 -4.36 -1.26 -4.78 121.20 108.58 2crp s ILE 95 Ca 0.13 0.01 -0.13 0.00 -0.26 0.00 0.00 60.65 60.40 2crp s ILE 95 Cb -0.22 -0.73 0.05 0.00 1.25 0.00 0.00 42.46 42.82 2crp s ILE 95 CO 0.09 -0.07 0.45 0.47 0.24 0.00 0.00 174.94 176.12 2crp n ASP 96 N 5.36 -1.90 -0.34 4.36 8.00 -1.26 -4.31 116.55 126.47 2crp n ASP 96 Ca -0.05 0.30 0.26 0.00 0.71 0.00 0.00 54.79 56.01 2crp n ASP 96 Cb 0.50 -1.21 0.56 0.00 -0.02 0.00 0.00 41.12 40.94 2crp n ASP 96 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2crp h HIS 97 N -1.65 0.57 0.00 1.24 3.86 -2.01 -0.58 115.15 116.58 2crp h HIS 97 Ca -0.44 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2crp h HIS 97 Cb 1.29 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2crp h HIS 97 CO 0.38 0.01 0.00 0.34 0.86 0.00 0.00 177.93 179.52 2crp n PHE 98 N -4.59 0.00 0.12 2.45 -0.00 -1.26 -0.06 117.46 114.11 2crp n PHE 98 Ca 0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.59 2crp n PHE 98 Cb 1.00 -0.47 -0.07 0.00 -0.00 0.00 0.00 39.48 39.94 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 0.84 -0.73 -2.13 2.02 -1.76 -2.64 112.91 108.51 2crp h THR 99 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 2crp h THR 99 Cb 0.00 0.84 -0.14 0.00 -1.74 0.00 0.00 68.15 67.11 2crp h THR 99 CO 0.00 0.00 -0.17 0.50 0.37 0.00 0.00 175.52 176.22 2crp h LYS 100 N -0.22 0.01 -0.44 6.66 3.11 -1.10 0.10 116.57 124.69 2crp h LYS 100 Ca -0.02 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.87 2crp h LYS 100 Cb 0.17 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.36 2crp h LYS 100 CO 0.03 0.00 0.18 -0.44 -2.81 0.00 0.00 179.45 176.42 2crp h ASP 101 N 0.01 0.23 -0.21 4.20 3.32 -0.25 -3.08 116.42 120.63 2crp h ASP 101 Ca 0.35 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.46 2crp h ASP 101 Cb 0.54 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2crp h ASP 101 CO -0.74 0.17 -0.19 0.40 -1.72 0.00 0.00 179.24 177.16 2crp h ILE 102 N 0.37 0.00 -0.97 0.35 1.08 -0.44 -0.85 117.51 117.04 2crp h ILE 102 Ca 0.20 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.85 2crp h ILE 102 Cb 0.16 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.73 2crp h ILE 102 CO -0.18 0.00 -0.29 0.41 -0.69 0.00 0.00 178.15 177.40 2crp n THR 103 N -3.64 -0.45 -0.07 -0.27 -1.04 -1.11 -0.36 114.28 107.35 2crp n THR 103 Ca -0.00 2.25 -0.11 0.00 -2.04 0.00 0.00 64.05 64.14 2crp n THR 103 Cb 0.10 -3.05 -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 -0.39 0.00 -2.82 2.86 -1.13 0.59 114.93 114.03 2crp h MET 104 Ca 0.42 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 2crp h MET 104 Cb 0.66 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2crp h MET 104 CO -0.99 -0.26 0.00 0.87 1.06 0.00 0.00 176.91 177.59 2crp h LYS 105 N -0.41 0.00 -0.01 1.72 1.57 -0.10 0.27 116.57 119.61 2crp h LYS 105 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2crp h LYS 105 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2crp h LYS 105 CO -0.49 0.00 -0.22 0.09 -0.57 0.00 0.00 179.45 178.26 2crp n ASN 106 N -2.67 1.50 -0.29 0.86 