#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr4 s SER 2 N 0.00 6.19 -1.67 1.61 1.04 -1.26 -4.45 113.70 115.16 2cr4 s SER 2 Ca 0.00 -0.98 -0.16 0.00 0.48 0.00 0.00 55.95 55.30 2cr4 s SER 2 Cb 0.00 -2.24 0.14 0.00 0.10 0.00 0.00 66.02 64.02 2cr4 s SER 2 CO 0.00 -0.73 0.69 -0.24 0.98 0.00 0.00 173.24 173.94 2cr4 n SER 3 N 5.71 -2.64 0.00 7.02 2.88 -1.26 -4.81 113.62 120.53 2cr4 n SER 3 Ca -0.09 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 2cr4 n SER 3 Cb 0.45 -2.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.23 2cr4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr4 n GLY 4 N -1.51 2.91 3.13 0.46 0.00 -1.26 -5.00 105.19 103.92 2cr4 n GLY 4 Ca 0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 2cr4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr4 n SER 5 N 0.00 -5.79 -4.56 1.61 7.64 -1.26 -4.86 113.62 106.40 2cr4 n SER 5 Ca 0.00 -0.33 -0.33 0.00 1.01 0.00 0.00 58.87 59.22 2cr4 n SER 5 Cb 0.00 -4.68 -0.04 0.00 -1.01 0.00 0.00 64.21 58.48 2cr4 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr4 s SER 6 N -2.76 5.46 0.00 6.43 0.01 -1.26 -3.51 113.70 118.07 2cr4 s SER 6 Ca 0.34 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2cr4 s SER 6 Cb -0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2cr4 s SER 6 CO 0.43 -2.40 0.00 0.61 0.41 0.00 0.00 173.24 172.29 2cr4 n GLY 7 N 6.47 0.55 3.85 3.44 0.00 -1.26 -5.15 105.19 113.09 2cr4 n GLY 7 Ca 0.31 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 2cr4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cr4 s GLU 8 N 0.00 3.89 -0.27 1.61 8.01 -1.23 -5.06 118.70 125.65 2cr4 s GLU 8 Ca 0.00 0.87 -0.02 0.00 0.01 0.00 0.00 54.97 55.83 2cr4 s GLU 8 Cb 0.00 -2.16 0.09 0.00 -4.31 0.00 0.00 34.13 27.74 2cr4 s GLU 8 CO 0.00 -0.27 0.08 -0.51 0.01 0.00 0.00 175.26 174.57 2cr4 s ASP 9 N -3.19 3.60 -0.70 -0.19 1.01 -1.26 -5.05 116.67 110.88 2cr4 s ASP 9 Ca 0.57 -1.32 0.05 0.00 0.71 0.00 0.00 52.55 52.57 2cr4 s ASP 9 Cb -0.10 -0.70 0.22 0.00 1.01 0.00 0.00 42.92 43.34 2cr4 s ASP 9 CO 0.34 -0.38 0.67 -1.22 0.21 0.00 0.00 175.17 174.78 2cr4 n TYR 10 N 4.97 3.49 0.05 4.23 4.02 -1.26 -4.83 117.16 127.83 2cr4 n TYR 10 Ca -0.05 -4.17 0.04 0.00 -0.01 0.00 0.00 57.90 53.70 2cr4 n TYR 10 Cb 0.44 -0.65 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 2cr4 n TYR 10 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2cr4 n GLU 11 N 1.44 0.62 -0.60 -0.72 0.00 -1.26 -4.17 120.64 115.94 2cr4 n GLU 11 Ca 0.25 0.16 -0.04 0.00 0.00 0.00 0.00 57.16 57.53 2cr4 n GLU 11 Cb 0.38 -1.79 -0.00 0.00 0.00 0.00 0.00 31.44 30.03 2cr4 n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cr4 n LYS 12 N -2.78 1.20 -4.29 3.44 5.02 -1.26 -4.86 118.16 114.63 2cr4 n LYS 12 Ca -0.07 -0.33 -0.33 0.00 -2.02 0.00 0.00 58.31 55.56 2cr4 n LYS 12 Cb 0.74 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 34.50 2cr4 n LYS 12 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cr4 s VAL 13 N -0.32 4.29 -0.02 -0.18 -7.23 -1.26 -5.04 120.40 110.64 2cr4 s VAL 13 Ca 0.09 -0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 59.58 2cr4 s VAL 13 Cb 0.06 -2.88 -0.18 0.00 0.56 0.00 0.00 36.38 33.94 2cr4 s VAL 13 CO -0.00 0.46 1.17 1.55 -0.31 0.00 0.00 175.10 177.96 2cr4 h PRO 14 N 4.61 -0.15 -3.99 4.82 0.13 -1.96 -3.41 132.00 132.05 2cr4 h PRO 14 Ca -0.50 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 2cr4 h PRO 14 Cb 1.18 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2cr4 h PRO 14 CO 0.57 0.28 -0.73 -0.51 -0.23 0.00 0.00 178.00 177.38 2cr4 s LEU 15 N -9.25 3.46 0.82 1.56 2.01 -1.26 -4.88 118.68 111.14 2cr4 s LEU 15 Ca -0.15 -2.00 -0.11 0.00 0.01 0.00 0.00 54.13 51.88 2cr4 s LEU 15 Cb 0.01 -1.24 0.08 0.00 0.01 0.00 0.00 46.19 45.06 2cr4 s LEU 15 CO 0.59 -0.38 1.09 -2.16 1.01 0.00 0.00 176.35 176.51 2cr4 s PRO 16 N 1.13 1.87 -0.06 1.29 0.04 -1.26 -4.92 135.00 133.09 2cr4 s PRO 16 Ca 0.11 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.22 2cr4 s PRO 16 Cb -0.19 -1.86 0.19 0.00 0.04 0.00 0.00 34.50 32.68 2cr4 s PRO 16 CO -0.15 -1.87 0.80 0.09 0.04 0.00 0.00 177.00 175.91 2cr4 n ASN 17 N -3.66 2.13 -0.09 6.66 4.13 -1.26 -3.50 115.26 119.66 2cr4 n ASN 17 Ca 0.08 -2.22 -0.10 0.00 1.68 0.00 0.00 54.58 54.03 2cr4 n ASN 17 Cb 0.54 -0.54 -0.12 0.00 -1.54 0.00 0.00 39.78 38.11 2cr4 n ASN 17 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2cr4 n SER 18 N 0.14 1.26 0.12 6.41 3.41 -1.26 -4.45 113.62 119.24 2cr4 n SER 18 Ca 0.07 -0.03 -0.03 0.00 -0.26 0.00 0.00 58.87 58.62 2cr4 n SER 18 Cb 0.48 0.63 0.15 0.00 -0.26 0.00 0.00 64.21 65.20 2cr4 n SER 18 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2cr4 h VAL 19 N 0.00 1.42 -1.61 -3.33 -1.51 -1.56 -3.38 116.25 106.29 2cr4 h VAL 19 Ca -0.45 -2.08 -0.52 0.00 -1.23 0.00 0.00 66.70 62.41 2cr4 h VAL 19 Cb 1.95 2.10 -0.08 0.00 -2.13 0.00 0.00 31.29 33.14 2cr4 h VAL 19 CO 0.00 0.60 1.22 -0.36 -1.23 0.00 0.00 177.57 177.80 2cr4 s PHE 20 N -3.65 2.22 0.20 5.19 0.40 -1.26 -0.15 117.98 120.93 2cr4 s PHE 20 Ca -0.02 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.07 2cr4 s PHE 20 Cb 0.12 -4.50 -0.07 0.00 0.51 0.00 0.00 43.02 39.08 2cr4 s PHE 20 CO 0.78 -2.01 0.53 0.54 0.70 0.00 0.00 175.22 175.75 2cr4 s VAL 21 N 6.51 4.94 -0.41 -0.44 0.11 -0.67 -4.97 120.40 125.48 2cr4 s VAL 21 Ca 0.48 0.51 0.04 0.00 -2.93 0.00 0.00 61.98 60.08 2cr4 s VAL 21 Cb -0.05 -3.64 0.31 0.00 -1.53 0.00 0.00 36.38 31.46 2cr4 s VAL 21 CO 0.04 0.02 1.23 -3.20 -3.33 0.00 0.00 175.10 169.86 2cr4 n ASN 22 N 0.13 3.18 -4.86 3.54 5.15 -1.26 -4.14 115.26 117.00 2cr4 n ASN 22 Ca -0.01 -2.55 -0.33 0.00 -0.60 0.00 0.00 54.58 51.08 2cr4 n ASN 22 Cb 0.52 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 39.10 2cr4 n ASN 22 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2cr4 s THR 23 N -1.55 5.17 -0.17 -0.44 -1.32 -1.26 -4.97 115.64 111.11 2cr4 s THR 23 Ca 0.24 -0.22 0.15 0.00 -1.21 0.00 0.00 61.69 60.64 2cr4 s THR 23 Cb 0.19 -3.38 0.36 0.00 -1.51 0.00 0.00 72.50 68.15 2cr4 s THR 23 CO 0.06 0.36 1.19 0.35 -2.21 0.00 0.00 174.62 174.36 2cr4 n THR 24 N 1.12 2.04 -4.63 5.08 -2.24 -1.26 -1.86 114.28 112.53 2cr4 n THR 24 Ca -0.12 -2.77 -0.22 0.00 -2.27 0.00 0.00 64.05 58.66 2cr4 n THR 24 Cb 0.53 -0.23 -0.15 0.00 -2.10 0.00 0.00 70.33 68.38 2cr4 n THR 24 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cr4 s GLU 25 N -3.04 1.14 0.12 -0.78 2.02 -1.26 -4.62 118.70 112.28 2cr4 s GLU 25 Ca 0.35 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.79 2cr4 s GLU 25 Cb 0.33 -1.10 -0.11 0.00 0.10 0.00 0.00 34.13 33.35 2cr4 s GLU 25 CO -0.02 0.28 1.30 0.66 0.02 0.00 0.00 175.26 177.50 2cr4 h SER 26 N 5.86 0.65 0.17 -0.19 4.64 -1.95 -2.97 113.55 119.76 2cr4 h SER 26 Ca -0.34 -0.50 -0.03 0.00 -0.47 0.00 0.00 61.79 60.46 2cr4 h SER 26 Cb 1.16 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2cr4 h SER 26 CO 0.49 1.29 -0.13 0.00 -0.87 0.00 0.00 176.83 177.60 2cr4 h GLU 28 N 0.00 -0.12 -0.84 0.00 4.57 -1.98 -3.26 114.58 112.95 2cr4 h GLU 28 Ca -0.00 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 2cr4 h GLU 28 Cb 0.25 0.03 -0.13 0.00 -0.16 0.00 0.00 28.75 28.74 2cr4 h GLU 28 CO 0.02 0.38 -0.45 0.28 -1.18 0.00 0.00 179.01 178.06 2cr4 h VAL 29 N -0.91 0.04 -0.69 0.32 2.07 -1.40 0.28 116.25 115.96 2cr4 h VAL 29 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 2cr4 h VAL 29 Cb 0.55 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 2cr4 h VAL 29 CO 0.02 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.56 2cr4 h GLU 30 N -0.08 0.13 -0.14 1.57 4.81 -1.66 -0.50 114.58 118.71 2cr4 h GLU 30 Ca 0.25 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2cr4 h GLU 30 Cb 0.54 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2cr4 h GLU 30 CO -0.87 0.09 0.09 -0.09 -0.73 0.00 0.00 179.01 177.50 2cr4 h ARG 31 N 0.13 0.18 -0.58 1.92 1.12 -0.57 -2.73 114.38 113.86 2cr4 h ARG 31 Ca 0.37 -0.01 0.11 0.00 -1.11 0.00 0.00 59.98 59.34 2cr4 h ARG 31 Cb 0.63 -0.04 -0.09 0.00 -0.01 0.00 0.00 29.97 30.46 2cr4 h ARG 31 CO -0.58 0.13 0.07 -0.07 -3.11 0.00 0.00 179.97 176.41 2cr4 h LEU 32 N 0.18 -0.11 0.17 3.80 3.38 0.47 0.44 115.31 123.64 2cr4 h LEU 32 Ca 0.05 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2cr4 h LEU 32 Cb -0.01 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2cr4 h LEU 32 CO -0.01 -0.04 -0.20 -0.26 0.09 0.00 0.00 178.44 178.02 2cr4 h PHE 33 N 0.19 -0.55 0.00 1.13 -1.00 -1.03 0.12 116.94 115.81 2cr4 h PHE 33 Ca 0.30 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.09 