3.02 0.19 -3.86 115.26 114.01 2crp n ASN 106 Ca -0.02 -1.25 0.10 0.00 -0.03 0.00 0.00 54.58 53.38 2crp n ASN 106 Cb 0.05 0.16 0.45 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.17 0.87 -0.05 3.41 4.77 0.96 -2.35 117.00 124.45 2crp n LEU 107 Ca 0.13 -0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 55.53 2crp n LEU 107 Cb 0.39 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 2crp n LEU 107 CO 0.23 0.18 -0.85 0.55 -1.33 0.00 0.00 177.39 176.17 2crp n VAL 108 N -0.20 1.67 -2.50 4.08 3.14 -1.25 -4.58 118.33 118.69 2crp n VAL 108 Ca 0.15 -0.48 -0.13 0.00 -2.96 0.00 0.00 64.34 60.91 2crp n VAL 108 Cb 0.20 -1.78 0.03 0.00 -1.06 0.00 0.00 33.84 31.23 2crp n VAL 108 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2crp n GLU 109 N -3.72 2.46 -2.23 1.45 -0.58 -1.25 -5.09 120.64 111.68 2crp n GLU 109 Ca -0.35 -3.82 -0.41 0.00 -0.42 0.00 0.00 57.16 52.16 2crp n GLU 109 Cb 0.95 -1.84 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 2crp n GLU 109 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2crp s PRO 110 N -3.57 4.41 0.06 3.49 0.04 -0.99 -4.92 135.00 133.51 2crp s PRO 110 Ca 0.38 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2crp s PRO 110 Cb 0.39 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2crp s PRO 110 CO -0.03 -0.20 0.00 0.45 0.04 0.00 0.00 177.00 177.27 2crp n SER 111 N 2.23 0.06 0.00 6.66 2.88 -1.26 -4.55 113.62 119.64 2crp n SER 111 Ca 0.05 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2crp n SER 111 Cb 0.43 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.75 0.69 -1.76 2.46 4.77 -1.26 -4.80 117.00 114.35 2crp n LEU 112 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2crp n LEU 112 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 2crp n LEU 112 CO 0.00 0.12 0.90 -1.54 -1.33 0.00 0.00 177.39 175.54 2crp n SER 113 N -1.66 4.28 -0.09 -1.43 3.41 -1.26 -4.53 113.62 112.33 2crp n SER 113 Ca 0.00 -2.96 -0.06 0.00 -0.26 0.00 0.00 58.87 55.59 2crp n SER 113 Cb 0.13 -0.70 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 2crp n SER 113 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2crp h SER 114 N 2.18 -0.24 -0.95 4.04 0.02 -1.89 -1.92 113.55 114.79 2crp h SER 114 Ca 0.21 0.09 -0.64 0.00 -0.84 0.00 0.00 61.79 60.61 2crp h SER 114 Cb 2.01 0.18 -0.30 0.00 0.14 0.00 0.00 62.40 64.43 2crp h SER 114 CO 0.59 -0.08 0.62 0.49 -1.14 0.00 0.00 176.83 177.32 2crp n PHE 115 N -5.23 3.11 -0.22 3.45 3.01 -1.26 -4.63 117.46 115.69 2crp n PHE 115 Ca 0.01 -2.79 -0.08 0.00 1.01 0.00 0.00 57.45 55.60 2crp n PHE 115 Cb 0.18 -1.25 0.03 0.00 -0.01 0.00 0.00 39.48 38.43 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 0.89 0.06 4.37 3.58 -1.65 -0.19 116.42 125.38 2crp h ASP 116 Ca 0.57 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.81 2crp h ASP 116 Cb 1.12 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2crp h ASP 116 CO 1.42 0.87 -0.03 -0.03 -2.88 0.00 0.00 179.24 178.59 2crp h MET 117 N 0.87 -0.08 -0.94 0.28 4.05 -1.82 -3.02 114.93 114.27 2crp h MET 117 Ca 0.19 0.01 0.21 0.00 -0.28 