2cr4 h PHE 33 Cb 0.46 0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.24 2cr4 h PHE 33 CO -0.29 -0.25 0.10 1.63 -1.61 0.00 0.00 178.31 177.88 2cr4 n LYS 34 N -3.52 0.06 -0.08 1.51 5.02 -1.05 -1.77 118.16 118.34 2cr4 n LYS 34 Ca -0.04 0.52 -0.13 0.00 -2.02 0.00 0.00 58.31 56.64 2cr4 n LYS 34 Cb 0.17 -1.80 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 2cr4 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cr4 h ALA 35 N 1.69 0.08 -0.13 7.82 0.00 0.63 -3.35 119.26 125.99 2cr4 h ALA 35 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.33 2cr4 h ALA 35 Cb 0.19 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2cr4 h ALA 35 CO 0.00 0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.62 2cr4 h THR 36 N -1.00 0.69 -3.90 0.00 1.03 0.00 -3.43 112.91 106.30 2cr4 h THR 36 Ca -0.10 0.00 -0.55 0.00 -0.01 0.00 0.00 66.41 65.75 2cr4 h THR 36 Cb 0.86 0.91 0.13 0.00 -1.07 0.00 0.00 68.15 68.98 2cr4 h THR 36 CO -0.06 0.00 0.62 -1.54 -0.01 0.00 0.00 175.52 174.53 2cr4 n SER 37 N -4.13 2.93 -0.06 0.00 3.41 -1.02 -4.94 113.62 109.80 2cr4 n SER 37 Ca 0.00 1.07 -0.13 0.00 -0.26 0.00 0.00 58.87 59.55 2cr4 n SER 37 Cb 0.24 -1.57 -0.06 0.00 -0.26 0.00 0.00 64.21 62.55 2cr4 n SER 37 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2cr4 h PRO 38 N 1.95 0.45 -0.01 4.33 0.13 -1.85 -3.17 132.00 133.82 2cr4 h PRO 38 Ca -0.50 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2cr4 h PRO 38 Cb 1.29 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2cr4 h PRO 38 CO 0.59 0.80 -0.34 0.54 -0.23 0.00 0.00 178.00 179.36 2cr4 n ARG 39 N -4.48 0.76 -0.08 0.86 1.74 -1.26 -4.92 116.66 109.28 2cr4 n ARG 39 Ca -0.05 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 2cr4 n ARG 39 Cb 0.39 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2cr4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cr4 n GLY 40 N 1.38 0.71 3.07 -0.13 0.00 -1.20 -5.07 105.19 103.95 2cr4 n GLY 40 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2cr4 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cr4 s GLU 41 N -0.92 2.40 0.86 1.61 -1.05 -1.26 -4.68 118.70 115.66 2cr4 s GLU 41 Ca 0.00 -0.62 -0.11 0.00 -0.15 0.00 0.00 54.97 54.09 2cr4 s GLU 41 Cb 0.00 -2.04 0.11 0.00 -0.44 0.00 0.00 34.13 31.76 2cr4 s GLU 41 CO 0.00 -0.08 1.09 -1.25 0.95 0.00 0.00 175.26 175.97 2cr4 s PRO 42 N 1.04 1.54 -0.12 -4.83 0.04 -1.26 -4.74 135.00 126.66 2cr4 s PRO 42 Ca -0.05 0.92 -0.06 0.00 0.04 0.00 0.00 61.00 61.85 2cr4 s PRO 42 Cb -0.15 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2cr4 s PRO 42 CO -0.03 -2.07 0.09 -0.65 0.04 0.00 0.00 177.00 174.38 2cr4 s GLN 43 N -4.93 3.43 0.07 4.56 -0.21 -1.26 -5.04 119.66 116.29 2cr4 s GLN 43 Ca 0.63 -0.23 -0.37 0.00 0.02 0.00 0.00 55.36 55.40 2cr4 s GLN 43 Cb -0.18 -3.10 -0.17 0.00 1.00 0.00 0.00 33.01 30.56 2cr4 s GLN 43 CO 0.57 0.67 1.31 -3.47 -2.12 0.00 0.00 175.29 172.25 2cr4 n ASP 44 N 2.30 1.46 0.00 5.90 -0.08 -1.26 -1.37 116.55 123.49 2cr4 n ASP 44 Ca -0.19 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 2cr4 n ASP 44 Cb 0.54 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.84 2cr4 n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cr4 n GLY 45 N 2.41 0.92 3.48 0.27 0.00 -1.24 -4.64 105.19 106.38 2cr4 n GLY 45 Ca 0.19 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.73 2cr4 n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cr4 n LEU 46 N 0.00 2.32 -4.52 0.99 7.94 -0.47 -3.49 117.00 119.76 2cr4 n LEU 46 Ca 0.00 0.31 -0.25 0.00 -1.11 0.00 0.00 56.01 54.96 2cr4 n LEU 46 Cb 0.00 -1.33 -0.10 0.00 0.53 0.00 0.00 43.42 42.52 2cr4 n LEU 46 CO 0.00 -0.77 -0.39 -0.72 -1.11 0.00 0.00 177.39 174.40 2cr4 s TYR 47 N 7.83 2.33 0.27 1.96 1.13 -0.72 0.49 117.35 130.65 2cr4 s TYR 47 Ca 1.08 -0.51 -0.12 0.00 -1.41 0.00 0.00 57.07 56.11 2cr4 s TYR 47 Cb -0.73 -1.30 0.05 0.00 -1.10 0.00 0.00 41.96 38.88 2cr4 s TYR 47 CO 0.45 0.56 0.65 0.00 -2.51 0.00 0.00 175.55 174.70 2cr4 s ILE 49 N -2.28 0.23 0.38 0.00 1.01 0.79 -2.13 121.20 119.21 2cr4 s ILE 49 Ca 0.13 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2cr4 s ILE 49 Cb -0.03 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 2cr4 s ILE 49 CO 0.08 -0.47 0.42 0.00 0.00 0.00 0.00 174.94 174.97 2cr4 s ARG 50 N 1.97 2.75 0.23 2.79 1.70 -1.16 -1.66 118.95 125.57 2cr4 s ARG 50 Ca 0.05 -1.32 -0.05 0.00 -0.47 0.00 0.00 55.73 53.95 2cr4 s ARG 50 Cb -0.16 -2.57 -0.05 0.00 -0.57 0.00 0.00 34.95 31.59 2cr4 s ARG 50 CO -0.20 -0.09 0.48 -0.80 -1.08 0.00 0.00 175.30 173.61 2cr4 s ASN 51 N -4.15 6.47 -0.01 -2.89 0.01 -0.78 -1.31 114.94 112.27 2cr4 s ASN 51 Ca 0.47 0.65 0.04 0.00 -0.71 0.00 0.00 52.86 53.31 2cr4 s ASN 51 Cb -0.07 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 2cr4 s ASN 51 CO 0.29 -0.10 -0.14 -0.55 -1.51 0.00 0.00 177.10 175.10 2cr4 s SER 52 N -2.91 4.10 0.01 -1.22 0.15 -1.18 -4.15 113.70 108.50 2cr4 s SER 52 Ca 0.43 -0.24 -0.19 0.00 0.70 0.00 0.00 55.95 56.64 2cr4 s SER 52 Cb -0.11 -0.84 -0.26 0.00 -1.71 0.00 0.00 66.02 63.10 2cr4 s SER 52 CO 0.27 0.31 1.07 0.28 1.20 0.00 0.00 173.24 176.37 2cr4 h SER 53 N 4.95 0.63 -3.71 5.45 0.02 -1.85 -3.46 113.55 115.58 2cr4 h SER 53 Ca -0.47 -0.81 -0.47 0.00 -0.84 0.00 0.00 61.79 59.20 2cr4 h SER 53 Cb 1.16 -0.20 0.20 0.00 0.14 0.00 0.00 62.40 63.70 2cr4 h SER 53 CO 0.50 1.36 0.11 0.42 -1.14 0.00 0.00 176.83 178.09 2cr4 s THR 54 N -3.03 2.12 0.15 -2.27 -4.23 -1.26 -4.87 115.64 102.25 2cr4 s THR 54 Ca -0.12 0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.23 2cr4 s THR 54 Cb 0.04 -2.14 0.05 0.00 1.34 0.00 0.00 72.50 71.78 2cr4 s THR 54 CO 0.86 -0.05 1.23 0.29 -0.54 0.00 0.00 174.62 176.41 2cr4 n LYS 55 N -4.56 -0.28 -0.97 3.99 5.02 -1.26 -4.54 118.16 115.56 2cr4 n LYS 55 Ca 0.06 1.21 -0.32 0.00 -2.02 0.00 0.00 58.31 57.25 2cr4 n LYS 55 Cb 0.54 -1.79 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 2cr4 n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cr4 n SER 56 N -5.07 -4.18 0.00 4.39 3.41 -1.26 -4.99 113.62 105.92 2cr4 n SER 56 Ca 0.04 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2cr4 n SER 56 Cb 0.25 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2cr4 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr4 n GLY 57 N 2.59 0.93 3.50 5.00 0.00 -1.26 -4.64 105.19 111.30 2cr4 n GLY 57 Ca 0.03 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2cr4 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cr4 s LYS 58 N 1.75 -0.91 -0.16 1.61 -0.14 -1.26 -3.12 119.74 117.51 2cr4 s LYS 58 Ca 0.00 0.81 -0.04 0.00 -1.36 0.00 0.00 55.97 55.38 2cr4 s LYS 58 Cb 0.00 -1.56 0.08 0.00 -1.68 0.00 0.00 37.83 34.67 2cr4 s LYS 58 CO 0.00 -3.71 0.23 0.08 -0.76 0.00 0.00 175.35 171.19 2cr4 s VAL 59 N -2.49 -0.36 -0.18 3.17 1.01 -0.43 -2.12 120.40 119.01 2cr4 s VAL 59 Ca 0.68 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 2cr4 s VAL 59 Cb -0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2cr4 s VAL 59 CO 0.64 -0.05 1.74 -0.22 0.00 0.00 0.00 175.10 177.21 2cr4 s LEU 60 N 2.36 3.94 -0.27 3.92 2.96 0.23 -2.97 118.68 128.86 2cr4 s LEU 60 Ca 0.05 1.83 -0.05 0.00 -0.22 0.00 0.00 54.13 55.74 2cr4 s LEU 60 Cb -0.14 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.03 2cr4 s LEU 60 CO -0.10 -1.29 0.02 -0.69 -1.32 0.00 0.00 176.35 172.97 2cr4 s VAL 61 N 5.40 3.54 0.24 1.68 1.01 -0.90 -0.22 120.40 131.14 2cr4 s VAL 61 Ca 0.77 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2cr4 s VAL 61 Cb -0.29 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2cr4 s VAL 61 CO 0.31 0.15 0.13 -0.69 0.00 0.00 0.00 175.10 175.00 2cr4 s VAL 62 N 1.44 4.16 -0.15 2.92 1.01 -1.26 -1.09 120.40 127.43 2cr4 s VAL 62 Ca 0.02 -1.50 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 2cr4 s VAL 62 Cb -0.17 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2cr4 s VAL 62 CO -0.00 -0.32 0.09 0.86 0.00 0.00 0.00 175.10 175.73 2cr4 s TRP 63 N -2.12 3.37 -0.45 5.22 -0.11 0.18 0.08 118.94 125.11 2cr4 s TRP 63 Ca 0.32 0.28 -0.12 0.00 1.22 0.00 0.00 56.10 57.79 2cr4 s TRP 63 Cb -0.08 -2.01 0.08 0.00 -1.50 0.00 0.00 33.47 29.96 2cr4 s TRP 63 CO 0.23 0.40 0.33 0.34 -4.62 0.00 0.00 176.95 173.63 2cr4 s ASP 64 N -0.24 5.89 0.23 5.86 -1.08 0.22 -3.73 116.67 123.82 2cr4 s ASP 64 Ca 0.09 -1.43 0.04 0.00 -0.52 0.00 0.00 52.55 50.74 2cr4 s ASP 64 Cb -0.12 -2.09 0.22 0.00 -1.46 0.00 0.00 42.92 39.48 2cr4 s ASP 64 CO 0.01 -0.60 1.54 -0.08 0.52 0.00 0.00 175.17 176.57 2cr4 h GLU 65 N 8.58 0.24 -0.05 4.34 4.22 -1.92 1.95 114.58 131.93 2cr4 h GLU 65 Ca -0.26 -0.17 -0.15 0.00 0.08 0.00 0.00 59.36 58.86 2cr4 h GLU 65 Cb 1.