0.00 0.00 59.70 59.83 2crp h MET 117 Cb 0.31 0.02 -0.12 0.00 -0.80 0.00 0.00 31.60 31.01 2crp h MET 117 CO -0.00 -0.01 0.50 0.00 0.23 0.00 0.00 176.91 177.62 2crp h ALA 118 N -0.98 1.55 0.67 0.39 0.00 -1.87 0.48 119.26 119.51 2crp h ALA 118 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2crp h ALA 118 Cb 0.10 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2crp h ALA 118 CO 0.01 -0.23 -0.32 0.37 0.00 0.00 0.00 179.25 179.08 2crp h GLN 119 N 0.55 -0.87 0.00 0.00 4.15 -1.15 -1.61 115.11 116.19 2crp h GLN 119 Ca 0.57 0.06 -0.03 0.00 0.77 0.00 0.00 58.65 60.02 2crp h GLN 119 Cb 1.01 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 2crp h GLN 119 CO -0.46 -0.56 -0.13 1.57 -1.93 0.00 0.00 178.83 177.31 2crp h LYS 120 N -0.95 0.00 0.10 1.69 2.10 -1.19 -0.86 116.57 117.47 2crp h LYS 120 Ca -0.09 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 2crp h LYS 120 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2crp h LYS 120 CO 0.15 0.13 -0.05 -0.09 -2.00 0.00 0.00 179.45 177.60 2crp h ARG 121 N 0.00 -0.13 -0.27 0.07 1.12 0.26 -2.06 114.38 113.37 2crp h ARG 121 Ca -0.00 0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.76 2crp h ARG 121 Cb 0.28 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2crp h ARG 121 CO 0.02 0.13 -0.28 0.82 -3.11 0.00 0.00 179.97 177.54 2crp h ILE 122 N -0.39 1.31 -0.80 1.20 1.08 -1.06 -3.02 117.51 115.82 2crp h ILE 122 Ca -0.01 -1.46 0.13 0.00 -0.39 0.00 0.00 64.86 63.13 2crp h ILE 122 Cb 0.32 1.64 -0.06 0.00 -3.07 0.00 0.00 36.82 35.65 2crp h ILE 122 CO 0.02 0.46 0.53 -0.74 -0.69 0.00 0.00 178.15 177.73 2crp h HIS 123 N 0.39 0.68 0.00 1.37 2.76 -1.18 0.30 115.15 119.47 2crp h HIS 123 Ca 0.04 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2crp h HIS 123 Cb 0.85 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 2crp h HIS 123 CO 0.07 0.28 -0.10 0.00 -1.30 0.00 0.00 177.93 176.88 2crp h ALA 124 N 1.62 0.98 0.11 5.26 0.00 -1.27 -2.93 119.26 123.03 2crp h ALA 124 Ca 0.39 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 2crp h ALA 124 Cb 0.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2crp h ALA 124 CO -0.15 0.12 -1.21 1.25 0.00 0.00 0.00 179.25 179.26 2crp h LEU 125 N 0.00 0.35 -0.16 0.00 5.85 -0.39 -3.06 115.31 117.90 2crp h LEU 125 Ca -0.00 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.86 2crp h LEU 125 Cb 0.77 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2crp h LEU 125 CO 0.01 1.53 0.00 0.23 -0.34 0.00 0.00 178.44 179.87 2crp n MET 126 N -4.04 0.03 -0.01 1.25 0.00 -0.00 0.12 117.12 114.47 2crp n MET 126 Ca -0.22 0.34 0.07 0.00 0.00 0.00 0.00 57.70 57.89 2crp n MET 126 Cb 0.85 -1.57 -0.15 0.00 0.00 0.00 0.00 33.22 32.35 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 -1.64 0.66 0.00 0.03 0.28 -1.11 0.51 120.64 119.37 2crp n GLU 127 Ca 0.02 -0.12 0.04 0.00 -0.16 0.00 0.00 57.16 56.95 2crp n GLU 127 Cb 0.14 -1.57 -0.01 0.00 1.43 0.00 0.00 31.44 31.43 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 -2.41 2.39 0.00 3.44 2.85 -0.73 -4.05 118.16 119.65 2crp