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2cr4 h GLU 65 CO 0.82 0.79 -0.65 1.79 -2.18 0.00 0.00 179.01 179.58 2cr4 h THR 66 N 0.17 1.41 0.00 0.32 1.35 -1.95 -3.22 112.91 110.99 2cr4 h THR 66 Ca -0.01 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 2cr4 h THR 66 Cb 1.15 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2cr4 h THR 66 CO 0.10 0.61 -0.88 -1.20 -0.25 0.00 0.00 175.52 173.90 2cr4 n SER 67 N -3.83 0.82 -3.59 5.36 7.64 -1.17 -5.00 113.62 113.84 2cr4 n SER 67 Ca -0.02 -0.76 -0.23 0.00 1.01 0.00 0.00 58.87 58.87 2cr4 n SER 67 Cb 0.65 1.10 0.08 0.00 -1.01 0.00 0.00 64.21 65.03 2cr4 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2cr4 n ASN 68 N -1.47 -5.51 -3.70 6.43 2.85 0.65 -4.99 115.26 109.52 2cr4 n ASN 68 Ca 0.02 -0.57 -0.11 0.00 -0.11 0.00 0.00 54.58 53.81 2cr4 n ASN 68 Cb 0.27 -4.97 -0.06 0.00 1.24 0.00 0.00 39.78 36.27 2cr4 n ASN 68 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2cr4 s LYS 69 N -6.17 0.96 0.43 1.20 -2.85 -0.59 -4.95 119.74 107.76 2cr4 s LYS 69 Ca 0.49 -0.67 -0.08 0.00 -1.00 0.00 0.00 55.97 54.71 2cr4 s LYS 69 Cb -0.22 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2cr4 s LYS 69 CO 0.74 -0.35 0.76 0.14 0.10 0.00 0.00 175.35 176.74 2cr4 s VAL 70 N -3.41 4.86 0.31 1.79 -7.23 -1.26 0.71 120.40 116.17 2cr4 s VAL 70 Ca 0.01 0.38 0.02 0.00 -1.81 0.00 0.00 61.98 60.58 2cr4 s VAL 70 Cb 0.02 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.19 2cr4 s VAL 70 CO -0.09 -0.66 0.20 0.54 -0.31 0.00 0.00 175.10 174.78 2cr4 n ARG 71 N -1.71 1.07 -3.67 4.82 5.12 0.11 -4.88 116.66 117.52 2cr4 n ARG 71 Ca 0.01 -2.00 -0.17 0.00 -1.93 0.00 0.00 57.85 53.76 2cr4 n ARG 71 Cb 0.54 0.27 -0.16 0.00 -1.16 0.00 0.00 32.46 31.95 2cr4 n ARG 71 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2cr4 s ASN 72 N -2.81 0.81 -0.34 0.55 0.02 -1.26 -4.06 114.94 107.84 2cr4 s ASN 72 Ca 0.15 0.27 0.00 0.00 -1.02 0.00 0.00 52.86 52.26 2cr4 s ASN 72 Cb -0.01 0.18 0.11 0.00 0.02 0.00 0.00 41.25 41.54 2cr4 s ASN 72 CO 0.09 -0.24 0.13 -0.31 0.02 0.00 0.00 177.10 176.79 2cr4 s TYR 73 N 2.23 1.87 0.21 2.20 2.02 0.69 -4.99 117.35 121.58 2cr4 s TYR 73 Ca 0.03 -1.97 -0.32 0.00 -0.37 0.00 0.00 57.07 54.44 2cr4 s TYR 73 Cb -0.12 -1.81 -0.12 0.00 -0.40 0.00 0.00 41.96 39.51 2cr4 s TYR 73 CO -0.05 -0.86 1.72 1.03 -1.57 0.00 0.00 175.55 175.82 2cr4 s ARG 74 N 1.27 4.12 -0.97 -0.62 0.52 -1.26 0.78 118.95 122.79 2cr4 s ARG 74 Ca 0.12 2.61 -0.11 0.00 -0.52 0.00 0.00 55.73 57.83 2cr4 s ARG 74 Cb -0.19 -3.07 0.25 0.00 0.52 0.00 0.00 34.95 32.46 2cr4 s ARG 74 CO -0.17 -0.75 0.94 0.42 0.02 0.00 0.00 175.30 175.76 2cr4 s ILE 75 N 1.12 5.73 0.90 1.52 1.01 -0.90 -4.36 121.20 126.22 2cr4 s ILE 75 Ca 0.74 -3.03 -0.12 0.00 0.00 0.00 0.00 60.65 58.24 2cr4 s ILE 75 Cb -0.50 -4.49 0.13 0.00 0.01 0.00 0.00 42.46 37.61 2cr4 s ILE 75 CO 0.33 -1.11 1.10 -0.36 0.00 0.00 0.00 174.94 174.90 2cr4 s PHE 76 N -0.64 2.40 -0.27 3.97 0.08 -0.57 -4.41 117.98 118.54 2cr4 s PHE 76 Ca 0.25 1.14 0.01 0.00 0.12 0.00 0.00 56.93 58.44 2cr4 s PHE 76 Cb -0.10 -3.20 0.08 0.00 -0.57 0.00 0.00 43.02 39.23 2cr4 s PHE 76 CO -0.08 -2.37 0.00 -2.00 -0.10 0.00 0.00 175.22 170.67 2cr4 s GLU 77 N -5.02 1.34 -0.04 0.44 2.12 -1.26 -2.12 118.70 114.15 2cr4 s GLU 77 Ca 0.63 -1.12 0.04 0.00 0.36 0.00 0.00 54.97 54.88 2cr4 s GLU 77 Cb -0.17 -2.54 -0.00 0.00 0.26 0.00 0.00 34.13 31.68 2cr4 s GLU 77 CO 0.56 -0.74 -0.17 0.21 -0.54 0.00 0.00 175.26 174.58 2cr4 s LYS 78 N 1.39 1.75 -1.14 4.30 2.20 -0.77 -4.74 119.74 122.73 2cr4 s LYS 78 Ca 0.01 -0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 54.96 2cr4 s LYS 78 Cb -0.18 -1.52 0.05 0.00 -1.51 0.00 0.00 37.83 34.66 2cr4 s LYS 78 CO -0.11 0.23 0.32 -0.25 -0.36 0.00 0.00 175.35 175.19 2cr4 n ASP 79 N 3.17 -3.56 -1.97 1.43 9.92 -1.26 0.76 116.55 125.04 2cr4 n ASP 79 Ca -0.18 -0.17 -0.16 0.00 -0.53 0.00 0.00 54.79 53.75 2cr4 n ASP 79 Cb 0.53 -2.99 0.01 0.00 -0.64 0.00 0.00 41.12 38.03 2cr4 n ASP 79 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2cr4 n SER 80 N -2.10 -4.72 -3.70 -2.24 7.64 -1.26 -5.00 113.62 102.24 2cr4 n SER 80 Ca -0.05 -0.10 -0.18 0.00 1.01 0.00 0.00 58.87 59.55 2cr4 n SER 80 Cb 0.56 -3.73 -0.17 0.00 -1.01 0.00 0.00 64.21 59.86 2cr4 n SER 80 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cr4 s LYS 81 N -5.04 -0.04 0.27 1.43 1.02 0.23 -4.57 119.74 113.04 2cr4 s LYS 81 Ca 0.10 0.37 -0.30 0.00 0.02 0.00 0.00 55.97 56.16 2cr4 s LYS 81 Cb -0.04 -0.39 -0.10 0.00 -0.52 0.00 0.00 37.83 36.78 2cr4 s LYS 81 CO 0.12 -0.28 1.35 -0.06 -0.92 0.00 0.00 175.35 175.56 2cr4 s PHE 82 N 1.89 3.11 0.09 3.18 0.08 -0.39 -1.85 117.98 124.09 2cr4 s PHE 82 Ca 0.01 1.24 -0.11 0.00 0.12 0.00 0.00 56.93 58.19 2cr4 s PHE 82 Cb -0.12 -3.69 0.01 0.00 -0.57 0.00 0.00 43.02 38.64 2cr4 s PHE 82 CO -0.04 -2.10 0.25 1.52 -0.10 0.00 0.00 175.22 174.76 2cr4 s TYR 83 N -0.42 0.03 0.00 0.36 -0.85 -0.90 0.50 117.35 116.08 2cr4 s TYR 83 Ca 0.54 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.70 2cr4 s TYR 83 Cb -0.39 0.04 0.00 0.00 0.38 0.00 0.00 41.96 41.98 2cr4 s TYR 83 CO 0.45 -0.57 0.00 1.28 -1.52 0.00 0.00 175.55 175.19 2cr4 n LEU 84 N -0.00 0.00 -0.10 -3.49 4.77 -1.26 -1.52 117.00 115.40 2cr4 n LEU 84 Ca -0.16 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.62 2cr4 n LEU 84 Cb 0.62 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 2cr4 n LEU 84 CO 0.21 0.00 -1.17 -1.84 -1.33 0.00 0.00 177.39 173.26 2cr4 n GLU 85 N -1.41 0.43 0.00 3.23 0.00 -1.26 -4.92 120.64 116.70 2cr4 n GLU 85 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.33 2cr4 n GLU 85 Cb 0.02 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.22 2cr4 n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2cr4 n GLY 86 N 1.91 1.56 0.19 -1.84 0.00 -1.26 -4.90 105.19 100.85 2cr4 n GLY 86 Ca -0.38 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.40 2cr4 n GLY 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2cr4 h GLU 87 N 0.00 0.00 -4.30 1.61 4.11 -2.01 -3.39 114.58 110.60 2cr4 h GLU 87 Ca 0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.36 58.69 2cr4 h GLU 87 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 2cr4 h GLU 87 CO 0.00 0.38 -0.20 0.08 0.07 0.00 0.00 179.01 179.34 2cr4 s VAL 88 N -4.00 5.15 0.34 -1.06 1.01 -1.26 -5.04 120.40 115.54 2cr4 s VAL 88 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2cr4 s VAL 88 Cb 0.13 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2cr4 s VAL 88 CO 0.71 -0.78 0.02 0.18 0.00 0.00 0.00 175.10 175.22 2cr4 n LEU 89 N 5.42 0.00 -3.50 3.92 4.32 -1.26 -4.14 117.00 121.76 2cr4 n LEU 89 Ca -0.12 -2.12 -0.09 0.00 -0.02 0.00 0.00 56.01 53.66 2cr4 n LEU 89 Cb 0.42 0.22 -0.09 0.00 -1.62 0.00 0.00 43.42 42.35 2cr4 n LEU 89 CO 0.52 -0.31 -0.03 -0.36 -1.22 0.00 0.00 177.39 175.99 2cr4 s PHE 90 N -2.20 -0.77 0.32 -1.77 0.40 0.18 -4.93 117.98 109.21 2cr4 s PHE 90 Ca 0.01 1.12 0.24 0.00 -0.60 0.00 0.00 56.93 57.70 2cr4 s PHE 90 Cb -0.00 0.13 1.09 0.00 0.51 0.00 0.00 43.02 44.75 2cr4 s PHE 90 CO 0.01 -0.59 1.13 1.55 0.70 0.00 0.00 175.22 178.02 2cr4 n VAL 91 N 5.37 -0.18 -3.94 -0.44 3.14 -1.26 -1.26 118.33 119.77 2cr4 n VAL 91 Ca -0.06 1.30 -0.09 0.00 -2.96 0.00 0.00 64.34 62.54 2cr4 n VAL 91 Cb 0.50 -2.14 -0.08 0.00 -1.06 0.00 0.00 33.84 31.06 2cr4 n VAL 91 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2cr4 s SER 92 N -4.34 0.17 0.18 6.55 0.01 -1.26 -4.52 113.70 110.49 2cr4 s SER 92 Ca -0.05 -0.81 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 2cr4 s SER 92 Cb 0.22 0.34 0.12 0.00 0.21 0.00 0.00 66.02 66.91 2cr4 s SER 92 CO 0.60 -0.75 1.81 0.58 0.41 0.00 0.00 173.24 175.89 2cr4 h VAL 93 N 2.76 1.04 -0.11 3.43 2.07 -1.95 -3.03 116.25 120.46 2cr4 h VAL 93 Ca -0.34 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2cr4 h VAL 93 Cb 1.20 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2cr4 h VAL 93 CO 0.56 0.11 -0.17 1.23 0.02 0.00 0.00 177.57 179.32 2cr4 h GLY 94 N 0.62 -1.63 -0.58 2.17 0.00 -1.94 -0.43 103.07 101.28 2cr4 h GLY 94 Ca 0.22 0.79 0.24 0.00 0.00 0.00 0.00 47.33 48.57 2cr4 h GLY 94 CO -0.11 -0.54 0.16 1.76 0.00 0.00 0.00 176.54 177.81 2cr4 h SER 95 N -0.13 -0.16 0.34 0.19 0.02 -1.94 -0.05 113.55 111.83 2cr4 h SER 95 Ca 0.02 0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2cr4 h SER 95 Cb 0.19 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2cr4 h SER 95 CO -0.18 -0.22 -0.39 -0.03 -1.14 0.00 0.00 176.83 174.88 