n LYS 128 Ca -0.09 -0.50 -0.01 0.00 -1.05 0.00 0.00 58.31 56.67 2crp n LYS 128 Cb 0.68 -1.03 -0.00 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 -0.39 0.35 -0.00 -5.58 2.03 0.32 -4.71 116.55 108.57 2crp n ASP 129 Ca 0.03 0.05 -0.11 0.00 0.52 0.00 0.00 54.79 55.29 2crp n ASP 129 Cb 0.18 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 40.30 2crp n ASP 129 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2crp h SER 130 N -0.06 -0.08 -0.99 1.67 4.64 -1.63 -2.88 113.55 114.21 2crp h SER 130 Ca 0.00 -0.52 0.15 0.00 -0.47 0.00 0.00 61.79 60.95 2crp h SER 130 Cb 0.06 0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 62.01 2crp h SER 130 CO 0.00 0.59 -0.39 -0.11 -0.87 0.00 0.00 176.83 176.05 2crp n LEU 131 N -4.80 -0.65 0.28 5.97 7.94 0.18 0.22 117.00 126.14 2crp n LEU 131 Ca -0.08 1.73 0.17 0.00 -1.11 0.00 0.00 56.01 56.73 2crp n LEU 131 Cb 0.30 -0.39 0.70 0.00 0.53 0.00 0.00 43.42 44.55 2crp n LEU 131 CO 0.26 -1.55 1.00 1.55 -1.11 0.00 0.00 177.39 177.54 2crp h PRO 132 N 0.00 0.00 0.00 1.96 0.13 -1.70 -2.39 132.00 130.00 2crp h PRO 132 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 2crp h PRO 132 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2crp h PRO 132 CO -0.98 0.00 -1.13 0.54 -0.23 0.00 0.00 178.00 176.20 2crp n ARG 133 N -3.06 0.26 0.04 0.86 5.12 0.47 -4.10 116.66 116.25 2crp n ARG 133 Ca 0.01 -0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.67 2crp n ARG 133 Cb 0.29 -1.56 -0.14 0.00 -1.16 0.00 0.00 32.46 29.89 2crp n ARG 133 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2crp h PHE 134 N 0.00 0.59 0.00 -1.55 3.57 0.30 -3.34 116.94 116.52 2crp h PHE 134 Ca 0.00 -0.43 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 2crp h PHE 134 Cb 0.70 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 2crp h PHE 134 CO 0.00 1.72 -0.07 -0.39 -2.23 0.00 0.00 178.31 177.34 2crp h VAL 135 N 0.05 0.39 -0.24 1.41 -1.51 -1.62 -2.48 116.25 112.25 2crp h VAL 135 Ca -0.38 -0.37 -0.18 0.00 -1.23 0.00 0.00 66.70 64.55 2crp h VAL 135 Cb 2.04 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.46 2crp h VAL 135 CO 0.13 0.07 -0.54 0.03 -1.23 0.00 0.00 177.57 176.03 2crp h ARG 136 N 0.00 0.78 -6.71 5.19 2.47 -1.71 -3.40 114.38 111.00 2crp h ARG 136 Ca -0.00 -0.53 -0.52 0.00 -1.26 0.00 0.00 59.98 57.67 2crp h ARG 136 Cb 0.25 0.07 0.04 0.00 -1.65 0.00 0.00 29.97 28.68 2crp h ARG 136 CO 0.01 1.15 0.65 -1.54 0.56 0.00 0.00 179.97 180.80 2crp s SER 137 N -6.87 6.89 0.36 7.04 1.04 -0.93 -4.86 113.70 116.36 2crp s SER 137 Ca -0.11 2.44 0.26 0.00 0.48 0.00 0.00 55.95 59.02 2crp s SER 137 Cb 0.09 -2.62 1.22 0.00 0.10 0.00 0.00 66.02 64.81 2crp s SER 137 CO 0.87 -0.52 1.28 -0.62 0.98 0.00 0.00 173.24 175.24 2crp n GLU 138 N 2.32 -0.03 -0.24 4.02 1.02 -1.26 -0.18 120.64 126.29 2crp n GLU 138 Ca 0.05 1.04 0.19 0.00 -0.02 0.00 0.00 57.16 58.42 2crp n GLU 138 Cb 0.43 -2.03 0.36 0.00 -0.02 0.00 0.00 31.44 30.17 2crp n GLU 138 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2crp n PHE 139 N -4.38 0.72 0.04 -0.32 3.01 -1.26 0.12 