2cr4 h MET 96 N 0.13 -0.74 -0.78 3.45 4.05 -1.11 -0.68 114.93 119.25 2cr4 h MET 96 Ca 0.55 0.05 0.17 0.00 -0.28 0.00 0.00 59.70 60.19 2cr4 h MET 96 Cb 1.12 0.17 -0.11 0.00 -0.80 0.00 0.00 31.60 31.98 2cr4 h MET 96 CO -0.72 -0.49 0.26 0.28 0.23 0.00 0.00 176.91 176.46 2cr4 h VAL 97 N -0.77 0.54 0.00 -5.77 2.07 0.53 0.46 116.25 113.31 2cr4 h VAL 97 Ca -0.02 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2cr4 h VAL 97 Cb 0.70 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2cr4 h VAL 97 CO -0.09 0.06 -0.22 -0.33 0.02 0.00 0.00 177.57 177.01 2cr4 h GLU 98 N 0.35 0.00 -0.08 1.57 5.08 -0.85 -1.40 114.58 119.25 2cr4 h GLU 98 Ca 0.45 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.71 2cr4 h GLU 98 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2cr4 h GLU 98 CO -0.49 0.22 -0.33 1.25 -1.00 0.00 0.00 179.01 178.66 2cr4 h HIS 99 N 0.00 0.47 0.00 4.33 2.76 0.14 -3.21 115.15 119.64 2cr4 h HIS 99 Ca -0.00 -0.20 -0.08 0.00 -2.20 0.00 0.00 60.37 57.88 2cr4 h HIS 99 Cb 0.42 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2cr4 h HIS 99 CO 0.00 0.94 -0.38 1.88 -1.30 0.00 0.00 177.93 179.07 2cr4 h TYR 100 N -0.13 0.00 -1.07 5.26 0.05 -0.92 -2.47 116.97 117.70 2cr4 h TYR 100 Ca -0.02 0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.07 2cr4 h TYR 100 Cb 0.97 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.67 2cr4 h TYR 100 CO 0.13 0.38 1.12 0.45 -1.05 0.00 0.00 178.16 179.18 2cr4 h HIS 101 N 0.00 0.00 0.00 4.88 3.86 -1.26 0.69 115.15 123.32 2cr4 h HIS 101 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2cr4 h HIS 101 Cb 0.69 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 2cr4 h HIS 101 CO 0.00 0.00 -1.10 -2.37 0.86 0.00 0.00 177.93 175.32 2cr4 n THR 102 N -3.44 0.08 -3.50 2.45 5.66 -1.12 -4.82 114.28 109.59 2cr4 n THR 102 Ca 0.24 -0.06 -0.42 0.00 -3.05 0.00 0.00 64.05 60.76 2cr4 n THR 102 Cb 1.45 -0.64 -0.07 0.00 -1.55 0.00 0.00 70.33 69.52 2cr4 n THR 102 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2cr4 s HIS 103 N -2.05 3.43 0.45 1.09 4.02 0.23 -5.06 115.29 117.40 2cr4 s HIS 103 Ca -0.01 -1.85 -0.21 0.00 1.02 0.00 0.00 55.06 54.01 2cr4 s HIS 103 Cb 0.01 -3.56 -0.13 0.00 -1.02 0.00 0.00 32.58 27.87 2cr4 s HIS 103 CO 0.06 -0.99 0.27 1.55 1.02 0.00 0.00 174.74 176.66 2cr4 n VAL 104 N 4.76 1.16 -1.76 -0.90 3.14 -1.25 -4.31 118.33 119.16 2cr4 n VAL 104 Ca -0.05 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.49 2cr4 n VAL 104 Cb 0.41 -0.28 0.05 0.00 -1.06 0.00 0.00 33.84 32.96 2cr4 n VAL 104 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2cr4 s LEU 105 N 3.06 3.41 0.66 6.55 1.43 -0.44 -4.94 118.68 128.41 2cr4 s LEU 105 Ca 0.62 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 55.61 2cr4 s LEU 105 Cb -0.58 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.09 2cr4 s LEU 105 CO 0.60 -1.66 1.11 -2.16 0.23 0.00 0.00 176.35 174.47 2cr4 s PRO 106 N -4.02 2.80 -0.68 1.29 0.04 -1.26 -3.60 135.00 129.56 2cr4 s PRO 106 Ca 0.68 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2cr4 s PRO 106 Cb -0.22 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2cr4 s PRO 106 CO 0.41 -1.25 0.00 0.43 0.04 0.00 0.00 177.00 176.62 2cr4 n SER 107 N -2.43 -3.25 -3.90 6.66 7.64 -1.26 -5.00 113.62 112.07 2cr4 n SER 107 Ca 0.10 0.08 -0.09 0.00 1.01 0.00 0.00 58.87 59.98 2cr4 n SER 107 Cb 0.52 -2.00 -0.04 0.00 -1.01 0.00 0.00 64.21 61.68 2cr4 n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2cr4 s HIS 108 N -2.31 0.24 0.00 1.43 5.04 -1.24 -5.12 115.29 113.34 2cr4 s HIS 108 Ca 0.00 -0.63 0.00 0.00 -1.54 0.00 0.00 55.06 52.89 2cr4 s HIS 108 Cb 0.00 0.33 0.00 0.00 0.04 0.00 0.00 32.58 32.95 2cr4 s HIS 108 CO 0.00 -1.08 0.00 0.00 -2.34 0.00 0.00 174.74 171.32 2cr4 n GLN 109 N -0.41 0.00 -2.63 2.88 0.00 -1.26 -4.79 117.38 111.17 2cr4 n GLN 109 Ca -0.02 0.17 -0.10 0.00 0.00 0.00 0.00 57.00 57.05 2cr4 n GLN 109 Cb 0.61 -0.66 0.03 0.00 0.00 0.00 0.00 30.24 30.22 2cr4 n GLN 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2cr4 n SER 110 N -1.03 2.33 -4.58 2.61 2.88 -1.26 -4.90 113.62 109.67 2cr4 n SER 110 Ca 0.00 -2.71 -0.43 0.00 -1.33 0.00 0.00 58.87 54.41 2cr4 n SER 110 Cb 0.00 -0.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.96 2cr4 n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2cr4 s LEU 111 N -3.49 3.65 0.37 2.46 2.96 -1.26 -4.94 118.68 118.43 2cr4 s LEU 111 Ca 0.33 0.22 0.08 0.00 -0.22 0.00 0.00 54.13 54.54 2cr4 s LEU 111 Cb 0.39 -3.30 -0.07 0.00 0.50 0.00 0.00 46.19 43.71 2cr4 s LEU 111 CO -0.02 -1.31 -0.01 -0.76 -1.32 0.00 0.00 176.35 172.93 2cr4 s LEU 112 N 4.52 2.87 -0.56 -0.68 1.43 -1.26 -1.33 118.68 123.67 2cr4 s LEU 112 Ca 0.43 -1.20 -0.21 0.00 -1.03 0.00 0.00 54.13 52.13 2cr4 s LEU 112 Cb -0.08 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.11 2cr4 s LEU 112 CO 0.28 -0.33 0.79 -0.76 0.23 0.00 0.00 176.35 176.56 2cr4 s LEU 113 N -3.70 4.69 -0.16 1.79 1.43 -1.26 -4.50 118.68 116.98 2cr4 s LEU 113 Ca 0.35 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2cr4 s LEU 113 Cb 0.04 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2cr4 s LEU 113 CO 0.18 -1.13 -0.27 0.54 0.23 0.00 0.00 176.35 175.90 2cr4 n ARG 114 N 6.85 0.48 -4.74 1.70 1.74 -1.23 -4.72 116.66 116.74 2cr4 n ARG 114 Ca -0.04 0.33 -0.25 0.00 -0.77 0.00 0.00 57.85 57.11 2cr4 n ARG 114 Cb 0.45 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.24 2cr4 n ARG 114 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2cr4 s HIS 115 N -2.57 1.59 1.24 -1.55 3.76 -1.24 -5.02 115.29 111.50 2cr4 s HIS 115 Ca -0.22 -0.49 -0.21 0.00 -0.15 0.00 0.00 55.06 53.99 2cr4 s HIS 115 Cb 0.03 -1.09 0.30 0.00 1.11 0.00 0.00 32.58 32.93 2cr4 s HIS 115 CO 0.33 -0.19 1.11 -1.25 -0.85 0.00 0.00 174.74 173.89 2cr4 s PRO 116 N 0.20 -1.54 0.16 8.40 0.04 -1.26 -1.75 135.00 139.25 2cr4 s PRO 116 Ca -0.07 -0.18 -0.05 0.00 0.04 0.00 0.00 61.00 60.74 2cr4 s PRO 116 Cb -0.12 -1.57 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 2cr4 s PRO 116 CO 0.03 -3.90 0.41 -0.47 0.04 0.00 0.00 177.00 173.11 2cr4 s TYR 117 N -3.01 3.46 0.00 0.56 5.04 0.51 -4.37 117.35 119.53 2cr4 s TYR 117 Ca 0.72 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 2cr4 s TYR 117 Cb -0.08 -2.05 0.00 0.00 0.35 0.00 0.00 41.96 40.18 2cr4 s TYR 117 CO 0.56 0.39 0.00 0.41 -1.34 0.00 0.00 175.55 175.57 2cr4 n GLY 118 N -0.01 1.36 3.69 8.97 0.00 -1.26 -2.79 105.19 115.14 2cr4 n GLY 118 Ca -0.02 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 2cr4 n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2cr4 n TYR 119 N 0.00 2.47 0.00 1.61 4.19 -1.26 -4.92 117.16 119.24 2cr4 n TYR 119 Ca 0.00 0.15 0.00 0.00 3.31 0.00 0.00 57.90 61.36 2cr4 n TYR 119 Cb 0.00 -2.60 0.00 0.00 0.49 0.00 0.00 39.34 37.23 2cr4 n TYR 119 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 2cr4 n THR 120 N 3.74 0.00 -3.47 2.97 -1.04 -1.26 -4.83 114.28 110.40 2cr4 n THR 120 Ca 0.17 1.27 0.01 0.00 -2.04 0.00 0.00 64.05 63.46 2cr4 n THR 120 Cb 0.31 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 66.82 2cr4 n THR 120 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2cr4 s SER 121 N -2.61 -0.76 0.00 8.00 0.15 -1.26 -5.09 113.70 112.13 2cr4 s SER 121 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2cr4 s SER 121 Cb 0.00 1.86 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 2cr4 s SER 121 CO 0.00 -0.14 0.41 0.61 1.20 0.00 0.00 173.24 175.31 2cr4 n GLY 122 N 5.13 -2.59 3.69 9.45 0.00 -1.26 -4.22 105.19 115.39 2cr4 n GLY 122 Ca -0.10 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 2cr4 n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr4 s PRO 123 N -1.29 4.26 0.30 1.61 0.04 -1.26 -5.02 135.00 133.64 2cr4 s PRO 123 Ca 0.00 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.15 2cr4 s PRO 123 Cb 0.00 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 2cr4 s PRO 123 CO 0.00 -0.62 0.09 0.45 0.04 0.00 0.00 177.00 176.96 2cr4 s SER 124 N 2.03 4.71 -0.03 6.66 0.15 -1.26 -5.14 113.70 120.83 2cr4 s SER 124 Ca 0.66 -0.67 -0.30 0.00 0.70 0.00 0.00 55.95 56.34 2cr4 s SER 124 Cb -0.32 -0.84 0.11 0.00 -1.71 0.00 0.00 66.02 63.25 2cr4 s SER 124 CO 0.27 -0.15 1.06 -0.55 1.20 0.00 0.00 173.24 175.07 2cr4 s SER 125 N -3.78 -0.21 0.00 5.45 0.15 -1.26 -5.24 113.70 108.81 2cr4 s SER 125 Ca 0.35 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2cr4 s SER 125 Cb -0.05 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2cr4 s SER 125 CO 0.22 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.76