117.46 115.39 2crp n PHE 139 Ca 0.33 0.87 -0.21 0.00 1.01 0.00 0.00 57.45 59.44 2crp n PHE 139 Cb 1.27 -1.20 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 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 0.54 -0.85 1.38 3.20 -0.73 -3.31 116.97 117.20 2crp h TYR 140 Ca 0.56 -0.39 0.18 0.00 3.14 0.00 0.00 58.73 62.22 2crp h TYR 140 Cb 1.39 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.58 2crp h TYR 140 CO -0.13 1.49 0.57 1.96 -1.64 0.00 0.00 178.16 180.41 2crp h GLN 141 N -0.26 0.42 0.00 1.82 1.08 0.85 0.61 115.11 119.64 2crp h GLN 141 Ca -0.26 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2crp h GLN 141 Cb 1.78 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.12 2crp h GLN 141 CO 0.11 0.28 0.00 1.05 -0.95 0.00 0.00 178.83 179.32 2crp h GLU 142 N 0.44 0.00 0.00 1.46 4.11 -0.66 0.42 114.58 120.34 2crp h GLU 142 Ca 0.44 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.82 2crp h GLU 142 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2crp h GLU 142 CO -0.16 0.00 -0.24 -0.07 0.07 0.00 0.00 179.01 178.61 2crp h LEU 143 N 0.00 0.00 0.00 3.06 3.38 0.15 -2.13 115.31 119.78 2crp h LEU 143 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2crp h LEU 143 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2crp h LEU 143 CO 0.00 0.19 -1.72 2.30 0.09 0.00 0.00 178.44 179.30 2crp n ILE 144 N -3.13 0.72 -0.05 1.22 -5.35 -1.08 -4.76 119.36 106.92 2crp n ILE 144 Ca 0.03 -0.24 -0.21 0.00 -0.27 0.00 0.00 62.75 62.06 2crp n ILE 144 Cb 0.61 -1.24 -0.13 0.00 -1.74 0.00 0.00 39.64 37.14 2crp n ILE 144 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2crp h SER 145 N -0.19 0.18 0.00 7.28 0.02 -0.33 -3.48 113.55 117.02 2crp h SER 145 Ca -0.30 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 2crp h SER 145 Cb 1.37 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2crp h SER 145 CO -0.11 1.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 2crp n GLY 146 N 1.63 1.91 0.00 -3.77 0.00 -0.80 -0.26 105.19 103.90 2crp n GLY 146 Ca -0.28 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2crp n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crp n PRO 147 N 13.59 0.49 -0.98 1.61 -0.04 -1.26 -4.87 135.00 143.53 2crp n PRO 147 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2crp n PRO 147 Cb 0.00 -1.03 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2crp n PRO 147 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2crp n SER 148 N -0.53 -4.71 -3.78 3.54 7.64 0.64 -5.01 113.62 111.42 2crp n SER 148 Ca 0.01 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.88 2crp n SER 148 Cb 0.00 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.37 2crp n SER 148 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crp s SER 149 N -1.09 -0.23 0.00 6.43 1.04 -1.26 -5.14 113.70 113.45 2crp s SER 149 Ca 0.40 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2crp s SER 149 Cb -0.08 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2crp s SER 149 CO 0.76 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.49